drug disease epistemic_status gap_score max_jaccard similar_drug gene_link loop_suggestion etidronic_acid pagets_disease_of_bone GAP_HIGH 0.5215 1.0 clodronate High-priority: Binding assay etidronic_acid→?; validate in pagets_disease_of_bone cell model. Expected: similar to clodronate (Jaccard=1.00) etidronic_acid osteoporosis GAP_HIGH 0.4673 1.0 clodronate High-priority: Binding assay etidronic_acid→?; validate in osteoporosis cell model. Expected: similar to clodronate (Jaccard=1.00) solifenacin rheumatoid_arthritis GAP_HIGH 0.4347 1.0 labetalol High-priority: Binding assay solifenacin→?; validate in rheumatoid_arthritis cell model. Expected: similar to labetalol (Jaccard=1.00) latanoprost glaucoma GAP_HIGH 0.4123 1.0 tafluprost High-priority: Binding assay latanoprost→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=1.00) baclofen larynx_cancer GAP_HIGH 0.4029 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen glaucoma GAP_HIGH 0.3998 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen intracranial_aneurysm GAP_HIGH 0.3996 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen head_and_neck_cancer GAP_HIGH 0.3987 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen malignant_glioma GAP_HIGH 0.3987 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen refractive_error GAP_HIGH 0.3985 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen germ_cell_cancer GAP_HIGH 0.3966 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen penile_cancer GAP_HIGH 0.396 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen meningioma GAP_HIGH 0.3952 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen mediastinal_cancer GAP_HIGH 0.3943 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen thymus_cancer GAP_HIGH 0.3942 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen melanoma GAP_HIGH 0.3932 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen pharynx_cancer GAP_HIGH 0.3925 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen thyroid_cancer GAP_HIGH 0.3923 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen pancreatitis GAP_HIGH 0.3919 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen salivary_gland_cancer GAP_HIGH 0.3919 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen muscle_cancer GAP_HIGH 0.3918 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen ocular_cancer GAP_HIGH 0.3916 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen rectum_cancer GAP_HIGH 0.3916 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen liver_cancer GAP_HIGH 0.3915 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen peripheral_nervous_system_neoplasm GAP_HIGH 0.3913 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen urinary_bladder_cancer GAP_HIGH 0.3913 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen hypertension GAP_HIGH 0.3908 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in hypertension cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen stomach_cancer GAP_HIGH 0.3908 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen pancreatic_cancer GAP_HIGH 0.3907 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen ulcerative_colitis GAP_HIGH 0.3906 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in ulcerative_colitis cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen uterine_cancer GAP_HIGH 0.3906 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen ovarian_cancer GAP_HIGH 0.3905 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen sarcoma GAP_HIGH 0.3905 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in sarcoma cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen metabolic_syndrome_x GAP_HIGH 0.3902 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in metabolic_syndrome_x cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen skin_cancer GAP_HIGH 0.3901 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in skin_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen vaginal_cancer GAP_HIGH 0.39 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen vulva_cancer GAP_HIGH 0.39 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen testicular_cancer GAP_HIGH 0.3899 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen obesity GAP_HIGH 0.3898 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in obesity cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen vascular_cancer GAP_HIGH 0.3898 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen uterine_fibroid GAP_HIGH 0.3895 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen polycystic_ovary_syndrome GAP_HIGH 0.3892 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen type_2_diabetes_mellitus GAP_HIGH 0.3892 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to procarbazine (Jaccard=1.00) baclofen vitiligo GAP_HIGH 0.3891 1.0 procarbazine High-priority: Binding assay baclofen→?; validate in vitiligo cell model. Expected: similar to procarbazine (Jaccard=1.00) labetalol hypertension GAP_HIGH 0.3821 1.0 solifenacin High-priority: Binding assay labetalol→?; validate in hypertension cell model. Expected: similar to solifenacin (Jaccard=1.00) remifentanil narcolepsy GAP_HIGH 0.3744 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in narcolepsy cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil epilepsy_syndrome GAP_HIGH 0.3725 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in epilepsy_syndrome cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil panic_disorder GAP_HIGH 0.3713 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in panic_disorder cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil obesity GAP_HIGH 0.3702 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in obesity cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil systemic_scleroderma GAP_HIGH 0.37 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in systemic_scleroderma cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil polycystic_ovary_syndrome GAP_HIGH 0.3696 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil type_2_diabetes_mellitus GAP_HIGH 0.3696 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to milnacipran (Jaccard=1.00) remifentanil vitiligo GAP_HIGH 0.3695 1.0 milnacipran High-priority: Binding assay remifentanil→?; validate in vitiligo cell model. Expected: similar to milnacipran (Jaccard=1.00) alcaftadine creutzfeldt-jakob_disease GAP_HIGH 0.3663 1.0 cyproheptadine High-priority: Binding assay alcaftadine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=1.00) mephentermine creutzfeldt-jakob_disease GAP_HIGH 0.3655 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to selegiline (Jaccard=1.00) alcaftadine parkinsons_disease GAP_HIGH 0.365 1.0 cyproheptadine High-priority: Binding assay alcaftadine→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=1.00) alcaftadine amyotrophic_lateral_sclerosis GAP_HIGH 0.3649 1.0 cyproheptadine High-priority: Binding assay alcaftadine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=1.00) alcaftadine colon_cancer GAP_HIGH 0.3644 1.0 cyproheptadine High-priority: Binding assay alcaftadine→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=1.00) alcaftadine ovarian_cancer GAP_HIGH 0.3641 1.0 cyproheptadine High-priority: Binding assay alcaftadine→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=1.00) mephentermine amyotrophic_lateral_sclerosis GAP_HIGH 0.3641 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to selegiline (Jaccard=1.00) alcaftadine vulva_cancer GAP_HIGH 0.3635 1.0 loratadine High-priority: Binding assay alcaftadine→?; validate in vulva_cancer cell model. Expected: similar to loratadine (Jaccard=1.00) mephentermine hypertension GAP_HIGH 0.3635 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in hypertension cell model. Expected: similar to selegiline (Jaccard=1.00) alcaftadine vascular_cancer GAP_HIGH 0.3633 1.0 loratadine High-priority: Binding assay alcaftadine→?; validate in vascular_cancer cell model. Expected: similar to loratadine (Jaccard=1.00) mephentermine multiple_sclerosis GAP_HIGH 0.3632 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in multiple_sclerosis cell model. Expected: similar to selegiline (Jaccard=1.00) alcaftadine uterine_fibroid GAP_HIGH 0.363 1.0 loratadine High-priority: Binding assay alcaftadine→?; validate in uterine_fibroid cell model. Expected: similar to loratadine (Jaccard=1.00) mephentermine metabolic_syndrome_x GAP_HIGH 0.3628 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in metabolic_syndrome_x cell model. Expected: similar to selegiline (Jaccard=1.00) mephentermine obesity GAP_HIGH 0.3624 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in obesity cell model. Expected: similar to selegiline (Jaccard=1.00) mephentermine type_2_diabetes_mellitus GAP_HIGH 0.3619 1.0 selegiline High-priority: Binding assay mephentermine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to selegiline (Jaccard=1.00) eprosartan epilepsy_syndrome GAP_HIGH 0.3618 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in epilepsy_syndrome cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan schizophrenia GAP_HIGH 0.3606 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in schizophrenia cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan bipolar_disorder GAP_HIGH 0.3604 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in bipolar_disorder cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan psoriasis GAP_HIGH 0.3603 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in psoriasis cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan ulcerative_colitis GAP_HIGH 0.3603 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in ulcerative_colitis cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan multiple_sclerosis GAP_HIGH 0.3602 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in multiple_sclerosis cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan systemic_lupus_erythematosus GAP_HIGH 0.3599 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to telmisartan (Jaccard=1.00) ritodrine systemic_lupus_erythematosus GAP_HIGH 0.3599 1.0 arformoterol High-priority: Binding assay ritodrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to arformoterol (Jaccard=1.00) eprosartan osteoarthritis GAP_HIGH 0.3597 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in osteoarthritis cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan skin_cancer GAP_HIGH 0.3597 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in skin_cancer cell model. Expected: similar to telmisartan (Jaccard=1.00) ritodrine skin_cancer GAP_HIGH 0.3597 1.0 arformoterol High-priority: Binding assay ritodrine→?; validate in skin_cancer cell model. Expected: similar to arformoterol (Jaccard=1.00) eprosartan systemic_scleroderma GAP_HIGH 0.3593 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in systemic_scleroderma cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan restless_legs_syndrome GAP_HIGH 0.3589 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in restless_legs_syndrome cell model. Expected: similar to telmisartan (Jaccard=1.00) eprosartan vitiligo GAP_HIGH 0.3588 1.0 telmisartan High-priority: Binding assay eprosartan→?; validate in vitiligo cell model. Expected: similar to telmisartan (Jaccard=1.00) ritodrine rheumatoid_arthritis GAP_HIGH 0.3585 1.0 arformoterol High-priority: Binding assay ritodrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to arformoterol (Jaccard=1.00) loratadine creutzfeldt-jakob_disease GAP_HIGH 0.3579 1.0 cyproheptadine High-priority: Binding assay loratadine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=1.00) loratadine epilepsy_syndrome GAP_HIGH 0.3573 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine alzheimers_disease GAP_HIGH 0.3566 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine parkinsons_disease GAP_HIGH 0.3566 1.0 cyproheptadine High-priority: Binding assay loratadine→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=1.00) loratadine amyotrophic_lateral_sclerosis GAP_HIGH 0.3565 1.0 cyproheptadine High-priority: Binding assay loratadine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=1.00) loratadine autistic_disorder GAP_HIGH 0.3565 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine nicotine_dependence GAP_HIGH 0.3565 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine attention_deficit_hyperactivity_disorder GAP_HIGH 0.3563 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine asthma GAP_HIGH 0.356 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine breast_cancer GAP_HIGH 0.356 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine conduct_disorder GAP_HIGH 0.356 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine panic_disorder GAP_HIGH 0.356 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine schizophrenia GAP_HIGH 0.356 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine allergic_rhinitis GAP_HIGH 0.3559 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine atopic_dermatitis GAP_HIGH 0.3559 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in atopic_dermatitis cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine colon_cancer GAP_HIGH 0.3559 1.0 cyproheptadine High-priority: Binding assay loratadine→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=1.00) loratadine hypertension GAP_HIGH 0.3559 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine bipolar_disorder GAP_HIGH 0.3558 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine endogenous_depression GAP_HIGH 0.3558 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine multiple_sclerosis GAP_HIGH 0.3557 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine osteoporosis GAP_HIGH 0.3557 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in osteoporosis cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine ovarian_cancer GAP_HIGH 0.3557 1.0 cyproheptadine High-priority: Binding assay loratadine→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=1.00) loratadine migraine GAP_HIGH 0.3556 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine osteoarthritis GAP_HIGH 0.3552 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in osteoarthritis cell model. Expected: similar to alcaftadine (Jaccard=1.00) loratadine restless_legs_syndrome GAP_HIGH 0.3544 1.0 alcaftadine High-priority: Binding assay loratadine→?; validate in restless_legs_syndrome cell model. Expected: similar to alcaftadine (Jaccard=1.00) esmolol larynx_cancer GAP_HIGH 0.3498 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) telbivudine hepatitis_b GAP_HIGH 0.3474 0.6 pentostatin High-priority: Binding assay telbivudine→?; validate in hepatitis_b cell model. Expected: similar to pentostatin (Jaccard=0.60) milnacipran gilles_de_la_tourette_syndrome GAP_HIGH 0.3469 1.0 remifentanil High-priority: Binding assay milnacipran→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=1.00) esmolol glaucoma GAP_HIGH 0.3467 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol intracranial_aneurysm GAP_HIGH 0.3464 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol head_and_neck_cancer GAP_HIGH 0.3456 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol malignant_glioma GAP_HIGH 0.3456 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol refractive_error GAP_HIGH 0.3454 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol germ_cell_cancer GAP_HIGH 0.3435 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) quazepam chronic_kidney_failure GAP_HIGH 0.3434 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide chronic_kidney_failure GAP_HIGH 0.3431 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in chronic_kidney_failure cell model. Expected: similar to quinethazone (Jaccard=0.73) esmolol penile_cancer GAP_HIGH 0.3429 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol meningioma GAP_HIGH 0.3421 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=1.00) arformoterol azoospermia GAP_HIGH 0.342 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=1.00) esmolol mediastinal_cancer GAP_HIGH 0.3412 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol thymus_cancer GAP_HIGH 0.3411 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) pentostatin acquired_immunodeficiency_syndrome GAP_HIGH 0.3411 0.6666666666666666 emtricitabine High-priority: Binding assay pentostatin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to emtricitabine (Jaccard=0.67) esmolol melanoma GAP_HIGH 0.3401 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol pharynx_cancer GAP_HIGH 0.3394 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) quazepam coronary_artery_disease GAP_HIGH 0.3392 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in coronary_artery_disease cell model. Expected: similar to cinolazepam (Jaccard=0.83) esmolol thyroid_cancer GAP_HIGH 0.3391 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) arformoterol narcolepsy GAP_HIGH 0.3389 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in narcolepsy cell model. Expected: similar to ritodrine (Jaccard=1.00) esmolol pancreatitis GAP_HIGH 0.3388 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol salivary_gland_cancer GAP_HIGH 0.3388 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol muscle_cancer GAP_HIGH 0.3386 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol ocular_cancer GAP_HIGH 0.3385 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol rectum_cancer GAP_HIGH 0.3385 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol liver_cancer GAP_HIGH 0.3384 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol peripheral_nervous_system_neoplasm GAP_HIGH 0.3382 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol urinary_bladder_cancer GAP_HIGH 0.3382 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol hypertension GAP_HIGH 0.3377 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in hypertension cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol stomach_cancer GAP_HIGH 0.3377 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol pancreatic_cancer GAP_HIGH 0.3376 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol ulcerative_colitis GAP_HIGH 0.3375 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in ulcerative_colitis cell model. Expected: similar to procarbazine (Jaccard=1.00) milnacipran atopic_dermatitis GAP_HIGH 0.3375 1.0 remifentanil High-priority: Binding assay milnacipran→?; validate in atopic_dermatitis cell model. Expected: similar to remifentanil (Jaccard=1.00) milnacipran breast_cancer GAP_HIGH 0.3375 1.0 remifentanil High-priority: Binding assay milnacipran→?; validate in breast_cancer cell model. Expected: similar to remifentanil (Jaccard=1.00) quazepam ankylosing_spondylitis GAP_HIGH 0.3375 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in ankylosing_spondylitis cell model. Expected: similar to cinolazepam (Jaccard=0.83) esmolol ovarian_cancer GAP_HIGH 0.3374 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol sarcoma GAP_HIGH 0.3374 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in sarcoma cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol uterine_cancer GAP_HIGH 0.3374 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) milnacipran migraine GAP_HIGH 0.3372 1.0 remifentanil High-priority: Binding assay milnacipran→?; validate in migraine cell model. Expected: similar to remifentanil (Jaccard=1.00) arformoterol chronic_obstructive_pulmonary_disease GAP_HIGH 0.3371 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ritodrine (Jaccard=1.00) esmolol skin_cancer GAP_HIGH 0.337 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in skin_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) polythiazide epilepsy_syndrome GAP_HIGH 0.337 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in epilepsy_syndrome cell model. Expected: similar to quinethazone (Jaccard=0.73) esmolol vaginal_cancer GAP_HIGH 0.3369 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol vulva_cancer GAP_HIGH 0.3369 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) esmolol testicular_cancer GAP_HIGH 0.3368 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) polythiazide salivary_gland_cancer GAP_HIGH 0.3368 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in salivary_gland_cancer cell model. Expected: similar to quinethazone (Jaccard=0.73) esmolol vascular_cancer GAP_HIGH 0.3367 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) quazepam alzheimers_disease GAP_HIGH 0.3367 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in alzheimers_disease cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam amyotrophic_lateral_sclerosis GAP_HIGH 0.3366 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam autistic_disorder GAP_HIGH 0.3366 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in autistic_disorder cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam nicotine_dependence GAP_HIGH 0.3366 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in nicotine_dependence cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam parkinsons_disease GAP_HIGH 0.3366 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in parkinsons_disease cell model. Expected: similar to cinolazepam (Jaccard=0.83) esmolol uterine_fibroid GAP_HIGH 0.3364 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=1.00) polythiazide parkinsons_disease GAP_HIGH 0.3364 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in parkinsons_disease cell model. Expected: similar to quinethazone (Jaccard=0.73) pentostatin lymphatic_system_cancer GAP_HIGH 0.3364 0.6666666666666666 emtricitabine High-priority: Binding assay pentostatin→?; validate in lymphatic_system_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.67) telbivudine pharynx_cancer GAP_HIGH 0.3364 0.6 pentostatin High-priority: Binding assay telbivudine→?; validate in pharynx_cancer cell model. Expected: similar to pentostatin (Jaccard=0.60) quazepam attention_deficit_hyperactivity_disorder GAP_HIGH 0.3363 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide amyotrophic_lateral_sclerosis GAP_HIGH 0.3363 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.73) polythiazide autistic_disorder GAP_HIGH 0.3363 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in autistic_disorder cell model. Expected: similar to quinethazone (Jaccard=0.73) arformoterol attention_deficit_hyperactivity_disorder GAP_HIGH 0.3361 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ritodrine (Jaccard=1.00) quazepam schizophrenia GAP_HIGH 0.3361 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in schizophrenia cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide peripheral_nervous_system_neoplasm GAP_HIGH 0.3361 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to quinethazone (Jaccard=0.73) esmolol vitiligo GAP_HIGH 0.336 1.0 procarbazine High-priority: Binding assay esmolol→?; validate in vitiligo cell model. Expected: similar to procarbazine (Jaccard=1.00) quazepam asthma GAP_HIGH 0.336 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in asthma cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam atopic_dermatitis GAP_HIGH 0.336 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in atopic_dermatitis cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam colon_cancer GAP_HIGH 0.336 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in colon_cancer cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam conduct_disorder GAP_HIGH 0.336 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in conduct_disorder cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam hypertension GAP_HIGH 0.336 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in hypertension cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam allergic_rhinitis GAP_HIGH 0.3359 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in allergic_rhinitis cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam bipolar_disorder GAP_HIGH 0.3359 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in bipolar_disorder cell model. Expected: similar to cinolazepam (Jaccard=0.83) arformoterol asthma GAP_HIGH 0.3358 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in asthma cell model. Expected: similar to ritodrine (Jaccard=1.00) quazepam endogenous_depression GAP_HIGH 0.3358 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in endogenous_depression cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide panic_disorder GAP_HIGH 0.3358 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in panic_disorder cell model. Expected: similar to quinethazone (Jaccard=0.73) polythiazide schizophrenia GAP_HIGH 0.3358 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in schizophrenia cell model. Expected: similar to quinethazone (Jaccard=0.73) telbivudine salivary_gland_cancer GAP_HIGH 0.3358 0.6 pentostatin High-priority: Binding assay telbivudine→?; validate in salivary_gland_cancer cell model. Expected: similar to pentostatin (Jaccard=0.60) quazepam multiple_sclerosis GAP_HIGH 0.3357 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in multiple_sclerosis cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam osteoporosis GAP_HIGH 0.3357 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in osteoporosis cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam ovarian_cancer GAP_HIGH 0.3357 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in ovarian_cancer cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide conduct_disorder GAP_HIGH 0.3357 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.73) arformoterol bipolar_disorder GAP_HIGH 0.3356 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in bipolar_disorder cell model. Expected: similar to ritodrine (Jaccard=1.00) polythiazide bipolar_disorder GAP_HIGH 0.3356 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in bipolar_disorder cell model. Expected: similar to quinethazone (Jaccard=0.73) arformoterol endogenous_depression GAP_HIGH 0.3355 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in endogenous_depression cell model. Expected: similar to ritodrine (Jaccard=1.00) glimepiride kidney_cancer GAP_HIGH 0.3355 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in kidney_cancer cell model. Expected: similar to tolazamide (Jaccard=0.78) polythiazide endogenous_depression GAP_HIGH 0.3355 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.73) telbivudine ocular_cancer GAP_HIGH 0.3355 0.6 pentostatin High-priority: Binding assay telbivudine→?; validate in ocular_cancer cell model. Expected: similar to pentostatin (Jaccard=0.60) amobarbital epilepsy_syndrome GAP_HIGH 0.3354 1.0 butethal High-priority: Binding assay amobarbital→?; validate in epilepsy_syndrome cell model. Expected: similar to butethal (Jaccard=1.00) arformoterol migraine GAP_HIGH 0.3354 1.0 ritodrine High-priority: Binding assay arformoterol→?; validate in migraine cell model. Expected: similar to ritodrine (Jaccard=1.00) polythiazide migraine GAP_HIGH 0.3354 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.73) polythiazide multiple_sclerosis GAP_HIGH 0.3354 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in multiple_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.73) polythiazide sarcoma GAP_HIGH 0.3353 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in sarcoma cell model. Expected: similar to quinethazone (Jaccard=0.73) quazepam osteoarthritis GAP_HIGH 0.3352 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in osteoarthritis cell model. Expected: similar to cinolazepam (Jaccard=0.83) telbivudine peripheral_nervous_system_neoplasm GAP_HIGH 0.3352 0.6 pentostatin High-priority: Binding assay telbivudine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pentostatin (Jaccard=0.60) polythiazide skin_cancer GAP_HIGH 0.3349 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in skin_cancer cell model. Expected: similar to quinethazone (Jaccard=0.73) quazepam systemic_scleroderma GAP_HIGH 0.3348 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in systemic_scleroderma cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam restless_legs_syndrome GAP_HIGH 0.3344 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in restless_legs_syndrome cell model. Expected: similar to cinolazepam (Jaccard=0.83) quazepam rheumatoid_arthritis GAP_HIGH 0.3341 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in rheumatoid_arthritis cell model. Expected: similar to cinolazepam (Jaccard=0.83) polythiazide restless_legs_syndrome GAP_HIGH 0.3341 0.7272727272727273 quinethazone High-priority: Binding assay polythiazide→?; validate in restless_legs_syndrome cell model. Expected: similar to quinethazone (Jaccard=0.73) quazepam psoriatic_arthritis GAP_HIGH 0.3339 0.8333333333333334 cinolazepam High-priority: Binding assay quazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to cinolazepam (Jaccard=0.83) nicardipine hypertension GAP_HIGH 0.3327 1.0 nilvadipine High-priority: Binding assay nicardipine→?; validate in hypertension cell model. Expected: similar to nilvadipine (Jaccard=1.00) codeine alcohol_dependence GAP_HIGH 0.3319 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.93) nicardipine systemic_scleroderma GAP_HIGH 0.3315 1.0 amlodipine High-priority: Binding assay nicardipine→?; validate in systemic_scleroderma cell model. Expected: similar to amlodipine (Jaccard=1.00) glimepiride gout GAP_HIGH 0.3311 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in gout cell model. Expected: similar to tolazamide (Jaccard=0.78) glimepiride pancreatic_cancer GAP_HIGH 0.3276 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in pancreatic_cancer cell model. Expected: similar to tolazamide (Jaccard=0.78) glimepiride multiple_sclerosis GAP_HIGH 0.3274 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in multiple_sclerosis cell model. Expected: similar to tolazamide (Jaccard=0.78) nilvadipine systemic_scleroderma GAP_HIGH 0.327 1.0 amlodipine High-priority: Binding assay nilvadipine→?; validate in systemic_scleroderma cell model. Expected: similar to amlodipine (Jaccard=1.00) glimepiride osteoarthritis GAP_HIGH 0.3269 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in osteoarthritis cell model. Expected: similar to tolazamide (Jaccard=0.78) nilvadipine rheumatoid_arthritis GAP_HIGH 0.3264 1.0 amlodipine High-priority: Binding assay nilvadipine→?; validate in rheumatoid_arthritis cell model. Expected: similar to amlodipine (Jaccard=1.00) glimepiride rheumatoid_arthritis GAP_HIGH 0.3258 0.7777777777777778 tolazamide High-priority: Binding assay glimepiride→?; validate in rheumatoid_arthritis cell model. Expected: similar to tolazamide (Jaccard=0.78) amodiaquine kidney_cancer GAP_HIGH 0.325 1.0 quinacrine High-priority: Binding assay amodiaquine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=1.00) solifenacin acquired_immunodeficiency_syndrome GAP_HIGH 0.3248 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.60) pentostatin hematologic_cancer GAP_HIGH 0.3241 0.6666666666666666 emtricitabine High-priority: Binding assay pentostatin→?; validate in hematologic_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.67) tropicamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.3234 0.75 ephedrine High-priority: Binding assay tropicamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.75) tropicamide narcolepsy GAP_HIGH 0.3229 0.75 ephedrine High-priority: Binding assay tropicamide→?; validate in narcolepsy cell model. Expected: similar to ephedrine (Jaccard=0.75) bepotastine epilepsy_syndrome GAP_HIGH 0.3221 1.0 droperidol High-priority: Binding assay bepotastine→?; validate in epilepsy_syndrome cell model. Expected: similar to droperidol (Jaccard=1.00) tropicamide chronic_obstructive_pulmonary_disease GAP_HIGH 0.3211 0.75 ephedrine High-priority: Binding assay tropicamide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ephedrine (Jaccard=0.75) pentostatin multiple_sclerosis GAP_HIGH 0.3206 0.6666666666666666 emtricitabine High-priority: Binding assay pentostatin→?; validate in multiple_sclerosis cell model. Expected: similar to emtricitabine (Jaccard=0.67) tropicamide psoriasis GAP_HIGH 0.3195 0.75 ephedrine High-priority: Binding assay tropicamide→?; validate in psoriasis cell model. Expected: similar to ephedrine (Jaccard=0.75) emtricitabine sclerosing_cholangitis GAP_HIGH 0.3191 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in sclerosing_cholangitis cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine pharynx_cancer GAP_HIGH 0.3188 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in pharynx_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) clenbuterol refractive_error GAP_HIGH 0.3186 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=1.00) emtricitabine thyroid_cancer GAP_HIGH 0.3185 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in thyroid_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) linaclotide atherosclerosis GAP_HIGH 0.3185 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in atherosclerosis cell model. Expected: similar to deferasirox (Jaccard=0.50) emtricitabine salivary_gland_cancer GAP_HIGH 0.3181 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in salivary_gland_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) tropicamide vitiligo GAP_HIGH 0.318 0.75 ephedrine High-priority: Binding assay tropicamide→?; validate in vitiligo cell model. Expected: similar to ephedrine (Jaccard=0.75) emtricitabine lung_cancer GAP_HIGH 0.3179 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in lung_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine ocular_cancer GAP_HIGH 0.3179 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in ocular_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine rectum_cancer GAP_HIGH 0.3179 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in rectum_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) oxyphenonium type_1_diabetes_mellitus GAP_HIGH 0.3179 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.67) emtricitabine urinary_bladder_cancer GAP_HIGH 0.3176 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in urinary_bladder_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine peripheral_nervous_system_neoplasm GAP_HIGH 0.3175 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pentostatin (Jaccard=0.67) solifenacin hepatitis_b GAP_HIGH 0.3174 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.60) amodiaquine pancreatic_cancer GAP_HIGH 0.3171 1.0 quinacrine High-priority: Binding assay amodiaquine→?; validate in pancreatic_cancer cell model. Expected: similar to quinacrine (Jaccard=1.00) lubiprostone salivary_gland_cancer GAP_HIGH 0.3171 0.6666666666666666 carboprost_tromethamine High-priority: Binding assay lubiprostone→?; validate in salivary_gland_cancer cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.67) emtricitabine pancreatic_cancer GAP_HIGH 0.317 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in pancreatic_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine uterine_cancer GAP_HIGH 0.3168 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in uterine_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine systemic_lupus_erythematosus GAP_HIGH 0.3165 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pentostatin (Jaccard=0.67) lubiprostone peripheral_nervous_system_neoplasm GAP_HIGH 0.3165 0.6666666666666666 carboprost_tromethamine High-priority: Binding assay lubiprostone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.67) emtricitabine skin_cancer GAP_HIGH 0.3163 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in skin_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) emtricitabine testicular_cancer GAP_HIGH 0.3162 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in testicular_cancer cell model. Expected: similar to pentostatin (Jaccard=0.67) oxyphenonium celiac_disease GAP_HIGH 0.316 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in celiac_disease cell model. Expected: similar to methylphenidate (Jaccard=0.67) emtricitabine systemic_scleroderma GAP_HIGH 0.3159 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in systemic_scleroderma cell model. Expected: similar to pentostatin (Jaccard=0.67) lubiprostone sarcoma GAP_HIGH 0.3157 0.6666666666666666 carboprost_tromethamine High-priority: Binding assay lubiprostone→?; validate in sarcoma cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.67) lubiprostone skin_cancer GAP_HIGH 0.3153 0.6666666666666666 carboprost_tromethamine High-priority: Binding assay lubiprostone→?; validate in skin_cancer cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.67) emtricitabine rheumatoid_arthritis GAP_HIGH 0.3152 0.6666666666666666 pentostatin High-priority: Binding assay emtricitabine→?; validate in rheumatoid_arthritis cell model. Expected: similar to pentostatin (Jaccard=0.67) clenbuterol idiopathic_pulmonary_fibrosis GAP_HIGH 0.3146 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=1.00) solifenacin gilles_de_la_tourette_syndrome GAP_HIGH 0.3141 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.60) carprofen larynx_cancer GAP_HIGH 0.3136 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) vindesine hypertension GAP_HIGH 0.3133 0.875 voacamine High-priority: Binding assay vindesine→?; validate in hypertension cell model. Expected: similar to voacamine (Jaccard=0.88) vindesine metabolic_syndrome_x GAP_HIGH 0.3126 0.875 voacamine High-priority: Binding assay vindesine→?; validate in metabolic_syndrome_x cell model. Expected: similar to voacamine (Jaccard=0.88) oxyphenonium crohns_disease GAP_HIGH 0.3126 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in crohns_disease cell model. Expected: similar to methylphenidate (Jaccard=0.67) valsartan type_2_diabetes_mellitus GAP_HIGH 0.3124 1.0 olmesartan High-priority: Binding assay valsartan→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to olmesartan (Jaccard=1.00) clenbuterol chronic_obstructive_pulmonary_disease GAP_HIGH 0.3123 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=1.00) cyproheptadine epilepsy_syndrome GAP_HIGH 0.3122 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=1.00) vindesine obesity GAP_HIGH 0.3122 0.875 voacamine High-priority: Binding assay vindesine→?; validate in obesity cell model. Expected: similar to voacamine (Jaccard=0.88) oxyphenonium idiopathic_pulmonary_fibrosis GAP_HIGH 0.3122 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.67) clenbuterol salivary_gland_cancer GAP_HIGH 0.312 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in salivary_gland_cancer cell model. Expected: similar to epinephrine (Jaccard=1.00) oxyphenonium primary_biliary_cirrhosis GAP_HIGH 0.312 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium gout GAP_HIGH 0.3119 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in gout cell model. Expected: similar to methylphenidate (Jaccard=0.67) clenbuterol ocular_cancer GAP_HIGH 0.3117 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in ocular_cancer cell model. Expected: similar to epinephrine (Jaccard=1.00) clenbuterol peripheral_nervous_system_neoplasm GAP_HIGH 0.3114 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to epinephrine (Jaccard=1.00) cyproheptadine nicotine_dependence GAP_HIGH 0.3114 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=1.00) vindesine psoriatic_arthritis GAP_HIGH 0.3112 0.875 voacamine High-priority: Binding assay vindesine→?; validate in psoriatic_arthritis cell model. Expected: similar to voacamine (Jaccard=0.88) clenbuterol atopic_dermatitis GAP_HIGH 0.3109 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=1.00) cyproheptadine schizophrenia GAP_HIGH 0.3109 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=1.00) oxyphenonium duodenum_cancer GAP_HIGH 0.3109 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium gallbladder_cancer GAP_HIGH 0.3109 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium melanoma GAP_HIGH 0.3109 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in melanoma cell model. Expected: similar to methylphenidate (Jaccard=0.67) cyproheptadine allergic_rhinitis GAP_HIGH 0.3108 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=1.00) cyproheptadine hypertension GAP_HIGH 0.3108 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=1.00) clenbuterol psoriasis GAP_HIGH 0.3107 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=1.00) methyclothiazide amyotrophic_lateral_sclerosis GAP_HIGH 0.3107 0.7777777777777778 quinethazone High-priority: Binding assay methyclothiazide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.78) solifenacin membranous_glomerulonephritis GAP_HIGH 0.3107 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.60) cyproheptadine multiple_sclerosis GAP_HIGH 0.3106 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=1.00) oxyphenonium sclerosing_cholangitis GAP_HIGH 0.3106 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in sclerosing_cholangitis cell model. Expected: similar to methylphenidate (Jaccard=0.67) clenbuterol sarcoma GAP_HIGH 0.3105 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in sarcoma cell model. Expected: similar to epinephrine (Jaccard=1.00) cyproheptadine migraine GAP_HIGH 0.3105 1.0 alcaftadine High-priority: Binding assay cyproheptadine→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=1.00) carprofen glaucoma GAP_HIGH 0.3104 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen intracranial_aneurysm GAP_HIGH 0.3102 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=1.00) clenbuterol skin_cancer GAP_HIGH 0.3102 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in skin_cancer cell model. Expected: similar to epinephrine (Jaccard=1.00) methyclothiazide conduct_disorder GAP_HIGH 0.3101 0.7777777777777778 quinethazone High-priority: Binding assay methyclothiazide→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.78) oxyphenonium ankylosing_spondylitis GAP_HIGH 0.3101 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in ankylosing_spondylitis cell model. Expected: similar to methylphenidate (Jaccard=0.67) cyproheptadine vulva_cancer GAP_HIGH 0.31 1.0 loratadine High-priority: Binding assay cyproheptadine→?; validate in vulva_cancer cell model. Expected: similar to loratadine (Jaccard=1.00) methyclothiazide endogenous_depression GAP_HIGH 0.3099 0.7777777777777778 quinethazone High-priority: Binding assay methyclothiazide→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.78) oxyphenonium chronic_obstructive_pulmonary_disease GAP_HIGH 0.3099 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to methylphenidate (Jaccard=0.67) cyproheptadine vascular_cancer GAP_HIGH 0.3098 1.0 loratadine High-priority: Binding assay cyproheptadine→?; validate in vascular_cancer cell model. Expected: similar to loratadine (Jaccard=1.00) methyclothiazide migraine GAP_HIGH 0.3098 0.7777777777777778 quinethazone High-priority: Binding assay methyclothiazide→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.78) oxyphenonium pancreatitis GAP_HIGH 0.3097 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in pancreatitis cell model. Expected: similar to methylphenidate (Jaccard=0.67) cyproheptadine uterine_fibroid GAP_HIGH 0.3095 1.0 loratadine High-priority: Binding assay cyproheptadine→?; validate in uterine_fibroid cell model. Expected: similar to loratadine (Jaccard=1.00) carprofen head_and_neck_cancer GAP_HIGH 0.3094 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen malignant_glioma GAP_HIGH 0.3094 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=1.00) oxyphenonium lung_cancer GAP_HIGH 0.3094 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in lung_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium rectum_cancer GAP_HIGH 0.3094 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) carprofen refractive_error GAP_HIGH 0.3092 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=1.00) clenbuterol vitiligo GAP_HIGH 0.3092 1.0 epinephrine High-priority: Binding assay clenbuterol→?; validate in vitiligo cell model. Expected: similar to epinephrine (Jaccard=1.00) oxyphenonium liver_cancer GAP_HIGH 0.3092 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in liver_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) linaclotide azoospermia GAP_HIGH 0.3092 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in azoospermia cell model. Expected: similar to deferasirox (Jaccard=0.50) oxyphenonium nicotine_dependence GAP_HIGH 0.3091 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in nicotine_dependence cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium peripheral_nervous_system_neoplasm GAP_HIGH 0.309 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium asthma GAP_HIGH 0.3086 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in asthma cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium conduct_disorder GAP_HIGH 0.3086 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in conduct_disorder cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium panic_disorder GAP_HIGH 0.3086 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in panic_disorder cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium colon_cancer GAP_HIGH 0.3085 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in colon_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium stomach_cancer GAP_HIGH 0.3085 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in stomach_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) levomilnacipran gilles_de_la_tourette_syndrome GAP_HIGH 0.3084 1.0 remifentanil High-priority: Binding assay levomilnacipran→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=1.00) oxyphenonium pancreatic_cancer GAP_HIGH 0.3084 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in pancreatic_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium osteoporosis GAP_HIGH 0.3083 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in osteoporosis cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium psoriasis GAP_HIGH 0.3083 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in psoriasis cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium ulcerative_colitis GAP_HIGH 0.3083 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in ulcerative_colitis cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium ovarian_cancer GAP_HIGH 0.3082 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.67) oxyphenonium sarcoma GAP_HIGH 0.3082 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in sarcoma cell model. Expected: similar to methylphenidate (Jaccard=0.67) solifenacin primary_biliary_cirrhosis GAP_HIGH 0.3081 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.60) oxyphenonium systemic_lupus_erythematosus GAP_HIGH 0.308 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methylphenidate (Jaccard=0.67) solifenacin gout GAP_HIGH 0.308 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.60) codeine pancreatitis GAP_HIGH 0.3079 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in pancreatitis cell model. Expected: similar to ethylmorphine (Jaccard=0.93) codeine nicotine_dependence GAP_HIGH 0.3074 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in nicotine_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.93) oxyphenonium systemic_scleroderma GAP_HIGH 0.3073 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in systemic_scleroderma cell model. Expected: similar to methylphenidate (Jaccard=0.67) carprofen germ_cell_cancer GAP_HIGH 0.3072 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) oxyphenonium uterine_fibroid GAP_HIGH 0.3072 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in uterine_fibroid cell model. Expected: similar to methylphenidate (Jaccard=0.67) linaclotide crohns_disease GAP_HIGH 0.3071 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in crohns_disease cell model. Expected: similar to deferasirox (Jaccard=0.50) solifenacin duodenum_cancer GAP_HIGH 0.307 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin gallbladder_cancer GAP_HIGH 0.307 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) codeine conduct_disorder GAP_HIGH 0.3069 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in conduct_disorder cell model. Expected: similar to ethylmorphine (Jaccard=0.93) codeine panic_disorder GAP_HIGH 0.3069 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in panic_disorder cell model. Expected: similar to ethylmorphine (Jaccard=0.93) oxyphenonium vitiligo GAP_HIGH 0.3069 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in vitiligo cell model. Expected: similar to methylphenidate (Jaccard=0.67) codeine bipolar_disorder GAP_HIGH 0.3067 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in bipolar_disorder cell model. Expected: similar to ethylmorphine (Jaccard=0.93) oxyphenonium rheumatoid_arthritis GAP_HIGH 0.3067 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in rheumatoid_arthritis cell model. Expected: similar to methylphenidate (Jaccard=0.67) carprofen penile_cancer GAP_HIGH 0.3066 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) codeine endogenous_depression GAP_HIGH 0.3066 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in endogenous_depression cell model. Expected: similar to ethylmorphine (Jaccard=0.93) solifenacin creutzfeldt-jakob_disease GAP_HIGH 0.3066 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to desipramine (Jaccard=0.60) tafluprost pharynx_cancer GAP_HIGH 0.3065 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in pharynx_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) oxyphenonium psoriatic_arthritis GAP_HIGH 0.3064 0.6666666666666666 methylphenidate High-priority: Binding assay oxyphenonium→?; validate in psoriatic_arthritis cell model. Expected: similar to methylphenidate (Jaccard=0.67) tafluprost thyroid_cancer GAP_HIGH 0.3062 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in thyroid_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin ankylosing_spondylitis GAP_HIGH 0.3062 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.60) linaclotide coronary_artery_disease GAP_HIGH 0.3062 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in coronary_artery_disease cell model. Expected: similar to deferasirox (Jaccard=0.50) codeine osteoarthritis GAP_HIGH 0.306 0.9285714285714286 ethylmorphine High-priority: Binding assay codeine→?; validate in osteoarthritis cell model. Expected: similar to ethylmorphine (Jaccard=0.93) solifenacin epilepsy_syndrome GAP_HIGH 0.306 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in epilepsy_syndrome cell model. Expected: similar to desipramine (Jaccard=0.60) carprofen meningioma GAP_HIGH 0.3058 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=1.00) paricalcitol chronic_kidney_failure GAP_HIGH 0.3056 0.8571428571428571 dihydrotachysterol High-priority: Binding assay paricalcitol→?; validate in chronic_kidney_failure cell model. Expected: similar to dihydrotachysterol (Jaccard=0.86) solifenacin lung_cancer GAP_HIGH 0.3055 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin rectum_cancer GAP_HIGH 0.3055 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin alzheimers_disease GAP_HIGH 0.3053 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in alzheimers_disease cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin autistic_disorder GAP_HIGH 0.3053 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in autistic_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin liver_cancer GAP_HIGH 0.3053 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin nicotine_dependence GAP_HIGH 0.3053 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in nicotine_dependence cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin parkinsons_disease GAP_HIGH 0.3053 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in parkinsons_disease cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin amyotrophic_lateral_sclerosis GAP_HIGH 0.3052 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin attention_deficit_hyperactivity_disorder GAP_HIGH 0.305 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alvimopan (Jaccard=0.60) carprofen mediastinal_cancer GAP_HIGH 0.3049 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) amlodipine hypertension GAP_HIGH 0.3048 1.0 nilvadipine High-priority: Binding assay amlodipine→?; validate in hypertension cell model. Expected: similar to nilvadipine (Jaccard=1.00) carprofen thymus_cancer GAP_HIGH 0.3048 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) solifenacin panic_disorder GAP_HIGH 0.3048 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in panic_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin asthma GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in asthma cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin atopic_dermatitis GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in atopic_dermatitis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin breast_cancer GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in breast_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin colon_cancer GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin conduct_disorder GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in conduct_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin schizophrenia GAP_HIGH 0.3047 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in schizophrenia cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin allergic_rhinitis GAP_HIGH 0.3046 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in allergic_rhinitis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin bipolar_disorder GAP_HIGH 0.3046 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in bipolar_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin stomach_cancer GAP_HIGH 0.3046 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) linaclotide ankylosing_spondylitis GAP_HIGH 0.3046 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in ankylosing_spondylitis cell model. Expected: similar to deferasirox (Jaccard=0.50) tafluprost uterine_cancer GAP_HIGH 0.3045 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in uterine_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin endogenous_depression GAP_HIGH 0.3045 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in endogenous_depression cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin pancreatic_cancer GAP_HIGH 0.3045 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin ulcerative_colitis GAP_HIGH 0.3045 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.60) gliquidone kidney_cancer GAP_HIGH 0.3044 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in kidney_cancer cell model. Expected: similar to tolazamide (Jaccard=0.70) solifenacin multiple_sclerosis GAP_HIGH 0.3044 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in multiple_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin osteoporosis GAP_HIGH 0.3044 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in osteoporosis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin ovarian_cancer GAP_HIGH 0.3044 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin psoriasis GAP_HIGH 0.3044 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in psoriasis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin uterine_cancer GAP_HIGH 0.3044 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin migraine GAP_HIGH 0.3043 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in migraine cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin sarcoma GAP_HIGH 0.3043 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in sarcoma cell model. Expected: similar to alvimopan (Jaccard=0.60) linaclotide epilepsy_syndrome GAP_HIGH 0.3043 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in epilepsy_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.50) solifenacin systemic_lupus_erythematosus GAP_HIGH 0.3041 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.60) tafluprost testicular_cancer GAP_HIGH 0.3039 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in testicular_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) tafluprost vaginal_cancer GAP_HIGH 0.3039 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in vaginal_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) tafluprost vulva_cancer GAP_HIGH 0.3039 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in vulva_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin osteoarthritis GAP_HIGH 0.3039 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in osteoarthritis cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin skin_cancer GAP_HIGH 0.3039 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.60) carprofen melanoma GAP_HIGH 0.3038 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=1.00) tafluprost vascular_cancer GAP_HIGH 0.3038 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in vascular_cancer cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin testicular_cancer GAP_HIGH 0.3038 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in testicular_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin vaginal_cancer GAP_HIGH 0.3038 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in vaginal_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin vulva_cancer GAP_HIGH 0.3038 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin vascular_cancer GAP_HIGH 0.3037 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in vascular_cancer cell model. Expected: similar to alvimopan (Jaccard=0.60) linaclotide alzheimers_disease GAP_HIGH 0.3037 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in alzheimers_disease cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide parkinsons_disease GAP_HIGH 0.3037 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in parkinsons_disease cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide autistic_disorder GAP_HIGH 0.3036 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in autistic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.50) tafluprost uterine_fibroid GAP_HIGH 0.3035 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in uterine_fibroid cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin systemic_scleroderma GAP_HIGH 0.3035 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in systemic_scleroderma cell model. Expected: similar to desipramine (Jaccard=0.60) solifenacin uterine_fibroid GAP_HIGH 0.3034 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in uterine_fibroid cell model. Expected: similar to desipramine (Jaccard=0.60) linaclotide attention_deficit_hyperactivity_disorder GAP_HIGH 0.3034 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen pharynx_cancer GAP_HIGH 0.3032 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) tafluprost vitiligo GAP_HIGH 0.3031 1.0 latanoprost High-priority: Binding assay tafluprost→?; validate in vitiligo cell model. Expected: similar to latanoprost (Jaccard=1.00) solifenacin restless_legs_syndrome GAP_HIGH 0.3031 0.6 desipramine High-priority: Binding assay solifenacin→?; validate in restless_legs_syndrome cell model. Expected: similar to desipramine (Jaccard=0.60) travoprost glaucoma GAP_HIGH 0.3031 0.5555555555555556 tafluprost High-priority: Binding assay travoprost→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.56) linaclotide asthma GAP_HIGH 0.3031 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in asthma cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide conduct_disorder GAP_HIGH 0.3031 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in conduct_disorder cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide panic_disorder GAP_HIGH 0.3031 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in panic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide schizophrenia GAP_HIGH 0.3031 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in schizophrenia cell model. Expected: similar to deferasirox (Jaccard=0.50) solifenacin vitiligo GAP_HIGH 0.303 0.6 alvimopan High-priority: Binding assay solifenacin→?; validate in vitiligo cell model. Expected: similar to alvimopan (Jaccard=0.60) linaclotide allergic_rhinitis GAP_HIGH 0.303 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in allergic_rhinitis cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide breast_cancer GAP_HIGH 0.303 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in breast_cancer cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide hypertension GAP_HIGH 0.303 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in hypertension cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen thyroid_cancer GAP_HIGH 0.3029 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide bipolar_disorder GAP_HIGH 0.3029 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in bipolar_disorder cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide endogenous_depression GAP_HIGH 0.3028 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in endogenous_depression cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide psoriasis GAP_HIGH 0.3028 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in psoriasis cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide ulcerative_colitis GAP_HIGH 0.3028 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in ulcerative_colitis cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide migraine GAP_HIGH 0.3027 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in migraine cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide multiple_sclerosis GAP_HIGH 0.3027 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in multiple_sclerosis cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide osteoporosis GAP_HIGH 0.3027 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in osteoporosis cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen pancreatitis GAP_HIGH 0.3026 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen salivary_gland_cancer GAP_HIGH 0.3025 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide systemic_lupus_erythematosus GAP_HIGH 0.3025 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen muscle_cancer GAP_HIGH 0.3024 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide metabolic_syndrome_x GAP_HIGH 0.3024 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in metabolic_syndrome_x cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen ocular_cancer GAP_HIGH 0.3023 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen rectum_cancer GAP_HIGH 0.3023 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide skin_cancer GAP_HIGH 0.3023 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in skin_cancer cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide osteoarthritis GAP_HIGH 0.3022 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in osteoarthritis cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide vulva_cancer GAP_HIGH 0.3022 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in vulva_cancer cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen liver_cancer GAP_HIGH 0.3021 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide obesity GAP_HIGH 0.302 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in obesity cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.3019 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen urinary_bladder_cancer GAP_HIGH 0.3019 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide systemic_scleroderma GAP_HIGH 0.3018 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in systemic_scleroderma cell model. Expected: similar to deferasirox (Jaccard=0.50) linaclotide uterine_fibroid GAP_HIGH 0.3017 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in uterine_fibroid cell model. Expected: similar to deferasirox (Jaccard=0.50) aceprometazine ankylosing_spondylitis GAP_HIGH 0.3016 1.0 propiomazine High-priority: Binding assay aceprometazine→?; validate in ankylosing_spondylitis cell model. Expected: similar to propiomazine (Jaccard=1.00) carprofen hypertension GAP_HIGH 0.3015 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in hypertension cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide restless_legs_syndrome GAP_HIGH 0.3015 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in restless_legs_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen stomach_cancer GAP_HIGH 0.3014 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide polycystic_ovary_syndrome GAP_HIGH 0.3014 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen pancreatic_cancer GAP_HIGH 0.3013 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen ulcerative_colitis GAP_HIGH 0.3013 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in ulcerative_colitis cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide vitiligo GAP_HIGH 0.3013 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in vitiligo cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen ovarian_cancer GAP_HIGH 0.3012 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen uterine_cancer GAP_HIGH 0.3012 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen sarcoma GAP_HIGH 0.3011 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in sarcoma cell model. Expected: similar to procarbazine (Jaccard=1.00) linaclotide rheumatoid_arthritis GAP_HIGH 0.3011 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in rheumatoid_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.50) alcaftadine esophageal_cancer GAP_HIGH 0.301 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) pentostatin malignant_mesothelioma GAP_HIGH 0.301 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in malignant_mesothelioma cell model. Expected: similar to telbivudine (Jaccard=0.60) linaclotide psoriatic_arthritis GAP_HIGH 0.3009 0.5 deferasirox High-priority: Binding assay linaclotide→?; validate in psoriatic_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.50) carprofen metabolic_syndrome_x GAP_HIGH 0.3008 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in metabolic_syndrome_x cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen skin_cancer GAP_HIGH 0.3007 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in skin_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen testicular_cancer GAP_HIGH 0.3006 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen vaginal_cancer GAP_HIGH 0.3006 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen vulva_cancer GAP_HIGH 0.3006 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) ramipril dilated_cardiomyopathy GAP_HIGH 0.3006 1.0 trandolapril High-priority: Binding assay ramipril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=1.00) carprofen vascular_cancer GAP_HIGH 0.3005 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen obesity GAP_HIGH 0.3004 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in obesity cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen uterine_fibroid GAP_HIGH 0.3002 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=1.00) loratadine esophageal_cancer GAP_HIGH 0.3001 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) gliquidone gout GAP_HIGH 0.3001 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in gout cell model. Expected: similar to tolazamide (Jaccard=0.70) droperidol crohns_disease GAP_HIGH 0.3 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in crohns_disease cell model. Expected: similar to bepotastine (Jaccard=1.00) aceprometazine osteoporosis GAP_HIGH 0.2998 1.0 propiomazine High-priority: Binding assay aceprometazine→?; validate in osteoporosis cell model. Expected: similar to propiomazine (Jaccard=1.00) aceprometazine psoriasis GAP_HIGH 0.2998 1.0 propiomazine High-priority: Binding assay aceprometazine→?; validate in psoriasis cell model. Expected: similar to propiomazine (Jaccard=1.00) carprofen polycystic_ovary_syndrome GAP_HIGH 0.2998 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen type_2_diabetes_mellitus GAP_HIGH 0.2998 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to procarbazine (Jaccard=1.00) carprofen vitiligo GAP_HIGH 0.2998 1.0 procarbazine High-priority: Binding assay carprofen→?; validate in vitiligo cell model. Expected: similar to procarbazine (Jaccard=1.00) pentostatin mediastinal_cancer GAP_HIGH 0.2995 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in mediastinal_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) benzthiazide glaucoma GAP_HIGH 0.2994 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in glaucoma cell model. Expected: similar to methyclothiazide (Jaccard=0.62) pentostatin thymus_cancer GAP_HIGH 0.2994 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in thymus_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) levomilnacipran breast_cancer GAP_HIGH 0.299 1.0 remifentanil High-priority: Binding assay levomilnacipran→?; validate in breast_cancer cell model. Expected: similar to remifentanil (Jaccard=1.00) levomilnacipran atopic_dermatitis GAP_HIGH 0.2989 1.0 remifentanil High-priority: Binding assay levomilnacipran→?; validate in atopic_dermatitis cell model. Expected: similar to remifentanil (Jaccard=1.00) levomilnacipran migraine GAP_HIGH 0.2986 1.0 remifentanil High-priority: Binding assay levomilnacipran→?; validate in migraine cell model. Expected: similar to remifentanil (Jaccard=1.00) pentostatin melanoma GAP_HIGH 0.2985 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in melanoma cell model. Expected: similar to telbivudine (Jaccard=0.60) aceprometazine rheumatoid_arthritis GAP_HIGH 0.2982 1.0 propiomazine High-priority: Binding assay aceprometazine→?; validate in rheumatoid_arthritis cell model. Expected: similar to propiomazine (Jaccard=1.00) remifentanil type_1_diabetes_mellitus GAP_HIGH 0.2981 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide nephrolithiasis GAP_HIGH 0.2981 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in nephrolithiasis cell model. Expected: similar to methyclothiazide (Jaccard=0.62) benzthiazide refractive_error GAP_HIGH 0.2981 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in refractive_error cell model. Expected: similar to methyclothiazide (Jaccard=0.62) baclofen esophageal_cancer GAP_HIGH 0.2976 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) droperidol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2972 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepotastine (Jaccard=1.00) clotiazepam chronic_kidney_failure GAP_HIGH 0.2972 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to cinolazepam (Jaccard=0.83) pentostatin pancreatitis GAP_HIGH 0.2972 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in pancreatitis cell model. Expected: similar to telbivudine (Jaccard=0.60) droperidol pancreatitis GAP_HIGH 0.297 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in pancreatitis cell model. Expected: similar to bepotastine (Jaccard=1.00) alcaftadine germ_cell_cancer GAP_HIGH 0.2967 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) gliquidone pancreatic_cancer GAP_HIGH 0.2965 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in pancreatic_cancer cell model. Expected: similar to tolazamide (Jaccard=0.70) gliquidone multiple_sclerosis GAP_HIGH 0.2964 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in multiple_sclerosis cell model. Expected: similar to tolazamide (Jaccard=0.70) remifentanil celiac_disease GAP_HIGH 0.2963 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) droperidol colon_cancer GAP_HIGH 0.2959 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in colon_cancer cell model. Expected: similar to bepotastine (Jaccard=1.00) alcaftadine malignant_mesothelioma GAP_HIGH 0.2959 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.75) gliquidone osteoarthritis GAP_HIGH 0.2959 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in osteoarthritis cell model. Expected: similar to tolazamide (Jaccard=0.70) pentostatin ulcerative_colitis GAP_HIGH 0.2959 0.6 telbivudine High-priority: Binding assay pentostatin→?; validate in ulcerative_colitis cell model. Expected: similar to telbivudine (Jaccard=0.60) loratadine germ_cell_cancer GAP_HIGH 0.2958 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) droperidol psoriasis GAP_HIGH 0.2957 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in psoriasis cell model. Expected: similar to bepotastine (Jaccard=1.00) droperidol migraine GAP_HIGH 0.2956 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in migraine cell model. Expected: similar to bepotastine (Jaccard=1.00) droperidol ovarian_cancer GAP_HIGH 0.2956 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in ovarian_cancer cell model. Expected: similar to bepotastine (Jaccard=1.00) droperidol osteoarthritis GAP_HIGH 0.2951 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in osteoarthritis cell model. Expected: similar to bepotastine (Jaccard=1.00) baclofen celiac_disease GAP_HIGH 0.2951 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.64) alcaftadine crohns_disease GAP_HIGH 0.295 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine malignant_mesothelioma GAP_HIGH 0.295 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil azoospermia GAP_HIGH 0.295 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.71) droperidol obesity GAP_HIGH 0.2948 1.0 bepotastine High-priority: Binding assay droperidol→?; validate in obesity cell model. Expected: similar to bepotastine (Jaccard=1.00) gliquidone rheumatoid_arthritis GAP_HIGH 0.2948 0.7 tolazamide High-priority: Binding assay gliquidone→?; validate in rheumatoid_arthritis cell model. Expected: similar to tolazamide (Jaccard=0.70) methylprednisolone brain_cancer GAP_HIGH 0.2945 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in brain_cancer cell model. Expected: similar to fluorometholone (Jaccard=1.00) glimepiride type_2_diabetes_mellitus GAP_HIGH 0.2945 0.6666666666666666 gliquidone High-priority: Binding assay glimepiride→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.67) metolazone nicotine_dependence GAP_HIGH 0.2945 0.6666666666666666 gabapentin High-priority: Binding assay metolazone→?; validate in nicotine_dependence cell model. Expected: similar to gabapentin (Jaccard=0.67) alcaftadine mediastinal_cancer GAP_HIGH 0.2944 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine primary_biliary_cirrhosis GAP_HIGH 0.2944 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.75) metolazone amyotrophic_lateral_sclerosis GAP_HIGH 0.2944 0.6666666666666666 gabapentin High-priority: Binding assay metolazone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to gabapentin (Jaccard=0.67) alcaftadine thymus_cancer GAP_HIGH 0.2943 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine crohns_disease GAP_HIGH 0.2941 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine mediastinal_cancer GAP_HIGH 0.2935 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine primary_biliary_cirrhosis GAP_HIGH 0.2935 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine thymus_cancer GAP_HIGH 0.2934 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine duodenum_cancer GAP_HIGH 0.2933 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine gallbladder_cancer GAP_HIGH 0.2933 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine melanoma GAP_HIGH 0.2933 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.75) clotiazepam coronary_artery_disease GAP_HIGH 0.293 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in coronary_artery_disease cell model. Expected: similar to cinolazepam (Jaccard=0.83) alcaftadine sclerosing_cholangitis GAP_HIGH 0.293 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.75) bimatoprost idiopathic_pulmonary_fibrosis GAP_HIGH 0.293 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to alcaftadine (Jaccard=0.60) calcidiol vaginal_cancer GAP_HIGH 0.2929 0.8 calcipotriol High-priority: Binding assay calcidiol→?; validate in vaginal_cancer cell model. Expected: similar to calcipotriol (Jaccard=0.80) remifentanil crohns_disease GAP_HIGH 0.2928 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in crohns_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) metolazone systemic_scleroderma GAP_HIGH 0.2927 0.6666666666666666 gabapentin High-priority: Binding assay metolazone→?; validate in systemic_scleroderma cell model. Expected: similar to gabapentin (Jaccard=0.67) spirapril rheumatoid_arthritis GAP_HIGH 0.2925 0.75 quinapril High-priority: Binding assay spirapril→?; validate in rheumatoid_arthritis cell model. Expected: similar to quinapril (Jaccard=0.75) baclofen malignant_mesothelioma GAP_HIGH 0.2925 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.64) alcaftadine thyroid_cancer GAP_HIGH 0.2924 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine duodenum_cancer GAP_HIGH 0.2924 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine gallbladder_cancer GAP_HIGH 0.2924 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine melanoma GAP_HIGH 0.2924 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil prostate_cancer GAP_HIGH 0.2924 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) fluspirilene crohns_disease GAP_HIGH 0.2922 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in crohns_disease cell model. Expected: similar to bepotastine (Jaccard=1.00) remifentanil primary_biliary_cirrhosis GAP_HIGH 0.2922 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) epinephrine hypertension GAP_HIGH 0.2921 1.0 clenbuterol High-priority: Binding assay epinephrine→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=1.00) alcaftadine pancreatitis GAP_HIGH 0.2921 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine sclerosing_cholangitis GAP_HIGH 0.2921 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil gout GAP_HIGH 0.2921 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.71) labetalol acquired_immunodeficiency_syndrome GAP_HIGH 0.2921 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.60) remifentanil coronary_artery_disease GAP_HIGH 0.292 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in coronary_artery_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) alcaftadine muscle_cancer GAP_HIGH 0.2919 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine lung_cancer GAP_HIGH 0.2918 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine rectum_cancer GAP_HIGH 0.2918 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine liver_cancer GAP_HIGH 0.2916 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) baclofen crohns_disease GAP_HIGH 0.2916 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.64) loratadine thyroid_cancer GAP_HIGH 0.2915 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) benzthiazide salivary_gland_cancer GAP_HIGH 0.2915 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in salivary_gland_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) epinephrine metabolic_syndrome_x GAP_HIGH 0.2914 1.0 clenbuterol High-priority: Binding assay epinephrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clenbuterol (Jaccard=1.00) alcaftadine peripheral_nervous_system_neoplasm GAP_HIGH 0.2914 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine urinary_bladder_cancer GAP_HIGH 0.2914 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) paricalcitol vaginal_cancer GAP_HIGH 0.2913 0.8333333333333334 calcipotriol High-priority: Binding assay paricalcitol→?; validate in vaginal_cancer cell model. Expected: similar to calcipotriol (Jaccard=0.83) bimatoprost creutzfeldt-jakob_disease GAP_HIGH 0.2913 0.6 cyproheptadine High-priority: Binding assay bimatoprost→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.60) loratadine pancreatitis GAP_HIGH 0.2912 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.75) benzthiazide ocular_cancer GAP_HIGH 0.2912 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in ocular_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) remifentanil duodenum_cancer GAP_HIGH 0.2911 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil gallbladder_cancer GAP_HIGH 0.2911 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil melanoma GAP_HIGH 0.2911 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide parkinsons_disease GAP_HIGH 0.2911 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in parkinsons_disease cell model. Expected: similar to methyclothiazide (Jaccard=0.62) epinephrine obesity GAP_HIGH 0.291 1.0 clenbuterol High-priority: Binding assay epinephrine→?; validate in obesity cell model. Expected: similar to clenbuterol (Jaccard=1.00) regadenoson thyroid_cancer GAP_HIGH 0.291 0.7777777777777778 clofarabine High-priority: Binding assay regadenoson→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.78) loratadine muscle_cancer GAP_HIGH 0.291 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) baclofen primary_biliary_cirrhosis GAP_HIGH 0.291 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.64) benzthiazide amyotrophic_lateral_sclerosis GAP_HIGH 0.291 0.625 quinethazone High-priority: Binding assay benzthiazide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.62) benzthiazide autistic_disorder GAP_HIGH 0.291 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in autistic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.62) alcaftadine stomach_cancer GAP_HIGH 0.2909 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine lung_cancer GAP_HIGH 0.2909 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine rectum_cancer GAP_HIGH 0.2909 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) baclofen gout GAP_HIGH 0.2909 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.64) benzthiazide urinary_bladder_cancer GAP_HIGH 0.2909 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in urinary_bladder_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) zolmitriptan coronary_artery_disease GAP_HIGH 0.2908 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in coronary_artery_disease cell model. Expected: similar to midodrine (Jaccard=0.82) alcaftadine pancreatic_cancer GAP_HIGH 0.2908 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine ulcerative_colitis GAP_HIGH 0.2908 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil sclerosing_cholangitis GAP_HIGH 0.2908 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen coronary_artery_disease GAP_HIGH 0.2908 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.64) benzthiazide peripheral_nervous_system_neoplasm GAP_HIGH 0.2908 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methyclothiazide (Jaccard=0.62) alcaftadine uterine_cancer GAP_HIGH 0.2907 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in uterine_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine liver_cancer GAP_HIGH 0.2907 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) baclofen narcolepsy GAP_HIGH 0.2907 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.64) bimatoprost chronic_obstructive_pulmonary_disease GAP_HIGH 0.2907 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to alcaftadine (Jaccard=0.60) alcaftadine sarcoma GAP_HIGH 0.2906 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.75) bimatoprost epilepsy_syndrome GAP_HIGH 0.2906 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.60) epinephrine type_2_diabetes_mellitus GAP_HIGH 0.2905 1.0 clenbuterol High-priority: Binding assay epinephrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clenbuterol (Jaccard=1.00) loratadine peripheral_nervous_system_neoplasm GAP_HIGH 0.2905 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine urinary_bladder_cancer GAP_HIGH 0.2905 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) benzthiazide panic_disorder GAP_HIGH 0.2905 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in panic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.62) benzthiazide schizophrenia GAP_HIGH 0.2905 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in schizophrenia cell model. Expected: similar to methyclothiazide (Jaccard=0.62) clotiazepam nicotine_dependence GAP_HIGH 0.2904 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in nicotine_dependence cell model. Expected: similar to cinolazepam (Jaccard=0.83) clotiazepam parkinsons_disease GAP_HIGH 0.2904 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in parkinsons_disease cell model. Expected: similar to cinolazepam (Jaccard=0.83) benzthiazide conduct_disorder GAP_HIGH 0.2904 0.625 quinethazone High-priority: Binding assay benzthiazide→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.62) nelarabine acquired_immunodeficiency_syndrome GAP_HIGH 0.2904 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to emtricitabine (Jaccard=0.50) clotiazepam amyotrophic_lateral_sclerosis GAP_HIGH 0.2903 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cinolazepam (Jaccard=0.83) remifentanil ankylosing_spondylitis GAP_HIGH 0.2903 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide endogenous_depression GAP_HIGH 0.2902 0.625 quinethazone High-priority: Binding assay benzthiazide→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.62) alcaftadine testicular_cancer GAP_HIGH 0.2901 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in testicular_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine vaginal_cancer GAP_HIGH 0.2901 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in vaginal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil chronic_obstructive_pulmonary_disease GAP_HIGH 0.2901 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide migraine GAP_HIGH 0.2901 0.625 quinethazone High-priority: Binding assay benzthiazide→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.62) loratadine stomach_cancer GAP_HIGH 0.29 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) benzthiazide sarcoma GAP_HIGH 0.29 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in sarcoma cell model. Expected: similar to methyclothiazide (Jaccard=0.62) bimatoprost alzheimers_disease GAP_HIGH 0.29 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost parkinsons_disease GAP_HIGH 0.29 0.6 cyproheptadine High-priority: Binding assay bimatoprost→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.60) alcaftadine obesity GAP_HIGH 0.2899 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine pancreatic_cancer GAP_HIGH 0.2899 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine ulcerative_colitis GAP_HIGH 0.2899 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil pancreatitis GAP_HIGH 0.2899 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in pancreatitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen duodenum_cancer GAP_HIGH 0.2899 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen gallbladder_cancer GAP_HIGH 0.2899 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) bimatoprost amyotrophic_lateral_sclerosis GAP_HIGH 0.2899 0.6 cyproheptadine High-priority: Binding assay bimatoprost→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=0.60) bimatoprost autistic_disorder GAP_HIGH 0.2899 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost nicotine_dependence GAP_HIGH 0.2899 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.60) clotiazepam asthma GAP_HIGH 0.2898 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in asthma cell model. Expected: similar to cinolazepam (Jaccard=0.83) clotiazepam atopic_dermatitis GAP_HIGH 0.2898 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in atopic_dermatitis cell model. Expected: similar to cinolazepam (Jaccard=0.83) clotiazepam colon_cancer GAP_HIGH 0.2898 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in colon_cancer cell model. Expected: similar to cinolazepam (Jaccard=0.83) loratadine uterine_cancer GAP_HIGH 0.2898 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in uterine_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) clotiazepam hypertension GAP_HIGH 0.2897 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in hypertension cell model. Expected: similar to cinolazepam (Jaccard=0.83) loratadine sarcoma GAP_HIGH 0.2897 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.75) bimatoprost attention_deficit_hyperactivity_disorder GAP_HIGH 0.2897 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.60) regadenoson stomach_cancer GAP_HIGH 0.2896 0.7777777777777778 clofarabine High-priority: Binding assay regadenoson→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.78) remifentanil lung_cancer GAP_HIGH 0.2896 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil rectum_cancer GAP_HIGH 0.2896 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen sclerosing_cholangitis GAP_HIGH 0.2896 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.64) benzthiazide skin_cancer GAP_HIGH 0.2896 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in skin_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) clodronate intracranial_aneurysm GAP_HIGH 0.2895 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in intracranial_aneurysm cell model. Expected: similar to etidronic_acid (Jaccard=1.00) fluspirilene chronic_obstructive_pulmonary_disease GAP_HIGH 0.2895 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepotastine (Jaccard=1.00) clotiazepam osteoporosis GAP_HIGH 0.2895 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in osteoporosis cell model. Expected: similar to cinolazepam (Jaccard=0.83) clotiazepam ovarian_cancer GAP_HIGH 0.2895 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in ovarian_cancer cell model. Expected: similar to cinolazepam (Jaccard=0.83) halazepam alcohol_dependence GAP_HIGH 0.2895 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.67) baclofen creutzfeldt-jakob_disease GAP_HIGH 0.2895 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.64) benzthiazide vaginal_cancer GAP_HIGH 0.2895 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in vaginal_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) fluspirilene epilepsy_syndrome GAP_HIGH 0.2894 1.0 droperidol High-priority: Binding assay fluspirilene→?; validate in epilepsy_syndrome cell model. Expected: similar to droperidol (Jaccard=1.00) remifentanil liver_cancer GAP_HIGH 0.2894 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide vascular_cancer GAP_HIGH 0.2894 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in vascular_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.62) bimatoprost asthma GAP_HIGH 0.2894 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost conduct_disorder GAP_HIGH 0.2894 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost panic_disorder GAP_HIGH 0.2894 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost schizophrenia GAP_HIGH 0.2894 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=0.60) fluspirilene pancreatitis GAP_HIGH 0.2893 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in pancreatitis cell model. Expected: similar to bepotastine (Jaccard=1.00) alcaftadine polycystic_ovary_syndrome GAP_HIGH 0.2893 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine type_2_diabetes_mellitus GAP_HIGH 0.2893 0.75 raloxifene High-priority: Binding assay alcaftadine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.75) bimatoprost allergic_rhinitis GAP_HIGH 0.2893 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost atopic_dermatitis GAP_HIGH 0.2893 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in atopic_dermatitis cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost breast_cancer GAP_HIGH 0.2893 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost colon_cancer GAP_HIGH 0.2893 0.6 cyproheptadine High-priority: Binding assay bimatoprost→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.60) bimatoprost hypertension GAP_HIGH 0.2893 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.60) methylprednisolone gout GAP_HIGH 0.2892 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in gout cell model. Expected: similar to fluorometholone (Jaccard=1.00) loratadine testicular_cancer GAP_HIGH 0.2892 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in testicular_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine vaginal_cancer GAP_HIGH 0.2892 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in vaginal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil peripheral_nervous_system_neoplasm GAP_HIGH 0.2892 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.71) bimatoprost bipolar_disorder GAP_HIGH 0.2892 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.60) baclofen ankylosing_spondylitis GAP_HIGH 0.2891 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.64) bimatoprost endogenous_depression GAP_HIGH 0.2891 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost psoriasis GAP_HIGH 0.2891 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in psoriasis cell model. Expected: similar to alcaftadine (Jaccard=0.60) methylprednisolone hematologic_cancer GAP_HIGH 0.289 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in hematologic_cancer cell model. Expected: similar to fluorometholone (Jaccard=1.00) loratadine obesity GAP_HIGH 0.289 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.75) bimatoprost migraine GAP_HIGH 0.289 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost multiple_sclerosis GAP_HIGH 0.289 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost osteoporosis GAP_HIGH 0.289 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in osteoporosis cell model. Expected: similar to alcaftadine (Jaccard=0.60) bimatoprost ovarian_cancer GAP_HIGH 0.289 0.6 cyproheptadine High-priority: Binding assay bimatoprost→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.60) regadenoson skin_cancer GAP_HIGH 0.2889 0.7777777777777778 clofarabine High-priority: Binding assay regadenoson→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.78) baclofen epilepsy_syndrome GAP_HIGH 0.2889 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) remifentanil colon_cancer GAP_HIGH 0.2888 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in colon_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) benzthiazide restless_legs_syndrome GAP_HIGH 0.2888 0.625 methyclothiazide High-priority: Binding assay benzthiazide→?; validate in restless_legs_syndrome cell model. Expected: similar to methyclothiazide (Jaccard=0.62) bimatoprost systemic_lupus_erythematosus GAP_HIGH 0.2888 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to alcaftadine (Jaccard=0.60) clodronate malignant_glioma GAP_HIGH 0.2887 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in malignant_glioma cell model. Expected: similar to etidronic_acid (Jaccard=1.00) remifentanil hypertension GAP_HIGH 0.2887 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in hypertension cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil stomach_cancer GAP_HIGH 0.2887 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in stomach_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clotiazepam systemic_scleroderma GAP_HIGH 0.2886 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in systemic_scleroderma cell model. Expected: similar to cinolazepam (Jaccard=0.83) remifentanil pancreatic_cancer GAP_HIGH 0.2886 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in pancreatic_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil ulcerative_colitis GAP_HIGH 0.2886 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clodronate nephrolithiasis GAP_HIGH 0.2885 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in nephrolithiasis cell model. Expected: similar to etidronic_acid (Jaccard=1.00) remifentanil multiple_sclerosis GAP_HIGH 0.2885 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in multiple_sclerosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil osteoporosis GAP_HIGH 0.2885 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in osteoporosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil ovarian_cancer GAP_HIGH 0.2885 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in ovarian_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil psoriasis GAP_HIGH 0.2885 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in psoriasis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) bimatoprost osteoarthritis GAP_HIGH 0.2885 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in osteoarthritis cell model. Expected: similar to alcaftadine (Jaccard=0.60) loratadine polycystic_ovary_syndrome GAP_HIGH 0.2884 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine type_2_diabetes_mellitus GAP_HIGH 0.2884 0.75 raloxifene High-priority: Binding assay loratadine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.75) remifentanil sarcoma GAP_HIGH 0.2884 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen lung_cancer GAP_HIGH 0.2884 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen alzheimers_disease GAP_HIGH 0.2883 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.64) remifentanil systemic_lupus_erythematosus GAP_HIGH 0.2882 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen autistic_disorder GAP_HIGH 0.2882 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen nicotine_dependence GAP_HIGH 0.2882 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen parkinsons_disease GAP_HIGH 0.2882 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in parkinsons_disease cell model. Expected: similar to suprofen (Jaccard=0.64) fluspirilene colon_cancer GAP_HIGH 0.2881 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in colon_cancer cell model. Expected: similar to bepotastine (Jaccard=1.00) baclofen amyotrophic_lateral_sclerosis GAP_HIGH 0.2881 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) bimatoprost systemic_scleroderma GAP_HIGH 0.2881 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in systemic_scleroderma cell model. Expected: similar to alcaftadine (Jaccard=0.60) remifentanil osteoarthritis GAP_HIGH 0.288 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in osteoarthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil skin_cancer GAP_HIGH 0.288 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in skin_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) fluspirilene psoriasis GAP_HIGH 0.2879 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in psoriasis cell model. Expected: similar to bepotastine (Jaccard=1.00) remifentanil testicular_cancer GAP_HIGH 0.2879 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in testicular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen attention_deficit_hyperactivity_disorder GAP_HIGH 0.2879 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) fluspirilene migraine GAP_HIGH 0.2878 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in migraine cell model. Expected: similar to bepotastine (Jaccard=1.00) fluspirilene ovarian_cancer GAP_HIGH 0.2878 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in ovarian_cancer cell model. Expected: similar to bepotastine (Jaccard=1.00) bimatoprost restless_legs_syndrome GAP_HIGH 0.2878 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in restless_legs_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.60) quinapril hypertension GAP_HIGH 0.2877 0.75 cilazapril High-priority: Binding assay quinapril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.75) remifentanil vascular_cancer GAP_HIGH 0.2877 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen panic_disorder GAP_HIGH 0.2877 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) clotiazepam psoriatic_arthritis GAP_HIGH 0.2876 0.8333333333333334 cinolazepam High-priority: Binding assay clotiazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to cinolazepam (Jaccard=0.83) baclofen asthma GAP_HIGH 0.2876 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen colon_cancer GAP_HIGH 0.2876 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.64) baclofen conduct_disorder GAP_HIGH 0.2876 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen schizophrenia GAP_HIGH 0.2876 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.64) baclofen allergic_rhinitis GAP_HIGH 0.2875 0.6363636363636364 melphalan High-priority: Binding assay baclofen→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.64) baclofen bipolar_disorder GAP_HIGH 0.2875 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) zolmitriptan psoriasis GAP_HIGH 0.2874 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in psoriasis cell model. Expected: similar to midodrine (Jaccard=0.82) zolmitriptan ulcerative_colitis GAP_HIGH 0.2874 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in ulcerative_colitis cell model. Expected: similar to midodrine (Jaccard=0.82) remifentanil uterine_fibroid GAP_HIGH 0.2874 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.71) baclofen endogenous_depression GAP_HIGH 0.2874 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.64) bimatoprost rheumatoid_arthritis GAP_HIGH 0.2874 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in rheumatoid_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.60) fluspirilene osteoarthritis GAP_HIGH 0.2873 1.0 bepotastine High-priority: Binding assay fluspirilene→?; validate in osteoarthritis cell model. Expected: similar to bepotastine (Jaccard=1.00) methylprednisolone ankylosing_spondylitis GAP_HIGH 0.2873 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in ankylosing_spondylitis cell model. Expected: similar to fluorometholone (Jaccard=1.00) zolmitriptan migraine GAP_HIGH 0.2873 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in migraine cell model. Expected: similar to midodrine (Jaccard=0.82) zolmitriptan osteoporosis GAP_HIGH 0.2873 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in osteoporosis cell model. Expected: similar to midodrine (Jaccard=0.82) baclofen multiple_sclerosis GAP_HIGH 0.2873 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) baclofen psoriasis GAP_HIGH 0.2873 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.64) baclofen migraine GAP_HIGH 0.2872 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in migraine cell model. Expected: similar to suprofen (Jaccard=0.64) bimatoprost psoriatic_arthritis GAP_HIGH 0.2872 0.6 alcaftadine High-priority: Binding assay bimatoprost→?; validate in psoriatic_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.60) zolmitriptan systemic_lupus_erythematosus GAP_HIGH 0.2871 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to midodrine (Jaccard=0.82) remifentanil rheumatoid_arthritis GAP_HIGH 0.2869 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) remifentanil psoriatic_arthritis GAP_HIGH 0.2866 0.7142857142857143 cyclopentolate High-priority: Binding assay remifentanil→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) zolmitriptan systemic_scleroderma GAP_HIGH 0.2864 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in systemic_scleroderma cell model. Expected: similar to midodrine (Jaccard=0.82) pralatrexate larynx_cancer GAP_HIGH 0.2861 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) clodronate penile_cancer GAP_HIGH 0.286 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in penile_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) baclofen restless_legs_syndrome GAP_HIGH 0.286 0.6363636363636364 suprofen High-priority: Binding assay baclofen→?; validate in restless_legs_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) methylprednisolone asthma GAP_HIGH 0.2859 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in asthma cell model. Expected: similar to fluorometholone (Jaccard=1.00) ramipril type_1_diabetes_mellitus GAP_HIGH 0.2859 1.0 trandolapril High-priority: Binding assay ramipril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to trandolapril (Jaccard=1.00) methylprednisolone atopic_dermatitis GAP_HIGH 0.2858 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in atopic_dermatitis cell model. Expected: similar to fluorometholone (Jaccard=1.00) clodronate malignant_mesothelioma GAP_HIGH 0.2857 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in malignant_mesothelioma cell model. Expected: similar to etidronic_acid (Jaccard=1.00) methylprednisolone allergic_rhinitis GAP_HIGH 0.2857 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in allergic_rhinitis cell model. Expected: similar to fluorometholone (Jaccard=1.00) methylprednisolone ulcerative_colitis GAP_HIGH 0.2856 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in ulcerative_colitis cell model. Expected: similar to fluorometholone (Jaccard=1.00) conivaptan rheumatoid_arthritis GAP_HIGH 0.2856 0.6666666666666666 pitavastatin High-priority: Binding assay conivaptan→?; validate in rheumatoid_arthritis cell model. Expected: similar to pitavastatin (Jaccard=0.67) methylprednisolone multiple_sclerosis GAP_HIGH 0.2855 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in multiple_sclerosis cell model. Expected: similar to fluorometholone (Jaccard=1.00) zolmitriptan psoriatic_arthritis GAP_HIGH 0.2855 0.8181818181818182 midodrine High-priority: Binding assay zolmitriptan→?; validate in psoriatic_arthritis cell model. Expected: similar to midodrine (Jaccard=0.82) methylprednisolone systemic_lupus_erythematosus GAP_HIGH 0.2852 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to fluorometholone (Jaccard=1.00) methylprednisolone osteoarthritis GAP_HIGH 0.285 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in osteoarthritis cell model. Expected: similar to fluorometholone (Jaccard=1.00) telmisartan coronary_artery_disease GAP_HIGH 0.285 1.0 eprosartan High-priority: Binding assay telmisartan→?; validate in coronary_artery_disease cell model. Expected: similar to eprosartan (Jaccard=1.00) labetalol hepatitis_b GAP_HIGH 0.2847 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.60) clodronate thymus_cancer GAP_HIGH 0.2842 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in thymus_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) methylprednisolone rheumatoid_arthritis GAP_HIGH 0.2839 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in rheumatoid_arthritis cell model. Expected: similar to fluorometholone (Jaccard=1.00) methylprednisolone psoriatic_arthritis GAP_HIGH 0.2837 1.0 fluorometholone High-priority: Binding assay methylprednisolone→?; validate in psoriatic_arthritis cell model. Expected: similar to fluorometholone (Jaccard=1.00) disopyramide celiac_disease GAP_HIGH 0.2834 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.75) tenofovir acquired_immunodeficiency_syndrome GAP_HIGH 0.2834 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to cladribine (Jaccard=0.60) bimatoprost glaucoma GAP_HIGH 0.2833 0.5555555555555556 tafluprost High-priority: Binding assay bimatoprost→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.56) clodronate melanoma GAP_HIGH 0.2832 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in melanoma cell model. Expected: similar to etidronic_acid (Jaccard=1.00) estradiol_valeratedienogest alcohol_dependence GAP_HIGH 0.2831 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.83) butabarbital duodenum_cancer GAP_HIGH 0.283 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital gallbladder_cancer GAP_HIGH 0.283 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) nelarabine hepatitis_b GAP_HIGH 0.283 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in hepatitis_b cell model. Expected: similar to emtricitabine (Jaccard=0.50) doxapram azoospermia GAP_HIGH 0.2828 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in azoospermia cell model. Expected: similar to bepridil (Jaccard=0.71) pralatrexate brain_cancer GAP_HIGH 0.2827 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate intracranial_aneurysm GAP_HIGH 0.2827 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.71) butabarbital creutzfeldt-jakob_disease GAP_HIGH 0.2826 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clobazam (Jaccard=0.73) pralatrexate head_and_neck_cancer GAP_HIGH 0.2819 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate malignant_glioma GAP_HIGH 0.2819 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate kidney_cancer GAP_HIGH 0.2818 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate nephrolithiasis GAP_HIGH 0.2817 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in nephrolithiasis cell model. Expected: similar to methotrexate (Jaccard=0.71) clodronate liver_cancer GAP_HIGH 0.2815 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in liver_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) labetalol gilles_de_la_tourette_syndrome GAP_HIGH 0.2815 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.60) trifluridine lymphatic_system_cancer GAP_HIGH 0.2815 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in lymphatic_system_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) butabarbital lung_cancer GAP_HIGH 0.2814 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital rectum_cancer GAP_HIGH 0.2814 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) clodronate urinary_bladder_cancer GAP_HIGH 0.2813 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in urinary_bladder_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) butabarbital alzheimers_disease GAP_HIGH 0.2813 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in alzheimers_disease cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital liver_cancer GAP_HIGH 0.2813 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital parkinsons_disease GAP_HIGH 0.2813 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in parkinsons_disease cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.2812 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital autistic_disorder GAP_HIGH 0.2812 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in autistic_disorder cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital nicotine_dependence GAP_HIGH 0.2812 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in nicotine_dependence cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.281 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to clobazam (Jaccard=0.73) clodronate colon_cancer GAP_HIGH 0.2808 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in colon_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) clodronate stomach_cancer GAP_HIGH 0.2808 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in stomach_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) tolazoline osteoarthritis GAP_HIGH 0.2808 0.8 phenformin High-priority: Binding assay tolazoline→?; validate in osteoarthritis cell model. Expected: similar to phenformin (Jaccard=0.80) clodronate pancreatic_cancer GAP_HIGH 0.2807 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in pancreatic_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) butabarbital conduct_disorder GAP_HIGH 0.2807 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in conduct_disorder cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital panic_disorder GAP_HIGH 0.2807 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in panic_disorder cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital schizophrenia GAP_HIGH 0.2807 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in schizophrenia cell model. Expected: similar to clobazam (Jaccard=0.73) tolazoline obesity GAP_HIGH 0.2806 0.8 phenformin High-priority: Binding assay tolazoline→?; validate in obesity cell model. Expected: similar to phenformin (Jaccard=0.80) butabarbital allergic_rhinitis GAP_HIGH 0.2806 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in allergic_rhinitis cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital breast_cancer GAP_HIGH 0.2806 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in breast_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital colon_cancer GAP_HIGH 0.2806 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in colon_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital hypertension GAP_HIGH 0.2806 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in hypertension cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital stomach_cancer GAP_HIGH 0.2806 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) doxapram crohns_disease GAP_HIGH 0.2806 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in crohns_disease cell model. Expected: similar to bepridil (Jaccard=0.71) entecavir hepatitis_b GAP_HIGH 0.2806 0.6 abacavir High-priority: Binding assay entecavir→?; validate in hepatitis_b cell model. Expected: similar to abacavir (Jaccard=0.60) clodronate ovarian_cancer GAP_HIGH 0.2805 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in ovarian_cancer cell model. Expected: similar to etidronic_acid (Jaccard=1.00) butabarbital bipolar_disorder GAP_HIGH 0.2805 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in bipolar_disorder cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital pancreatic_cancer GAP_HIGH 0.2805 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) selegiline endogenous_depression GAP_HIGH 0.2804 1.0 mephentermine High-priority: Binding assay selegiline→?; validate in endogenous_depression cell model. Expected: similar to mephentermine (Jaccard=1.00) tolazoline systemic_scleroderma GAP_HIGH 0.2804 0.8 phenformin High-priority: Binding assay tolazoline→?; validate in systemic_scleroderma cell model. Expected: similar to phenformin (Jaccard=0.80) butabarbital endogenous_depression GAP_HIGH 0.2804 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in endogenous_depression cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital ulcerative_colitis GAP_HIGH 0.2804 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital ovarian_cancer GAP_HIGH 0.2803 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in ovarian_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital uterine_cancer GAP_HIGH 0.2803 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) tolazoline polycystic_ovary_syndrome GAP_HIGH 0.28 0.8 phenformin High-priority: Binding assay tolazoline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenformin (Jaccard=0.80) tolazoline type_2_diabetes_mellitus GAP_HIGH 0.28 0.8 phenformin High-priority: Binding assay tolazoline→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenformin (Jaccard=0.80) disopyramide crohns_disease GAP_HIGH 0.2799 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.75) butabarbital osteoarthritis GAP_HIGH 0.2798 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in osteoarthritis cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital vaginal_cancer GAP_HIGH 0.2798 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) butabarbital vulva_cancer GAP_HIGH 0.2798 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) abacavir acquired_immunodeficiency_syndrome GAP_HIGH 0.2798 0.6 entecavir High-priority: Binding assay abacavir→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to entecavir (Jaccard=0.60) butabarbital testicular_cancer GAP_HIGH 0.2797 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.73) doxapram coronary_artery_disease GAP_HIGH 0.2797 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram narcolepsy GAP_HIGH 0.2797 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in narcolepsy cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine malignant_mesothelioma GAP_HIGH 0.2797 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in malignant_mesothelioma cell model. Expected: similar to telbivudine (Jaccard=0.60) butabarbital uterine_fibroid GAP_HIGH 0.2793 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.73) clodronate vitiligo GAP_HIGH 0.2791 1.0 etidronic_acid High-priority: Binding assay clodronate→?; validate in vitiligo cell model. Expected: similar to etidronic_acid (Jaccard=1.00) butabarbital polycystic_ovary_syndrome GAP_HIGH 0.279 0.7333333333333333 clobazam High-priority: Binding assay butabarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.73) eplerenone head_and_neck_cancer GAP_HIGH 0.2789 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) prednicarbate metabolic_syndrome_x GAP_HIGH 0.2787 0.8571428571428571 eplerenone High-priority: Binding assay prednicarbate→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.86) doxapram creutzfeldt-jakob_disease GAP_HIGH 0.2785 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to bepridil (Jaccard=0.71) prednicarbate obesity GAP_HIGH 0.2783 0.8571428571428571 eplerenone High-priority: Binding assay prednicarbate→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.86) calcipotriol psoriasis GAP_HIGH 0.2783 0.8333333333333334 paricalcitol High-priority: Binding assay calcipotriol→?; validate in psoriasis cell model. Expected: similar to paricalcitol (Jaccard=0.83) trifluridine mediastinal_cancer GAP_HIGH 0.2783 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in mediastinal_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) trifluridine thymus_cancer GAP_HIGH 0.2781 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in thymus_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) labetalol membranous_glomerulonephritis GAP_HIGH 0.278 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.60) disopyramide sclerosing_cholangitis GAP_HIGH 0.2779 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram chronic_obstructive_pulmonary_disease GAP_HIGH 0.2779 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.71) tolazamide type_2_diabetes_mellitus GAP_HIGH 0.2779 0.7 gliquidone High-priority: Binding assay tolazamide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.70) prednicarbate type_2_diabetes_mellitus GAP_HIGH 0.2778 0.8571428571428571 eplerenone High-priority: Binding assay prednicarbate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.86) disopyramide creutzfeldt-jakob_disease GAP_HIGH 0.2778 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to mepenzolate (Jaccard=0.75) pralatrexate prostate_cancer GAP_HIGH 0.2777 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in prostate_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) doxapram pancreatitis GAP_HIGH 0.2776 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in pancreatitis cell model. Expected: similar to bepridil (Jaccard=0.71) disopyramide ankylosing_spondylitis GAP_HIGH 0.2774 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.75) pralatrexate gout GAP_HIGH 0.2774 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate primary_biliary_cirrhosis GAP_HIGH 0.2774 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methotrexate (Jaccard=0.71) disopyramide epilepsy_syndrome GAP_HIGH 0.2772 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in epilepsy_syndrome cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram parkinsons_disease GAP_HIGH 0.2772 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in parkinsons_disease cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine melanoma GAP_HIGH 0.2772 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in melanoma cell model. Expected: similar to telbivudine (Jaccard=0.60) desogestrel alopecia_areata GAP_HIGH 0.2771 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in alopecia_areata cell model. Expected: similar to norethindrone (Jaccard=0.80) doxapram amyotrophic_lateral_sclerosis GAP_HIGH 0.2771 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram nicotine_dependence GAP_HIGH 0.2771 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in nicotine_dependence cell model. Expected: similar to bepridil (Jaccard=0.71) disopyramide pancreatitis GAP_HIGH 0.277 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.75) adinazolam alcohol_dependence GAP_HIGH 0.2765 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.71) doxapram stomach_cancer GAP_HIGH 0.2765 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.71) disopyramide amyotrophic_lateral_sclerosis GAP_HIGH 0.2764 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram pancreatic_cancer GAP_HIGH 0.2764 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.71) pralatrexate duodenum_cancer GAP_HIGH 0.2764 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in duodenum_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate gallbladder_cancer GAP_HIGH 0.2764 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in gallbladder_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) nelarabine membranous_glomerulonephritis GAP_HIGH 0.2763 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to emtricitabine (Jaccard=0.50) doxapram multiple_sclerosis GAP_HIGH 0.2762 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in multiple_sclerosis cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram osteoporosis GAP_HIGH 0.2762 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in osteoporosis cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine thyroid_cancer GAP_HIGH 0.2762 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in thyroid_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) orlistat glaucoma GAP_HIGH 0.2761 0.5 sodium_lauryl_sulfate High-priority: Binding assay orlistat→?; validate in glaucoma cell model. Expected: similar to sodium_lauryl_sulfate (Jaccard=0.50) doxapram systemic_lupus_erythematosus GAP_HIGH 0.276 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to bepridil (Jaccard=0.71) pralatrexate sclerosing_cholangitis GAP_HIGH 0.276 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in sclerosing_cholangitis cell model. Expected: similar to methotrexate (Jaccard=0.71) trifluridine esophageal_cancer GAP_HIGH 0.276 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) disopyramide breast_cancer GAP_HIGH 0.2759 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in breast_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram metabolic_syndrome_x GAP_HIGH 0.2759 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in metabolic_syndrome_x cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine pancreatitis GAP_HIGH 0.2759 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in pancreatitis cell model. Expected: similar to telbivudine (Jaccard=0.60) pirbuterol alzheimers_disease GAP_HIGH 0.2758 0.8 salbutamol High-priority: Binding assay pirbuterol→?; validate in alzheimers_disease cell model. Expected: similar to salbutamol (Jaccard=0.80) pirbuterol parkinsons_disease GAP_HIGH 0.2758 0.8 salbutamol High-priority: Binding assay pirbuterol→?; validate in parkinsons_disease cell model. Expected: similar to salbutamol (Jaccard=0.80) disopyramide colon_cancer GAP_HIGH 0.2758 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in colon_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram skin_cancer GAP_HIGH 0.2758 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.71) disopyramide ulcerative_colitis GAP_HIGH 0.2757 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.75) trifluridine muscle_cancer GAP_HIGH 0.2757 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in muscle_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) disopyramide multiple_sclerosis GAP_HIGH 0.2756 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in multiple_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.75) disopyramide ovarian_cancer GAP_HIGH 0.2756 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in ovarian_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.75) disopyramide psoriasis GAP_HIGH 0.2756 0.75 mepenzolate High-priority: Binding assay disopyramide→?; validate in psoriasis cell model. Expected: similar to mepenzolate (Jaccard=0.75) doxapram testicular_cancer GAP_HIGH 0.2756 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram obesity GAP_HIGH 0.2755 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in obesity cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram vascular_cancer GAP_HIGH 0.2755 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.71) labetalol gout GAP_HIGH 0.2754 0.6 desipramine High-priority: Binding assay labetalol→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol primary_biliary_cirrhosis GAP_HIGH 0.2754 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.60) doxapram systemic_scleroderma GAP_HIGH 0.2753 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in systemic_scleroderma cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine urinary_bladder_cancer GAP_HIGH 0.2753 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in urinary_bladder_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) pralatrexate pancreatitis GAP_HIGH 0.2751 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in pancreatitis cell model. Expected: similar to methotrexate (Jaccard=0.71) ramipril type_2_diabetes_mellitus GAP_HIGH 0.275 1.0 trandolapril High-priority: Binding assay ramipril→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to trandolapril (Jaccard=1.00) doxapram polycystic_ovary_syndrome GAP_HIGH 0.2749 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to bepridil (Jaccard=0.71) doxapram type_2_diabetes_mellitus GAP_HIGH 0.2749 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to bepridil (Jaccard=0.71) equilin hypothyroidism GAP_HIGH 0.2749 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.33) atenolol larynx_cancer GAP_HIGH 0.2748 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel intracranial_aneurysm GAP_HIGH 0.2748 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in intracranial_aneurysm cell model. Expected: similar to norethindrone (Jaccard=0.80) eplerenone idiopathic_pulmonary_fibrosis GAP_HIGH 0.2747 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to prednicarbate (Jaccard=0.86) pralatrexate liver_cancer GAP_HIGH 0.2747 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in liver_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) doxapram rheumatoid_arthritis GAP_HIGH 0.2746 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in rheumatoid_arthritis cell model. Expected: similar to bepridil (Jaccard=0.71) trifluridine ulcerative_colitis GAP_HIGH 0.2746 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in ulcerative_colitis cell model. Expected: similar to telbivudine (Jaccard=0.60) eplerenone mediastinal_cancer GAP_HIGH 0.2745 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) trifluridine uterine_cancer GAP_HIGH 0.2745 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in uterine_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) doxapram psoriatic_arthritis GAP_HIGH 0.2744 0.7142857142857143 bepridil High-priority: Binding assay doxapram→?; validate in psoriatic_arthritis cell model. Expected: similar to bepridil (Jaccard=0.71) eplerenone thymus_cancer GAP_HIGH 0.2743 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) labetalol duodenum_cancer GAP_HIGH 0.2743 0.6 desipramine High-priority: Binding assay labetalol→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol gallbladder_cancer GAP_HIGH 0.2743 0.6 desipramine High-priority: Binding assay labetalol→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) quinestrol brain_cancer GAP_HIGH 0.2742 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in brain_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) trifluridine skin_cancer GAP_HIGH 0.2741 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in skin_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) desogestrel malignant_glioma GAP_HIGH 0.274 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in malignant_glioma cell model. Expected: similar to norethindrone (Jaccard=0.80) clofarabine hematologic_cancer GAP_HIGH 0.274 0.7777777777777778 regadenoson High-priority: Binding assay clofarabine→?; validate in hematologic_cancer cell model. Expected: similar to regadenoson (Jaccard=0.78) labetalol creutzfeldt-jakob_disease GAP_HIGH 0.274 0.6 desipramine High-priority: Binding assay labetalol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to desipramine (Jaccard=0.60) pralatrexate pancreatic_cancer GAP_HIGH 0.2739 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in pancreatic_cancer cell model. Expected: similar to methotrexate (Jaccard=0.71) halazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.2739 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to midazolam (Jaccard=0.67) trifluridine testicular_cancer GAP_HIGH 0.2739 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in testicular_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) trifluridine vaginal_cancer GAP_HIGH 0.2739 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in vaginal_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) trifluridine vulva_cancer GAP_HIGH 0.2739 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in vulva_cancer cell model. Expected: similar to telbivudine (Jaccard=0.60) pralatrexate ulcerative_colitis GAP_HIGH 0.2738 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in ulcerative_colitis cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate osteoporosis GAP_HIGH 0.2737 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in osteoporosis cell model. Expected: similar to methotrexate (Jaccard=0.71) nelarabine primary_biliary_cirrhosis GAP_HIGH 0.2737 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to emtricitabine (Jaccard=0.50) trifluridine nephrolithiasis GAP_HIGH 0.2736 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in nephrolithiasis cell model. Expected: similar to gemcitabine (Jaccard=0.57) labetalol ankylosing_spondylitis GAP_HIGH 0.2735 0.6 desipramine High-priority: Binding assay labetalol→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.60) trifluridine uterine_fibroid GAP_HIGH 0.2735 0.6 telbivudine High-priority: Binding assay trifluridine→?; validate in uterine_fibroid cell model. Expected: similar to telbivudine (Jaccard=0.60) nelarabine hematologic_cancer GAP_HIGH 0.2735 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in hematologic_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.50) eplerenone melanoma GAP_HIGH 0.2734 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in melanoma cell model. Expected: similar to prednicarbate (Jaccard=0.86) labetalol epilepsy_syndrome GAP_HIGH 0.2733 0.6 desipramine High-priority: Binding assay labetalol→?; validate in epilepsy_syndrome cell model. Expected: similar to desipramine (Jaccard=0.60) mepenzolate osteoporosis GAP_HIGH 0.2732 0.75 disopyramide High-priority: Binding assay mepenzolate→?; validate in osteoporosis cell model. Expected: similar to disopyramide (Jaccard=0.75) pralatrexate osteoarthritis GAP_HIGH 0.2732 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in osteoarthritis cell model. Expected: similar to methotrexate (Jaccard=0.71) flutamide prostate_cancer GAP_HIGH 0.2732 0.6666666666666666 enzalutamide High-priority: Binding assay flutamide→?; validate in prostate_cancer cell model. Expected: similar to enzalutamide (Jaccard=0.67) pemetrexed larynx_cancer GAP_HIGH 0.273 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in larynx_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) solifenacin chronic_obstructive_pulmonary_disease GAP_HIGH 0.273 0.5 imipramine High-priority: Binding assay solifenacin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to imipramine (Jaccard=0.50) labetalol lung_cancer GAP_HIGH 0.2728 0.6 desipramine High-priority: Binding assay labetalol→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol rectum_cancer GAP_HIGH 0.2728 0.6 desipramine High-priority: Binding assay labetalol→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) eplerenone pharynx_cancer GAP_HIGH 0.2727 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in pharynx_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) labetalol alzheimers_disease GAP_HIGH 0.2727 0.6 desipramine High-priority: Binding assay labetalol→?; validate in alzheimers_disease cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol parkinsons_disease GAP_HIGH 0.2727 0.6 desipramine High-priority: Binding assay labetalol→?; validate in parkinsons_disease cell model. Expected: similar to desipramine (Jaccard=0.60) glipizide type_2_diabetes_mellitus GAP_HIGH 0.2726 0.7777777777777778 gliquidone High-priority: Binding assay glipizide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.78) labetalol amyotrophic_lateral_sclerosis GAP_HIGH 0.2726 0.6 desipramine High-priority: Binding assay labetalol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol autistic_disorder GAP_HIGH 0.2726 0.6 desipramine High-priority: Binding assay labetalol→?; validate in autistic_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol liver_cancer GAP_HIGH 0.2726 0.6 desipramine High-priority: Binding assay labetalol→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol nicotine_dependence GAP_HIGH 0.2726 0.6 desipramine High-priority: Binding assay labetalol→?; validate in nicotine_dependence cell model. Expected: similar to desipramine (Jaccard=0.60) milnacipran type_1_diabetes_mellitus GAP_HIGH 0.2725 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) beclomethasone dilated_cardiomyopathy GAP_HIGH 0.2724 0.9166666666666666 rimexolone High-priority: Binding assay beclomethasone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.92) eplerenone thyroid_cancer GAP_HIGH 0.2724 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in thyroid_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) pralatrexate polycystic_ovary_syndrome GAP_HIGH 0.2724 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to methotrexate (Jaccard=0.71) pralatrexate type_2_diabetes_mellitus GAP_HIGH 0.2724 0.7142857142857143 methotrexate High-priority: Binding assay pralatrexate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methotrexate (Jaccard=0.71) labetalol attention_deficit_hyperactivity_disorder GAP_HIGH 0.2724 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alvimopan (Jaccard=0.60) eplerenone salivary_gland_cancer GAP_HIGH 0.2721 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in salivary_gland_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) labetalol asthma GAP_HIGH 0.2721 0.6 desipramine High-priority: Binding assay labetalol→?; validate in asthma cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol panic_disorder GAP_HIGH 0.2721 0.6 desipramine High-priority: Binding assay labetalol→?; validate in panic_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol schizophrenia GAP_HIGH 0.2721 0.6 desipramine High-priority: Binding assay labetalol→?; validate in schizophrenia cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol atopic_dermatitis GAP_HIGH 0.272 0.6 desipramine High-priority: Binding assay labetalol→?; validate in atopic_dermatitis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol breast_cancer GAP_HIGH 0.272 0.6 desipramine High-priority: Binding assay labetalol→?; validate in breast_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol colon_cancer GAP_HIGH 0.272 0.6 desipramine High-priority: Binding assay labetalol→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol conduct_disorder GAP_HIGH 0.272 0.6 desipramine High-priority: Binding assay labetalol→?; validate in conduct_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) desogestrel germ_cell_cancer GAP_HIGH 0.2719 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in germ_cell_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) labetalol allergic_rhinitis GAP_HIGH 0.2719 0.6 desipramine High-priority: Binding assay labetalol→?; validate in allergic_rhinitis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol bipolar_disorder GAP_HIGH 0.2719 0.6 desipramine High-priority: Binding assay labetalol→?; validate in bipolar_disorder cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol pancreatic_cancer GAP_HIGH 0.2719 0.6 desipramine High-priority: Binding assay labetalol→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol stomach_cancer GAP_HIGH 0.2719 0.6 desipramine High-priority: Binding assay labetalol→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) halazepam chronic_kidney_failure GAP_HIGH 0.2718 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to midazolam (Jaccard=0.67) labetalol endogenous_depression GAP_HIGH 0.2718 0.6 desipramine High-priority: Binding assay labetalol→?; validate in endogenous_depression cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol psoriasis GAP_HIGH 0.2718 0.6 desipramine High-priority: Binding assay labetalol→?; validate in psoriasis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol ulcerative_colitis GAP_HIGH 0.2718 0.6 desipramine High-priority: Binding assay labetalol→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol migraine GAP_HIGH 0.2717 0.6 desipramine High-priority: Binding assay labetalol→?; validate in migraine cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol multiple_sclerosis GAP_HIGH 0.2717 0.6 desipramine High-priority: Binding assay labetalol→?; validate in multiple_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol osteoporosis GAP_HIGH 0.2717 0.6 desipramine High-priority: Binding assay labetalol→?; validate in osteoporosis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol ovarian_cancer GAP_HIGH 0.2717 0.6 desipramine High-priority: Binding assay labetalol→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol uterine_cancer GAP_HIGH 0.2717 0.6 desipramine High-priority: Binding assay labetalol→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) trifluridine germ_cell_cancer GAP_HIGH 0.2717 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) mepenzolate rheumatoid_arthritis GAP_HIGH 0.2716 0.75 disopyramide High-priority: Binding assay mepenzolate→?; validate in rheumatoid_arthritis cell model. Expected: similar to disopyramide (Jaccard=0.75) labetalol sarcoma GAP_HIGH 0.2716 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in sarcoma cell model. Expected: similar to alvimopan (Jaccard=0.60) atenolol intracranial_aneurysm GAP_HIGH 0.2714 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.88) cytarabine lymphatic_system_cancer GAP_HIGH 0.2714 0.6 nelarabine High-priority: Binding assay cytarabine→?; validate in lymphatic_system_cancer cell model. Expected: similar to nelarabine (Jaccard=0.60) labetalol systemic_lupus_erythematosus GAP_HIGH 0.2714 0.6 desipramine High-priority: Binding assay labetalol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.60) pyrimethamine metabolic_syndrome_x GAP_HIGH 0.2714 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to triamterene (Jaccard=0.60) labetalol osteoarthritis GAP_HIGH 0.2712 0.6 desipramine High-priority: Binding assay labetalol→?; validate in osteoarthritis cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol skin_cancer GAP_HIGH 0.2712 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.60) labetalol testicular_cancer GAP_HIGH 0.2711 0.6 desipramine High-priority: Binding assay labetalol→?; validate in testicular_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol vaginal_cancer GAP_HIGH 0.2711 0.6 desipramine High-priority: Binding assay labetalol→?; validate in vaginal_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol vulva_cancer GAP_HIGH 0.2711 0.6 desipramine High-priority: Binding assay labetalol→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.60) trifluridine penile_cancer GAP_HIGH 0.2711 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in penile_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) cilazapril rheumatoid_arthritis GAP_HIGH 0.271 0.75 quinapril High-priority: Binding assay cilazapril→?; validate in rheumatoid_arthritis cell model. Expected: similar to quinapril (Jaccard=0.75) labetalol vascular_cancer GAP_HIGH 0.271 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in vascular_cancer cell model. Expected: similar to alvimopan (Jaccard=0.60) pyrimethamine obesity GAP_HIGH 0.271 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in obesity cell model. Expected: similar to triamterene (Jaccard=0.60) nelarabine liver_cancer GAP_HIGH 0.271 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in liver_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.50) doxapram celiac_disease GAP_HIGH 0.2709 0.6666666666666666 mepenzolate High-priority: Binding assay doxapram→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.67) pemetrexed esophageal_cancer GAP_HIGH 0.2709 0.6666666666666666 fluorouracil High-priority: Binding assay pemetrexed→?; validate in esophageal_cancer cell model. Expected: similar to fluorouracil (Jaccard=0.67) labetalol systemic_scleroderma GAP_HIGH 0.2708 0.6 desipramine High-priority: Binding assay labetalol→?; validate in systemic_scleroderma cell model. Expected: similar to desipramine (Jaccard=0.60) milnacipran celiac_disease GAP_HIGH 0.2707 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) labetalol uterine_fibroid GAP_HIGH 0.2707 0.6 desipramine High-priority: Binding assay labetalol→?; validate in uterine_fibroid cell model. Expected: similar to desipramine (Jaccard=0.60) calcium_acetate idiopathic_pulmonary_fibrosis GAP_HIGH 0.2707 0.4444444444444444 acetylcysteine High-priority: Binding assay calcium_acetate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to acetylcysteine (Jaccard=0.44) atenolol head_and_neck_cancer GAP_HIGH 0.2706 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) atenolol malignant_glioma GAP_HIGH 0.2706 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.88) eplerenone sarcoma GAP_HIGH 0.2706 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in sarcoma cell model. Expected: similar to prednicarbate (Jaccard=0.86) pyrimethamine polycystic_ovary_syndrome GAP_HIGH 0.2705 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to triamterene (Jaccard=0.60) pyrimethamine type_2_diabetes_mellitus GAP_HIGH 0.2705 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to triamterene (Jaccard=0.60) desogestrel meningioma GAP_HIGH 0.2704 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in meningioma cell model. Expected: similar to norethindrone (Jaccard=0.80) labetalol restless_legs_syndrome GAP_HIGH 0.2704 0.6 desipramine High-priority: Binding assay labetalol→?; validate in restless_legs_syndrome cell model. Expected: similar to desipramine (Jaccard=0.60) labetalol vitiligo GAP_HIGH 0.2703 0.6 alvimopan High-priority: Binding assay labetalol→?; validate in vitiligo cell model. Expected: similar to alvimopan (Jaccard=0.60) trifluridine meningioma GAP_HIGH 0.2703 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in meningioma cell model. Expected: similar to gemcitabine (Jaccard=0.57) eplerenone skin_cancer GAP_HIGH 0.2702 0.8571428571428571 prednicarbate High-priority: Binding assay eplerenone→?; validate in skin_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.86) pyrimethamine rheumatoid_arthritis GAP_HIGH 0.2702 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to triamterene (Jaccard=0.60) pyrimethamine psoriatic_arthritis GAP_HIGH 0.27 0.6 triamterene High-priority: Binding assay pyrimethamine→?; validate in psoriatic_arthritis cell model. Expected: similar to triamterene (Jaccard=0.60) nelarabine multiple_sclerosis GAP_HIGH 0.27 0.5 emtricitabine High-priority: Binding assay nelarabine→?; validate in multiple_sclerosis cell model. Expected: similar to emtricitabine (Jaccard=0.50) tioguanine hematologic_cancer GAP_HIGH 0.27 0.5 adenine High-priority: Binding assay tioguanine→?; validate in hematologic_cancer cell model. Expected: similar to adenine (Jaccard=0.50) trifluridine prostate_cancer GAP_HIGH 0.2696 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in prostate_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) milnacipran azoospermia GAP_HIGH 0.2694 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.71) quinestrol gout GAP_HIGH 0.2689 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in gout cell model. Expected: similar to mestranol (Jaccard=0.69) pemetrexed head_and_neck_cancer GAP_HIGH 0.2688 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in head_and_neck_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) pemetrexed malignant_glioma GAP_HIGH 0.2688 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in malignant_glioma cell model. Expected: similar to capecitabine (Jaccard=0.67) quinestrol hematologic_cancer GAP_HIGH 0.2687 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in hematologic_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) pemetrexed nephrolithiasis GAP_HIGH 0.2686 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in nephrolithiasis cell model. Expected: similar to capecitabine (Jaccard=0.67) dipivefrin glaucoma GAP_HIGH 0.2685 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in glaucoma cell model. Expected: similar to pirbuterol (Jaccard=0.75) aminoglutethimide atherosclerosis GAP_HIGH 0.2685 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.60) dextrothyroxine hypothyroidism GAP_HIGH 0.2685 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.25) atenolol germ_cell_cancer GAP_HIGH 0.2684 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel duodenum_cancer GAP_HIGH 0.2684 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in duodenum_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) desogestrel gallbladder_cancer GAP_HIGH 0.2684 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in gallbladder_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) trifluridine duodenum_cancer GAP_HIGH 0.2683 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in duodenum_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) trifluridine gallbladder_cancer GAP_HIGH 0.2683 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in gallbladder_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) atenolol penile_cancer GAP_HIGH 0.2678 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) quinestrol duodenum_cancer GAP_HIGH 0.2678 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in duodenum_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol gallbladder_cancer GAP_HIGH 0.2678 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in gallbladder_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) halazepam coronary_artery_disease GAP_HIGH 0.2676 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in coronary_artery_disease cell model. Expected: similar to midazolam (Jaccard=0.67) trifluridine pharynx_cancer GAP_HIGH 0.2676 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in pharynx_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) desogestrel chronic_obstructive_pulmonary_disease GAP_HIGH 0.2675 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to norethindrone (Jaccard=0.80) prazepam creutzfeldt-jakob_disease GAP_HIGH 0.2675 0.7 estazolam High-priority: Binding assay prazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.70) calcium_acetate attention_deficit_hyperactivity_disorder GAP_HIGH 0.2674 0.4444444444444444 acetylcysteine High-priority: Binding assay calcium_acetate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylcysteine (Jaccard=0.44) milnacipran crohns_disease GAP_HIGH 0.2673 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in crohns_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) prazepam ankylosing_spondylitis GAP_HIGH 0.2671 0.7 estazolam High-priority: Binding assay prazepam→?; validate in ankylosing_spondylitis cell model. Expected: similar to estazolam (Jaccard=0.70) atenolol meningioma GAP_HIGH 0.267 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel muscle_cancer GAP_HIGH 0.267 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in muscle_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) quinestrol ankylosing_spondylitis GAP_HIGH 0.267 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in ankylosing_spondylitis cell model. Expected: similar to mestranol (Jaccard=0.69) trifluridine salivary_gland_cancer GAP_HIGH 0.267 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in salivary_gland_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) desogestrel lung_cancer GAP_HIGH 0.2669 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in lung_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) desogestrel ocular_cancer GAP_HIGH 0.2669 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in ocular_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) desogestrel rectum_cancer GAP_HIGH 0.2669 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in rectum_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) milnacipran prostate_cancer GAP_HIGH 0.2669 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clenbuterol leprosy GAP_HIGH 0.2669 0.6 pomalidomide High-priority: Binding assay clenbuterol→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.60) desogestrel liver_cancer GAP_HIGH 0.2668 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in liver_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) pemetrexed germ_cell_cancer GAP_HIGH 0.2667 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in germ_cell_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) trifluridine ocular_cancer GAP_HIGH 0.2667 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in ocular_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) desogestrel peripheral_nervous_system_neoplasm GAP_HIGH 0.2666 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to norethindrone (Jaccard=0.80) milnacipran gout GAP_HIGH 0.2666 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran primary_biliary_cirrhosis GAP_HIGH 0.2666 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) tioguanine multiple_sclerosis GAP_HIGH 0.2665 0.5 adenine High-priority: Binding assay tioguanine→?; validate in multiple_sclerosis cell model. Expected: similar to adenine (Jaccard=0.50) milnacipran coronary_artery_disease GAP_HIGH 0.2664 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in coronary_artery_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) halazepam sclerosing_cholangitis GAP_HIGH 0.2664 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.67) trifluridine peripheral_nervous_system_neoplasm GAP_HIGH 0.2664 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to gemcitabine (Jaccard=0.57) quinestrol lung_cancer GAP_HIGH 0.2663 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in lung_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol rectum_cancer GAP_HIGH 0.2663 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in rectum_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) prazepam parkinsons_disease GAP_HIGH 0.2662 0.7 estazolam High-priority: Binding assay prazepam→?; validate in parkinsons_disease cell model. Expected: similar to estazolam (Jaccard=0.70) entecavir vitiligo GAP_HIGH 0.2662 0.6 abacavir High-priority: Binding assay entecavir→?; validate in vitiligo cell model. Expected: similar to abacavir (Jaccard=0.60) atenolol mediastinal_cancer GAP_HIGH 0.2661 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel stomach_cancer GAP_HIGH 0.2661 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in stomach_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) prazepam amyotrophic_lateral_sclerosis GAP_HIGH 0.2661 0.7 estazolam High-priority: Binding assay prazepam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to estazolam (Jaccard=0.70) quinestrol liver_cancer GAP_HIGH 0.2661 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in liver_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) atenolol thymus_cancer GAP_HIGH 0.266 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel pancreatic_cancer GAP_HIGH 0.266 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in pancreatic_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) halazepam ankylosing_spondylitis GAP_HIGH 0.266 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in ankylosing_spondylitis cell model. Expected: similar to midazolam (Jaccard=0.67) desogestrel psoriasis GAP_HIGH 0.2659 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in psoriasis cell model. Expected: similar to norethindrone (Jaccard=0.80) trifluridine colon_cancer GAP_HIGH 0.2659 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) calcium_acetate systemic_scleroderma GAP_HIGH 0.2658 0.4444444444444444 acetylcysteine High-priority: Binding assay calcium_acetate→?; validate in systemic_scleroderma cell model. Expected: similar to acetylcysteine (Jaccard=0.44) milnacipran duodenum_cancer GAP_HIGH 0.2656 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran gallbladder_cancer GAP_HIGH 0.2656 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran melanoma GAP_HIGH 0.2656 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) prazepam conduct_disorder GAP_HIGH 0.2656 0.7 estazolam High-priority: Binding assay prazepam→?; validate in conduct_disorder cell model. Expected: similar to estazolam (Jaccard=0.70) quinestrol asthma GAP_HIGH 0.2656 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in asthma cell model. Expected: similar to mestranol (Jaccard=0.69) trifluridine multiple_sclerosis GAP_HIGH 0.2656 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in multiple_sclerosis cell model. Expected: similar to gemcitabine (Jaccard=0.57) trifluridine ovarian_cancer GAP_HIGH 0.2656 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in ovarian_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.57) bimatoprost esophageal_cancer GAP_HIGH 0.2656 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) prazepam allergic_rhinitis GAP_HIGH 0.2655 0.7 estazolam High-priority: Binding assay prazepam→?; validate in allergic_rhinitis cell model. Expected: similar to estazolam (Jaccard=0.70) quinestrol atopic_dermatitis GAP_HIGH 0.2655 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in atopic_dermatitis cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol stomach_cancer GAP_HIGH 0.2655 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in stomach_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) halazepam pancreatitis GAP_HIGH 0.2655 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in pancreatitis cell model. Expected: similar to midazolam (Jaccard=0.67) quinestrol allergic_rhinitis GAP_HIGH 0.2654 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in allergic_rhinitis cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol pancreatic_cancer GAP_HIGH 0.2654 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in pancreatic_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) doxapram sclerosing_cholangitis GAP_HIGH 0.2654 0.6666666666666666 mepenzolate High-priority: Binding assay doxapram→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) quinestrol ulcerative_colitis GAP_HIGH 0.2653 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in ulcerative_colitis cell model. Expected: similar to mestranol (Jaccard=0.69) desogestrel vaginal_cancer GAP_HIGH 0.2652 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in vaginal_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) desogestrel vulva_cancer GAP_HIGH 0.2652 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in vulva_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) milnacipran sclerosing_cholangitis GAP_HIGH 0.2652 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) glipizide kidney_cancer GAP_HIGH 0.2652 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in kidney_cancer cell model. Expected: similar to tolazamide (Jaccard=0.70) prazepam multiple_sclerosis GAP_HIGH 0.2652 0.7 estazolam High-priority: Binding assay prazepam→?; validate in multiple_sclerosis cell model. Expected: similar to estazolam (Jaccard=0.70) quinestrol multiple_sclerosis GAP_HIGH 0.2652 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in multiple_sclerosis cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol uterine_cancer GAP_HIGH 0.2652 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in uterine_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) desogestrel vascular_cancer GAP_HIGH 0.2651 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in vascular_cancer cell model. Expected: similar to norethindrone (Jaccard=0.80) halazepam parkinsons_disease GAP_HIGH 0.2651 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in parkinsons_disease cell model. Expected: similar to midazolam (Jaccard=0.67) atenolol melanoma GAP_HIGH 0.265 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=0.88) doxapram ankylosing_spondylitis GAP_HIGH 0.265 0.6666666666666666 mepenzolate High-priority: Binding assay doxapram→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) halazepam amyotrophic_lateral_sclerosis GAP_HIGH 0.265 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to midazolam (Jaccard=0.67) halazepam nicotine_dependence GAP_HIGH 0.265 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in nicotine_dependence cell model. Expected: similar to midazolam (Jaccard=0.67) desogestrel systemic_scleroderma GAP_HIGH 0.2649 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in systemic_scleroderma cell model. Expected: similar to norethindrone (Jaccard=0.80) quinestrol systemic_lupus_erythematosus GAP_HIGH 0.2649 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to mestranol (Jaccard=0.69) tenofovir pharynx_cancer GAP_HIGH 0.2649 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in pharynx_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) desogestrel uterine_fibroid GAP_HIGH 0.2648 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in uterine_fibroid cell model. Expected: similar to norethindrone (Jaccard=0.80) milnacipran ankylosing_spondylitis GAP_HIGH 0.2648 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) prazepam osteoarthritis GAP_HIGH 0.2647 0.7 estazolam High-priority: Binding assay prazepam→?; validate in osteoarthritis cell model. Expected: similar to estazolam (Jaccard=0.70) quinestrol osteoarthritis GAP_HIGH 0.2647 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in osteoarthritis cell model. Expected: similar to mestranol (Jaccard=0.69) tenofovir thyroid_cancer GAP_HIGH 0.2647 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in thyroid_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) milnacipran chronic_obstructive_pulmonary_disease GAP_HIGH 0.2646 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) quinestrol vulva_cancer GAP_HIGH 0.2646 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in vulva_cancer cell model. Expected: similar to mestranol (Jaccard=0.69) abacavir malignant_mesothelioma GAP_HIGH 0.2646 0.6 entecavir High-priority: Binding assay abacavir→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.60) halazepam asthma GAP_HIGH 0.2645 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in asthma cell model. Expected: similar to midazolam (Jaccard=0.67) halazepam conduct_disorder GAP_HIGH 0.2645 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in conduct_disorder cell model. Expected: similar to midazolam (Jaccard=0.67) atenolol pharynx_cancer GAP_HIGH 0.2644 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) desogestrel vitiligo GAP_HIGH 0.2644 0.8 norethindrone High-priority: Binding assay desogestrel→?; validate in vitiligo cell model. Expected: similar to norethindrone (Jaccard=0.80) pirbuterol pharynx_cancer GAP_HIGH 0.2644 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) halazepam allergic_rhinitis GAP_HIGH 0.2644 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in allergic_rhinitis cell model. Expected: similar to midazolam (Jaccard=0.67) halazepam atopic_dermatitis GAP_HIGH 0.2644 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in atopic_dermatitis cell model. Expected: similar to midazolam (Jaccard=0.67) halazepam hypertension GAP_HIGH 0.2644 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in hypertension cell model. Expected: similar to midazolam (Jaccard=0.67) milnacipran pancreatitis GAP_HIGH 0.2643 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in pancreatitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) pemetrexed primary_biliary_cirrhosis GAP_HIGH 0.2643 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to capecitabine (Jaccard=0.67) tenofovir salivary_gland_cancer GAP_HIGH 0.2643 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in salivary_gland_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) trifluridine polycystic_ovary_syndrome GAP_HIGH 0.2643 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gemcitabine (Jaccard=0.57) trifluridine type_2_diabetes_mellitus GAP_HIGH 0.2643 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.57) trifluridine vitiligo GAP_HIGH 0.2643 0.5714285714285714 gemcitabine High-priority: Binding assay trifluridine→?; validate in vitiligo cell model. Expected: similar to gemcitabine (Jaccard=0.57) pirbuterol thyroid_cancer GAP_HIGH 0.2642 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) halazepam osteoporosis GAP_HIGH 0.2642 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in osteoporosis cell model. Expected: similar to midazolam (Jaccard=0.67) atenolol thyroid_cancer GAP_HIGH 0.2641 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) tretinoin stomach_cancer GAP_HIGH 0.2641 0.7777777777777778 alitretinoin High-priority: Binding assay tretinoin→?; validate in stomach_cancer cell model. Expected: similar to alitretinoin (Jaccard=0.78) buclizine azoospermia GAP_HIGH 0.264 1.0 meclizine High-priority: Binding assay buclizine→?; validate in azoospermia cell model. Expected: similar to meclizine (Jaccard=1.00) milnacipran lung_cancer GAP_HIGH 0.264 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran rectum_cancer GAP_HIGH 0.264 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) tenofovir ocular_cancer GAP_HIGH 0.264 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in ocular_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) milnacipran liver_cancer GAP_HIGH 0.2639 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) quinestrol polycystic_ovary_syndrome GAP_HIGH 0.2639 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to mestranol (Jaccard=0.69) quinestrol type_2_diabetes_mellitus GAP_HIGH 0.2639 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to mestranol (Jaccard=0.69) atenolol pancreatitis GAP_HIGH 0.2638 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=0.88) milnacipran peripheral_nervous_system_neoplasm GAP_HIGH 0.2637 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.71) prazepam rheumatoid_arthritis GAP_HIGH 0.2637 0.7 estazolam High-priority: Binding assay prazepam→?; validate in rheumatoid_arthritis cell model. Expected: similar to estazolam (Jaccard=0.70) tenofovir peripheral_nervous_system_neoplasm GAP_HIGH 0.2637 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cladribine (Jaccard=0.60) tenofovir urinary_bladder_cancer GAP_HIGH 0.2637 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in urinary_bladder_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) atenolol muscle_cancer GAP_HIGH 0.2636 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) quinestrol rheumatoid_arthritis GAP_HIGH 0.2636 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in rheumatoid_arthritis cell model. Expected: similar to mestranol (Jaccard=0.69) halazepam osteoarthritis GAP_HIGH 0.2636 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in osteoarthritis cell model. Expected: similar to midazolam (Jaccard=0.67) atenolol rectum_cancer GAP_HIGH 0.2635 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) baclofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.2635 0.5384615384615384 sotalol High-priority: Binding assay baclofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.54) sulpiride idiopathic_pulmonary_fibrosis GAP_HIGH 0.2634 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.75) quinestrol psoriatic_arthritis GAP_HIGH 0.2634 0.6923076923076923 mestranol High-priority: Binding assay quinestrol→?; validate in psoriatic_arthritis cell model. Expected: similar to mestranol (Jaccard=0.69) doxapram hypertension GAP_HIGH 0.2634 0.6666666666666666 mepenzolate High-priority: Binding assay doxapram→?; validate in hypertension cell model. Expected: similar to mepenzolate (Jaccard=0.67) clofibrate leprosy GAP_HIGH 0.2634 0.5555555555555556 phenmetrazine High-priority: Binding assay clofibrate→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.56) atenolol liver_cancer GAP_HIGH 0.2633 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) pemetrexed duodenum_cancer GAP_HIGH 0.2633 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in duodenum_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) pemetrexed gallbladder_cancer GAP_HIGH 0.2633 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in gallbladder_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) clenbuterol pharynx_cancer GAP_HIGH 0.2632 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) milnacipran colon_cancer GAP_HIGH 0.2632 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in colon_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran hypertension GAP_HIGH 0.2632 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in hypertension cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran stomach_cancer GAP_HIGH 0.2632 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in stomach_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) doxapram ulcerative_colitis GAP_HIGH 0.2632 0.6666666666666666 mepenzolate High-priority: Binding assay doxapram→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) halazepam systemic_scleroderma GAP_HIGH 0.2632 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in systemic_scleroderma cell model. Expected: similar to midazolam (Jaccard=0.67) l-cystine narcolepsy GAP_HIGH 0.2632 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in narcolepsy cell model. Expected: similar to l-methionine (Jaccard=0.47) talbutal barretts_esophagus GAP_HIGH 0.2632 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in barretts_esophagus cell model. Expected: similar to pantoprazole (Jaccard=0.25) atenolol urinary_bladder_cancer GAP_HIGH 0.2631 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) milnacipran pancreatic_cancer GAP_HIGH 0.2631 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in pancreatic_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) abacavir mediastinal_cancer GAP_HIGH 0.2631 0.6 entecavir High-priority: Binding assay abacavir→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.60) milnacipran psoriasis GAP_HIGH 0.263 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in psoriasis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran ulcerative_colitis GAP_HIGH 0.263 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) abacavir thymus_cancer GAP_HIGH 0.263 0.6 entecavir High-priority: Binding assay abacavir→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.60) tenofovir uterine_cancer GAP_HIGH 0.263 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in uterine_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) clenbuterol thyroid_cancer GAP_HIGH 0.2629 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) milnacipran multiple_sclerosis GAP_HIGH 0.2629 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in multiple_sclerosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran osteoporosis GAP_HIGH 0.2629 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in osteoporosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran ovarian_cancer GAP_HIGH 0.2629 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in ovarian_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) milnacipran sarcoma GAP_HIGH 0.2629 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) pemetrexed sclerosing_cholangitis GAP_HIGH 0.2629 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in sclerosing_cholangitis cell model. Expected: similar to capecitabine (Jaccard=0.67) baclofen hematologic_cancer GAP_HIGH 0.2629 0.5384615384615384 sotalol High-priority: Binding assay baclofen→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) pirbuterol asthma GAP_HIGH 0.2628 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in asthma cell model. Expected: similar to dipivefrin (Jaccard=0.75) milnacipran systemic_lupus_erythematosus GAP_HIGH 0.2627 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) atenolol stomach_cancer GAP_HIGH 0.2626 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) halazepam rheumatoid_arthritis GAP_HIGH 0.2626 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in rheumatoid_arthritis cell model. Expected: similar to midazolam (Jaccard=0.67) atenolol pancreatic_cancer GAP_HIGH 0.2625 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) atenolol ulcerative_colitis GAP_HIGH 0.2625 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in ulcerative_colitis cell model. Expected: similar to procarbazine (Jaccard=0.88) isocarboxazid panic_disorder GAP_HIGH 0.2625 0.75 phenformin High-priority: Binding assay isocarboxazid→?; validate in panic_disorder cell model. Expected: similar to phenformin (Jaccard=0.75) pirbuterol uterine_cancer GAP_HIGH 0.2625 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) milnacipran skin_cancer GAP_HIGH 0.2625 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in skin_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) tenofovir skin_cancer GAP_HIGH 0.2625 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in skin_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) telbivudine lymphatic_system_cancer GAP_HIGH 0.2625 0.4 nelarabine High-priority: Binding assay telbivudine→?; validate in lymphatic_system_cancer cell model. Expected: similar to nelarabine (Jaccard=0.40) atenolol ovarian_cancer GAP_HIGH 0.2624 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) atenolol uterine_cancer GAP_HIGH 0.2624 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) clenbuterol muscle_cancer GAP_HIGH 0.2624 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) milnacipran osteoarthritis GAP_HIGH 0.2624 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in osteoarthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) tenofovir testicular_cancer GAP_HIGH 0.2624 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in testicular_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) tenofovir vaginal_cancer GAP_HIGH 0.2624 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in vaginal_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) tenofovir vulva_cancer GAP_HIGH 0.2624 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in vulva_cancer cell model. Expected: similar to cladribine (Jaccard=0.60) dihydrotachysterol vaginal_cancer GAP_HIGH 0.2623 0.7142857142857143 calcipotriol High-priority: Binding assay dihydrotachysterol→?; validate in vaginal_cancer cell model. Expected: similar to calcipotriol (Jaccard=0.71) milnacipran testicular_cancer GAP_HIGH 0.2623 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in testicular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) halazepam psoriatic_arthritis GAP_HIGH 0.2623 0.6666666666666666 midazolam High-priority: Binding assay halazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to midazolam (Jaccard=0.67) milnacipran vascular_cancer GAP_HIGH 0.2622 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clenbuterol urinary_bladder_cancer GAP_HIGH 0.262 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) pemetrexed pancreatitis GAP_HIGH 0.262 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in pancreatitis cell model. Expected: similar to capecitabine (Jaccard=0.67) abacavir melanoma GAP_HIGH 0.262 0.6 entecavir High-priority: Binding assay abacavir→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.60) tenofovir uterine_fibroid GAP_HIGH 0.262 0.6 cladribine High-priority: Binding assay tenofovir→?; validate in uterine_fibroid cell model. Expected: similar to cladribine (Jaccard=0.60) pirbuterol testicular_cancer GAP_HIGH 0.2619 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) pirbuterol vaginal_cancer GAP_HIGH 0.2619 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) pirbuterol vulva_cancer GAP_HIGH 0.2619 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) milnacipran uterine_fibroid GAP_HIGH 0.2619 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.71) atenolol testicular_cancer GAP_HIGH 0.2618 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) atenolol vaginal_cancer GAP_HIGH 0.2618 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) atenolol vulva_cancer GAP_HIGH 0.2618 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) estradiol_valeratedienogest prostate_cancer GAP_HIGH 0.2618 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in prostate_cancer cell model. Expected: similar to levorphanol (Jaccard=0.83) atenolol vascular_cancer GAP_HIGH 0.2617 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.88) pirbuterol vascular_cancer GAP_HIGH 0.2617 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) pemetrexed lung_cancer GAP_HIGH 0.2617 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in lung_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) pemetrexed liver_cancer GAP_HIGH 0.2616 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in liver_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) atenolol uterine_fibroid GAP_HIGH 0.2614 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=0.88) clenbuterol stomach_cancer GAP_HIGH 0.2614 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) pirbuterol uterine_fibroid GAP_HIGH 0.2614 0.75 dipivefrin High-priority: Binding assay pirbuterol→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.75) bimatoprost germ_cell_cancer GAP_HIGH 0.2614 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) estradiol_valeratedienogest coronary_artery_disease GAP_HIGH 0.2613 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in coronary_artery_disease cell model. Expected: similar to levorphanol (Jaccard=0.83) cyproheptadine esophageal_cancer GAP_HIGH 0.2613 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) milnacipran rheumatoid_arthritis GAP_HIGH 0.2613 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clenbuterol uterine_cancer GAP_HIGH 0.2612 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) sulpiride chronic_obstructive_pulmonary_disease GAP_HIGH 0.2611 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.75) milnacipran psoriatic_arthritis GAP_HIGH 0.2611 0.7142857142857143 cyclopentolate High-priority: Binding assay milnacipran→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) abacavir thyroid_cancer GAP_HIGH 0.2611 0.6 entecavir High-priority: Binding assay abacavir→?; validate in thyroid_cancer cell model. Expected: similar to entecavir (Jaccard=0.60) baclofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.2611 0.5384615384615384 sotalol High-priority: Binding assay baclofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.54) buclizine narcolepsy GAP_HIGH 0.261 1.0 meclizine High-priority: Binding assay buclizine→?; validate in narcolepsy cell model. Expected: similar to meclizine (Jaccard=1.00) atenolol vitiligo GAP_HIGH 0.261 0.875 procarbazine High-priority: Binding assay atenolol→?; validate in vitiligo cell model. Expected: similar to procarbazine (Jaccard=0.88) adinazolam gilles_de_la_tourette_syndrome GAP_HIGH 0.2609 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to midazolam (Jaccard=0.71) glipizide gout GAP_HIGH 0.2609 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in gout cell model. Expected: similar to tolazamide (Jaccard=0.70) pemetrexed pancreatic_cancer GAP_HIGH 0.2608 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in pancreatic_cancer cell model. Expected: similar to capecitabine (Jaccard=0.67) abacavir pancreatitis GAP_HIGH 0.2608 0.6 entecavir High-priority: Binding assay abacavir→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.60) clenbuterol testicular_cancer GAP_HIGH 0.2606 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) clenbuterol vaginal_cancer GAP_HIGH 0.2606 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in vaginal_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) clenbuterol vulva_cancer GAP_HIGH 0.2606 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in vulva_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) bimatoprost malignant_mesothelioma GAP_HIGH 0.2606 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.50) l-cystine autistic_disorder GAP_HIGH 0.2606 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in autistic_disorder cell model. Expected: similar to l-methionine (Jaccard=0.47) l-cystine nicotine_dependence GAP_HIGH 0.2606 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in nicotine_dependence cell model. Expected: similar to l-methionine (Jaccard=0.47) clenbuterol vascular_cancer GAP_HIGH 0.2605 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in vascular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) pemetrexed systemic_lupus_erythematosus GAP_HIGH 0.2604 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to capecitabine (Jaccard=0.67) clenbuterol uterine_fibroid GAP_HIGH 0.2602 0.75 thalidomide High-priority: Binding assay clenbuterol→?; validate in uterine_fibroid cell model. Expected: similar to thalidomide (Jaccard=0.75) buclizine duodenum_cancer GAP_HIGH 0.2601 1.0 meclizine High-priority: Binding assay buclizine→?; validate in duodenum_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) buclizine gallbladder_cancer GAP_HIGH 0.2601 1.0 meclizine High-priority: Binding assay buclizine→?; validate in gallbladder_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) spirapril coronary_artery_disease GAP_HIGH 0.2601 0.6 moexipril High-priority: Binding assay spirapril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.60) l-cystine conduct_disorder GAP_HIGH 0.2601 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in conduct_disorder cell model. Expected: similar to l-methionine (Jaccard=0.47) esmolol esophageal_cancer GAP_HIGH 0.26 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) l-cystine hypertension GAP_HIGH 0.26 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in hypertension cell model. Expected: similar to l-methionine (Jaccard=0.47) l-cystine bipolar_disorder GAP_HIGH 0.2599 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in bipolar_disorder cell model. Expected: similar to l-methionine (Jaccard=0.47) l-cystine endogenous_depression GAP_HIGH 0.2599 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in endogenous_depression cell model. Expected: similar to l-methionine (Jaccard=0.47) baclofen atopic_dermatitis GAP_HIGH 0.2598 0.5384615384615384 sotalol High-priority: Binding assay baclofen→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.54) baclofen breast_cancer GAP_HIGH 0.2598 0.5384615384615384 sotalol High-priority: Binding assay baclofen→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) sulpiride atopic_dermatitis GAP_HIGH 0.2597 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.75) pemetrexed systemic_scleroderma GAP_HIGH 0.2597 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in systemic_scleroderma cell model. Expected: similar to capecitabine (Jaccard=0.67) bimatoprost crohns_disease GAP_HIGH 0.2597 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.50) dipivefrin hypertension GAP_HIGH 0.2595 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in hypertension cell model. Expected: similar to pirbuterol (Jaccard=0.75) sulpiride psoriasis GAP_HIGH 0.2595 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.75) abacavir ulcerative_colitis GAP_HIGH 0.2595 0.6 entecavir High-priority: Binding assay abacavir→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.60) alitretinoin hematologic_cancer GAP_HIGH 0.2594 0.7777777777777778 tretinoin High-priority: Binding assay alitretinoin→?; validate in hematologic_cancer cell model. Expected: similar to tretinoin (Jaccard=0.78) nabumetone osteoarthritis GAP_HIGH 0.2593 0.8888888888888888 midodrine High-priority: Binding assay nabumetone→?; validate in osteoarthritis cell model. Expected: similar to midodrine (Jaccard=0.89) pemetrexed type_2_diabetes_mellitus GAP_HIGH 0.2593 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to capecitabine (Jaccard=0.67) estradiol_valeratedienogest pancreatitis GAP_HIGH 0.2592 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in pancreatitis cell model. Expected: similar to levorphanol (Jaccard=0.83) sulpiride systemic_lupus_erythematosus GAP_HIGH 0.2592 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zafirlukast (Jaccard=0.75) bimatoprost mediastinal_cancer GAP_HIGH 0.2591 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) dipivefrin systemic_lupus_erythematosus GAP_HIGH 0.259 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pirbuterol (Jaccard=0.75) sulpiride skin_cancer GAP_HIGH 0.259 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.75) pemetrexed rheumatoid_arthritis GAP_HIGH 0.259 0.6666666666666666 capecitabine High-priority: Binding assay pemetrexed→?; validate in rheumatoid_arthritis cell model. Expected: similar to capecitabine (Jaccard=0.67) bimatoprost primary_biliary_cirrhosis GAP_HIGH 0.259 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost thymus_cancer GAP_HIGH 0.259 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) dipivefrin metabolic_syndrome_x GAP_HIGH 0.2589 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in metabolic_syndrome_x cell model. Expected: similar to pirbuterol (Jaccard=0.75) adinazolam chronic_kidney_failure GAP_HIGH 0.2589 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in chronic_kidney_failure cell model. Expected: similar to midazolam (Jaccard=0.71) estradiol_valeratedienogest alzheimers_disease GAP_HIGH 0.2588 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.83) spirapril creutzfeldt-jakob_disease GAP_HIGH 0.2588 0.6 moexipril High-priority: Binding assay spirapril→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.60) estradiol_valeratedienogest nicotine_dependence GAP_HIGH 0.2587 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.83) calcitriol osteoporosis GAP_HIGH 0.2587 0.7142857142857143 paricalcitol High-priority: Binding assay calcitriol→?; validate in osteoporosis cell model. Expected: similar to paricalcitol (Jaccard=0.71) calcitriol psoriasis GAP_HIGH 0.2587 0.7142857142857143 paricalcitol High-priority: Binding assay calcitriol→?; validate in psoriasis cell model. Expected: similar to paricalcitol (Jaccard=0.71) buclizine lung_cancer GAP_HIGH 0.2586 1.0 meclizine High-priority: Binding assay buclizine→?; validate in lung_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) buclizine rectum_cancer GAP_HIGH 0.2586 1.0 meclizine High-priority: Binding assay buclizine→?; validate in rectum_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) dipivefrin obesity GAP_HIGH 0.2585 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in obesity cell model. Expected: similar to pirbuterol (Jaccard=0.75) sulpiride systemic_scleroderma GAP_HIGH 0.2585 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in systemic_scleroderma cell model. Expected: similar to zafirlukast (Jaccard=0.75) l-cystine restless_legs_syndrome GAP_HIGH 0.2585 0.475 l-methionine High-priority: Binding assay l-cystine→?; validate in restless_legs_syndrome cell model. Expected: similar to l-methionine (Jaccard=0.47) buclizine liver_cancer GAP_HIGH 0.2584 1.0 meclizine High-priority: Binding assay buclizine→?; validate in liver_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) adenosine kidney_cancer GAP_HIGH 0.2584 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) dipivefrin systemic_scleroderma GAP_HIGH 0.2583 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in systemic_scleroderma cell model. Expected: similar to pirbuterol (Jaccard=0.75) adenosine nephrolithiasis GAP_HIGH 0.2583 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.62) nabumetone rheumatoid_arthritis GAP_HIGH 0.2582 0.8888888888888888 midodrine High-priority: Binding assay nabumetone→?; validate in rheumatoid_arthritis cell model. Expected: similar to midodrine (Jaccard=0.89) estradiol_valeratedienogest panic_disorder GAP_HIGH 0.2582 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.83) loratadine refractive_error GAP_HIGH 0.2582 0.6 bimatoprost High-priority: Binding assay loratadine→?; validate in refractive_error cell model. Expected: similar to bimatoprost (Jaccard=0.60) tropicamide hematologic_cancer GAP_HIGH 0.2582 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in hematologic_cancer cell model. Expected: similar to diethylpropion (Jaccard=0.55) estradiol_valeratedienogest breast_cancer GAP_HIGH 0.2581 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in breast_cancer cell model. Expected: similar to levorphanol (Jaccard=0.83) estradiol_valeratedienogest conduct_disorder GAP_HIGH 0.2581 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.83) estradiol_valeratedienogest bipolar_disorder GAP_HIGH 0.258 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.83) sulpiride vitiligo GAP_HIGH 0.258 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.75) bimatoprost duodenum_cancer GAP_HIGH 0.258 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost gallbladder_cancer GAP_HIGH 0.258 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost melanoma GAP_HIGH 0.258 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.50) estradiol_valeratedienogest endogenous_depression GAP_HIGH 0.2579 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.83) dipivefrin polycystic_ovary_syndrome GAP_HIGH 0.2579 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirbuterol (Jaccard=0.75) dipivefrin type_2_diabetes_mellitus GAP_HIGH 0.2579 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to pirbuterol (Jaccard=0.75) buclizine hypertension GAP_HIGH 0.2578 1.0 meclizine High-priority: Binding assay buclizine→?; validate in hypertension cell model. Expected: similar to meclizine (Jaccard=1.00) sulpiride rheumatoid_arthritis GAP_HIGH 0.2578 0.75 zafirlukast High-priority: Binding assay sulpiride→?; validate in rheumatoid_arthritis cell model. Expected: similar to zafirlukast (Jaccard=0.75) carboprost_tromethamine pharynx_cancer GAP_HIGH 0.2578 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in pharynx_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) buclizine pancreatic_cancer GAP_HIGH 0.2577 1.0 meclizine High-priority: Binding assay buclizine→?; validate in pancreatic_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) buclizine stomach_cancer GAP_HIGH 0.2577 1.0 meclizine High-priority: Binding assay buclizine→?; validate in stomach_cancer cell model. Expected: similar to meclizine (Jaccard=1.00) beclomethasone type_1_diabetes_mellitus GAP_HIGH 0.2577 0.9166666666666666 rimexolone High-priority: Binding assay beclomethasone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.92) dipivefrin rheumatoid_arthritis GAP_HIGH 0.2577 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in rheumatoid_arthritis cell model. Expected: similar to pirbuterol (Jaccard=0.75) buclizine ulcerative_colitis GAP_HIGH 0.2576 1.0 meclizine High-priority: Binding assay buclizine→?; validate in ulcerative_colitis cell model. Expected: similar to meclizine (Jaccard=1.00) bimatoprost sclerosing_cholangitis GAP_HIGH 0.2576 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.50) carboprost_tromethamine thyroid_cancer GAP_HIGH 0.2576 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in thyroid_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) buclizine multiple_sclerosis GAP_HIGH 0.2575 1.0 meclizine High-priority: Binding assay buclizine→?; validate in multiple_sclerosis cell model. Expected: similar to meclizine (Jaccard=1.00) esmolol celiac_disease GAP_HIGH 0.2575 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.64) spirapril alzheimers_disease GAP_HIGH 0.2575 0.6 moexipril High-priority: Binding assay spirapril→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.60) spirapril parkinsons_disease GAP_HIGH 0.2575 0.6 moexipril High-priority: Binding assay spirapril→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.60) estradiol_valeratedienogest metabolic_syndrome_x GAP_HIGH 0.2574 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in metabolic_syndrome_x cell model. Expected: similar to levorphanol (Jaccard=0.83) dipivefrin psoriatic_arthritis GAP_HIGH 0.2574 0.75 pirbuterol High-priority: Binding assay dipivefrin→?; validate in psoriatic_arthritis cell model. Expected: similar to pirbuterol (Jaccard=0.75) spirapril amyotrophic_lateral_sclerosis GAP_HIGH 0.2574 0.6 moexipril High-priority: Binding assay spirapril→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.60) glipizide pancreatic_cancer GAP_HIGH 0.2573 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in pancreatic_cancer cell model. Expected: similar to tolazamide (Jaccard=0.70) glipizide multiple_sclerosis GAP_HIGH 0.2572 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in multiple_sclerosis cell model. Expected: similar to tolazamide (Jaccard=0.70) estradiol_valeratedienogest obesity GAP_HIGH 0.257 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in obesity cell model. Expected: similar to levorphanol (Jaccard=0.83) cyproheptadine germ_cell_cancer GAP_HIGH 0.257 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) tropicamide creutzfeldt-jakob_disease GAP_HIGH 0.257 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to diethylpropion (Jaccard=0.55) glipizide osteoarthritis GAP_HIGH 0.2567 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in osteoarthritis cell model. Expected: similar to tolazamide (Jaccard=0.70) bimatoprost pancreatitis GAP_HIGH 0.2567 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.50) sulfadiazine leprosy GAP_HIGH 0.2566 0.65 sulfapyridine High-priority: Binding assay sulfadiazine→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.65) spirapril multiple_sclerosis GAP_HIGH 0.2566 0.6 moexipril High-priority: Binding assay spirapril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.60) bimatoprost muscle_cancer GAP_HIGH 0.2566 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) estradiol_valeratedienogest type_2_diabetes_mellitus GAP_HIGH 0.2565 0.8333333333333334 levorphanol High-priority: Binding assay estradiol_valeratedienogest→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to levorphanol (Jaccard=0.83) tropicamide epilepsy_syndrome GAP_HIGH 0.2564 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in epilepsy_syndrome cell model. Expected: similar to diethylpropion (Jaccard=0.55) bimatoprost lung_cancer GAP_HIGH 0.2564 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost rectum_cancer GAP_HIGH 0.2564 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost liver_cancer GAP_HIGH 0.2563 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) buclizine polycystic_ovary_syndrome GAP_HIGH 0.2562 1.0 meclizine High-priority: Binding assay buclizine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to meclizine (Jaccard=1.00) buclizine type_2_diabetes_mellitus GAP_HIGH 0.2562 1.0 meclizine High-priority: Binding assay buclizine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to meclizine (Jaccard=1.00) cyproheptadine malignant_mesothelioma GAP_HIGH 0.2562 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.75) aminoglutethimide coronary_artery_disease GAP_HIGH 0.2561 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.60) bimatoprost urinary_bladder_cancer GAP_HIGH 0.2561 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) benazepril hypertension GAP_HIGH 0.2559 0.6666666666666666 rescinnamine High-priority: Binding assay benazepril→?; validate in hypertension cell model. Expected: similar to rescinnamine (Jaccard=0.67) gliquidone idiopathic_pulmonary_fibrosis GAP_HIGH 0.2559 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.54) carboprost_tromethamine uterine_cancer GAP_HIGH 0.2559 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in uterine_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) adenosine penile_cancer GAP_HIGH 0.2557 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) tropicamide alzheimers_disease GAP_HIGH 0.2557 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in alzheimers_disease cell model. Expected: similar to diethylpropion (Jaccard=0.55) tropicamide parkinsons_disease GAP_HIGH 0.2557 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in parkinsons_disease cell model. Expected: similar to diethylpropion (Jaccard=0.55) glipizide rheumatoid_arthritis GAP_HIGH 0.2556 0.7 tolazamide High-priority: Binding assay glipizide→?; validate in rheumatoid_arthritis cell model. Expected: similar to tolazamide (Jaccard=0.70) tropicamide amyotrophic_lateral_sclerosis GAP_HIGH 0.2556 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diethylpropion (Jaccard=0.55) bimatoprost stomach_cancer GAP_HIGH 0.2556 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) adenosine malignant_mesothelioma GAP_HIGH 0.2555 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.62) bimatoprost pancreatic_cancer GAP_HIGH 0.2555 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost ulcerative_colitis GAP_HIGH 0.2554 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.50) cyproheptadine crohns_disease GAP_HIGH 0.2553 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.75) spirapril restless_legs_syndrome GAP_HIGH 0.2553 0.6 moexipril High-priority: Binding assay spirapril→?; validate in restless_legs_syndrome cell model. Expected: similar to moexipril (Jaccard=0.60) carboprost_tromethamine testicular_cancer GAP_HIGH 0.2553 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in testicular_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) carboprost_tromethamine vaginal_cancer GAP_HIGH 0.2553 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in vaginal_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) carboprost_tromethamine vulva_cancer GAP_HIGH 0.2553 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in vulva_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) tropicamide asthma GAP_HIGH 0.2551 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in asthma cell model. Expected: similar to diethylpropion (Jaccard=0.55) carboprost_tromethamine vascular_cancer GAP_HIGH 0.2551 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in vascular_cancer cell model. Expected: similar to travoprost (Jaccard=0.50) cyproterone_acetate intracranial_aneurysm GAP_HIGH 0.255 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in intracranial_aneurysm cell model. Expected: similar to prednicarbate (Jaccard=0.71) esmolol malignant_mesothelioma GAP_HIGH 0.255 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.64) adenosine meningioma GAP_HIGH 0.2549 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.62) tropicamide multiple_sclerosis GAP_HIGH 0.2548 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in multiple_sclerosis cell model. Expected: similar to diethylpropion (Jaccard=0.55) carboprost_tromethamine uterine_fibroid GAP_HIGH 0.2548 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in uterine_fibroid cell model. Expected: similar to travoprost (Jaccard=0.50) cyproheptadine mediastinal_cancer GAP_HIGH 0.2547 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine primary_biliary_cirrhosis GAP_HIGH 0.2547 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.75) adinazolam coronary_artery_disease GAP_HIGH 0.2547 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in coronary_artery_disease cell model. Expected: similar to midazolam (Jaccard=0.71) cyproheptadine thymus_cancer GAP_HIGH 0.2546 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) alcaftadine refractive_error GAP_HIGH 0.2546 0.6 bimatoprost High-priority: Binding assay alcaftadine→?; validate in refractive_error cell model. Expected: similar to bimatoprost (Jaccard=0.60) bimatoprost obesity GAP_HIGH 0.2546 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.50) nelarabine malignant_mesothelioma GAP_HIGH 0.2546 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.44) carboprost_tromethamine vitiligo GAP_HIGH 0.2545 0.5 travoprost High-priority: Binding assay carboprost_tromethamine→?; validate in vitiligo cell model. Expected: similar to travoprost (Jaccard=0.50) salbutamol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2543 0.8 pirbuterol High-priority: Binding assay salbutamol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to pirbuterol (Jaccard=0.80) prazepam chronic_kidney_failure GAP_HIGH 0.2542 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to cinolazepam (Jaccard=0.62) adenosine prostate_cancer GAP_HIGH 0.2542 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) clocortolone dilated_cardiomyopathy GAP_HIGH 0.2541 0.8333333333333334 rimexolone High-priority: Binding assay clocortolone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.83) difluprednate dilated_cardiomyopathy GAP_HIGH 0.2541 0.8333333333333334 rimexolone High-priority: Binding assay difluprednate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.83) phenindione duodenum_cancer GAP_HIGH 0.2541 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) phenindione gallbladder_cancer GAP_HIGH 0.2541 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) cyproterone_acetate head_and_neck_cancer GAP_HIGH 0.2541 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) cyproterone_acetate malignant_glioma GAP_HIGH 0.2541 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in malignant_glioma cell model. Expected: similar to prednicarbate (Jaccard=0.71) esmolol crohns_disease GAP_HIGH 0.2541 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.64) adenosine mediastinal_cancer GAP_HIGH 0.254 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) bimatoprost polycystic_ovary_syndrome GAP_HIGH 0.254 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.50) bimatoprost type_2_diabetes_mellitus GAP_HIGH 0.254 0.5 raloxifene High-priority: Binding assay bimatoprost→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.50) adenosine thymus_cancer GAP_HIGH 0.2539 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) tropicamide systemic_scleroderma GAP_HIGH 0.2538 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in systemic_scleroderma cell model. Expected: similar to diethylpropion (Jaccard=0.55) phenindione creutzfeldt-jakob_disease GAP_HIGH 0.2537 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clozapine (Jaccard=0.77) cyproheptadine duodenum_cancer GAP_HIGH 0.2536 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine gallbladder_cancer GAP_HIGH 0.2536 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine melanoma GAP_HIGH 0.2536 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.75) clofibrate malaria GAP_HIGH 0.2536 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in malaria cell model. Expected: similar to sulfanilamide (Jaccard=0.60) gliquidone chronic_obstructive_pulmonary_disease GAP_HIGH 0.2536 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.54) adinazolam sclerosing_cholangitis GAP_HIGH 0.2535 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.71) esmolol primary_biliary_cirrhosis GAP_HIGH 0.2535 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.64) mepenzolate coronary_artery_disease GAP_HIGH 0.2534 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.67) esmolol gout GAP_HIGH 0.2534 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.64) tropicamide polycystic_ovary_syndrome GAP_HIGH 0.2534 0.5454545454545454 diethylpropion High-priority: Binding assay tropicamide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to diethylpropion (Jaccard=0.55) cyproheptadine sclerosing_cholangitis GAP_HIGH 0.2533 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.75) l-arginine larynx_cancer GAP_HIGH 0.2533 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) aminoglutethimide leprosy GAP_HIGH 0.2533 0.45454545454545453 phenmetrazine High-priority: Binding assay aminoglutethimide→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.45) esmolol coronary_artery_disease GAP_HIGH 0.2532 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol narcolepsy GAP_HIGH 0.2532 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.64) nelarabine mediastinal_cancer GAP_HIGH 0.2531 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.44) adenosine melanoma GAP_HIGH 0.253 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.62) nelarabine thymus_cancer GAP_HIGH 0.253 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.44) salbutamol allergic_rhinitis GAP_HIGH 0.2529 0.8 pirbuterol High-priority: Binding assay salbutamol→?; validate in allergic_rhinitis cell model. Expected: similar to pirbuterol (Jaccard=0.80) adenosine duodenum_cancer GAP_HIGH 0.2529 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) adenosine gallbladder_cancer GAP_HIGH 0.2529 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) cyproheptadine thyroid_cancer GAP_HIGH 0.2527 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) aminophenazone gilles_de_la_tourette_syndrome GAP_HIGH 0.2527 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.50) phenindione lung_cancer GAP_HIGH 0.2526 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) phenindione rectum_cancer GAP_HIGH 0.2526 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) adinazolam pancreatitis GAP_HIGH 0.2526 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in pancreatitis cell model. Expected: similar to midazolam (Jaccard=0.71) adenosine sclerosing_cholangitis GAP_HIGH 0.2526 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in sclerosing_cholangitis cell model. Expected: similar to lamivudine (Jaccard=0.62) pyrimethamine type_1_diabetes_mellitus GAP_HIGH 0.2526 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.50) phenindione liver_cancer GAP_HIGH 0.2524 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) phenindione parkinsons_disease GAP_HIGH 0.2524 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in parkinsons_disease cell model. Expected: similar to clozapine (Jaccard=0.77) cyproheptadine pancreatitis GAP_HIGH 0.2524 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.75) esmolol duodenum_cancer GAP_HIGH 0.2524 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol gallbladder_cancer GAP_HIGH 0.2524 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) phenindione amyotrophic_lateral_sclerosis GAP_HIGH 0.2523 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clozapine (Jaccard=0.77) aminoglutethimide metabolic_syndrome_x GAP_HIGH 0.2523 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clofibrate (Jaccard=0.60) ribavirin acquired_immunodeficiency_syndrome GAP_HIGH 0.2523 0.5909090909090909 vidarabine High-priority: Binding assay ribavirin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to vidarabine (Jaccard=0.59) cyproheptadine muscle_cancer GAP_HIGH 0.2522 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) loratadine pharynx_cancer GAP_HIGH 0.2522 0.6 bimatoprost High-priority: Binding assay loratadine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) gliquidone atopic_dermatitis GAP_HIGH 0.2522 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.54) cyproheptadine lung_cancer GAP_HIGH 0.2521 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine rectum_cancer GAP_HIGH 0.2521 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) adinazolam nicotine_dependence GAP_HIGH 0.2521 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in nicotine_dependence cell model. Expected: similar to midazolam (Jaccard=0.71) adinazolam parkinsons_disease GAP_HIGH 0.2521 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in parkinsons_disease cell model. Expected: similar to midazolam (Jaccard=0.71) adinazolam amyotrophic_lateral_sclerosis GAP_HIGH 0.252 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to midazolam (Jaccard=0.71) cyproterone_acetate germ_cell_cancer GAP_HIGH 0.252 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in germ_cell_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) esmolol creutzfeldt-jakob_disease GAP_HIGH 0.252 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol sclerosing_cholangitis GAP_HIGH 0.252 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.64) adenosine thyroid_cancer GAP_HIGH 0.252 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in thyroid_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) gliquidone psoriasis GAP_HIGH 0.252 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.54) nelarabine melanoma GAP_HIGH 0.252 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.44) cyproheptadine liver_cancer GAP_HIGH 0.2519 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) aminoglutethimide obesity GAP_HIGH 0.2519 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in obesity cell model. Expected: similar to clofibrate (Jaccard=0.60) dopamine pharynx_cancer GAP_HIGH 0.2518 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) vitamin_c dilated_cardiomyopathy GAP_HIGH 0.2518 0.3333333333333333 ciprofloxacin High-priority: Binding assay vitamin_c→?; validate in dilated_cardiomyopathy cell model. Expected: similar to ciprofloxacin (Jaccard=0.33) phenindione stomach_cancer GAP_HIGH 0.2517 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) cyproheptadine peripheral_nervous_system_neoplasm GAP_HIGH 0.2517 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine urinary_bladder_cancer GAP_HIGH 0.2517 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) adenosine pancreatitis GAP_HIGH 0.2517 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.62) gliquidone systemic_lupus_erythematosus GAP_HIGH 0.2517 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenindione pancreatic_cancer GAP_HIGH 0.2516 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) esmolol ankylosing_spondylitis GAP_HIGH 0.2516 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.64) loratadine salivary_gland_cancer GAP_HIGH 0.2516 0.6 bimatoprost High-priority: Binding assay loratadine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) nelarabine sclerosing_cholangitis GAP_HIGH 0.2516 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in sclerosing_cholangitis cell model. Expected: similar to entecavir (Jaccard=0.44) methohexital leprosy GAP_HIGH 0.2516 0.38095238095238093 phensuximide High-priority: Binding assay methohexital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.38) phenindione uterine_cancer GAP_HIGH 0.2515 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) dopamine thyroid_cancer GAP_HIGH 0.2515 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) adinazolam asthma GAP_HIGH 0.2515 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in asthma cell model. Expected: similar to midazolam (Jaccard=0.71) adinazolam atopic_dermatitis GAP_HIGH 0.2515 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in atopic_dermatitis cell model. Expected: similar to midazolam (Jaccard=0.71) adinazolam hypertension GAP_HIGH 0.2515 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in hypertension cell model. Expected: similar to midazolam (Jaccard=0.71) mepenzolate chronic_obstructive_pulmonary_disease GAP_HIGH 0.2515 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.67) gliquidone skin_cancer GAP_HIGH 0.2515 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.54) adenosine lung_cancer GAP_HIGH 0.2514 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in lung_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) adenosine rectum_cancer GAP_HIGH 0.2514 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in rectum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) triamterene type_1_diabetes_mellitus GAP_HIGH 0.2514 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.50) lubiprostone pharynx_cancer GAP_HIGH 0.2514 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in pharynx_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) vitamin_c pagets_disease_of_bone GAP_HIGH 0.2514 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) esmolol epilepsy_syndrome GAP_HIGH 0.2513 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) aminoglutethimide polycystic_ovary_syndrome GAP_HIGH 0.2513 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clofibrate (Jaccard=0.60) aminoglutethimide type_2_diabetes_mellitus GAP_HIGH 0.2513 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clofibrate (Jaccard=0.60) loratadine ocular_cancer GAP_HIGH 0.2513 0.6 bimatoprost High-priority: Binding assay loratadine→?; validate in ocular_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) cyproheptadine stomach_cancer GAP_HIGH 0.2512 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) adinazolam osteoporosis GAP_HIGH 0.2512 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in osteoporosis cell model. Expected: similar to midazolam (Jaccard=0.71) l-arginine esophageal_cancer GAP_HIGH 0.2512 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) methohexital duodenum_cancer GAP_HIGH 0.2512 0.5 clobazam High-priority: Binding assay methohexital→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital gallbladder_cancer GAP_HIGH 0.2512 0.5 clobazam High-priority: Binding assay methohexital→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) cyproheptadine pancreatic_cancer GAP_HIGH 0.2511 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine ulcerative_colitis GAP_HIGH 0.2511 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.75) azacitidine thyroid_cancer GAP_HIGH 0.2511 0.6666666666666666 clofarabine High-priority: Binding assay azacitidine→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.67) lubiprostone thyroid_cancer GAP_HIGH 0.2511 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in thyroid_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) cyproheptadine uterine_cancer GAP_HIGH 0.251 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in uterine_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) regadenoson osteoporosis GAP_HIGH 0.251 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.64) gliquidone systemic_scleroderma GAP_HIGH 0.251 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in systemic_scleroderma cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenindione testicular_cancer GAP_HIGH 0.2509 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) phenindione vaginal_cancer GAP_HIGH 0.2509 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) phenindione vulva_cancer GAP_HIGH 0.2509 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.77) cyproheptadine sarcoma GAP_HIGH 0.2509 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.75) esmolol lung_cancer GAP_HIGH 0.2509 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) aminoglutethimide psoriatic_arthritis GAP_HIGH 0.2508 0.6 clofibrate High-priority: Binding assay aminoglutethimide→?; validate in psoriatic_arthritis cell model. Expected: similar to clofibrate (Jaccard=0.60) methohexital creutzfeldt-jakob_disease GAP_HIGH 0.2508 0.5 clobazam High-priority: Binding assay methohexital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clobazam (Jaccard=0.50) esmolol alzheimers_disease GAP_HIGH 0.2507 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol parkinsons_disease GAP_HIGH 0.2507 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in parkinsons_disease cell model. Expected: similar to suprofen (Jaccard=0.64) regadenoson systemic_lupus_erythematosus GAP_HIGH 0.2507 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vidarabine (Jaccard=0.64) pemetrexed brain_cancer GAP_HIGH 0.2507 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.60) pemetrexed intracranial_aneurysm GAP_HIGH 0.2507 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.60) pyrimethamine celiac_disease GAP_HIGH 0.2507 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in celiac_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) nelarabine pancreatitis GAP_HIGH 0.2507 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.44) cyproterone_acetate meningioma GAP_HIGH 0.2506 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in meningioma cell model. Expected: similar to prednicarbate (Jaccard=0.71) clotiazepam creutzfeldt-jakob_disease GAP_HIGH 0.2506 0.6666666666666666 estazolam High-priority: Binding assay clotiazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.67) esmolol amyotrophic_lateral_sclerosis GAP_HIGH 0.2506 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol autistic_disorder GAP_HIGH 0.2506 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol nicotine_dependence GAP_HIGH 0.2506 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.64) adenosine breast_cancer GAP_HIGH 0.2506 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) adenosine colon_cancer GAP_HIGH 0.2506 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) regadenoson osteoarthritis GAP_HIGH 0.2505 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.64) adenosine pancreatic_cancer GAP_HIGH 0.2505 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in pancreatic_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) adenosine stomach_cancer GAP_HIGH 0.2505 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in stomach_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) gliquidone vitiligo GAP_HIGH 0.2505 0.5384615384615384 zafirlukast High-priority: Binding assay gliquidone→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenindione uterine_fibroid GAP_HIGH 0.2504 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.77) cyproheptadine testicular_cancer GAP_HIGH 0.2504 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in testicular_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine vaginal_cancer GAP_HIGH 0.2504 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in vaginal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.75) esmolol attention_deficit_hyperactivity_disorder GAP_HIGH 0.2504 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) adenosine ulcerative_colitis GAP_HIGH 0.2504 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.62) nelarabine lung_cancer GAP_HIGH 0.2504 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in lung_cancer cell model. Expected: similar to entecavir (Jaccard=0.44) nelarabine rectum_cancer GAP_HIGH 0.2504 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in rectum_cancer cell model. Expected: similar to entecavir (Jaccard=0.44) adinazolam systemic_scleroderma GAP_HIGH 0.2503 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in systemic_scleroderma cell model. Expected: similar to midazolam (Jaccard=0.71) adenosine multiple_sclerosis GAP_HIGH 0.2503 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in multiple_sclerosis cell model. Expected: similar to lamivudine (Jaccard=0.62) adenosine ovarian_cancer GAP_HIGH 0.2503 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) cyproheptadine obesity GAP_HIGH 0.2502 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.75) phenindione polycystic_ovary_syndrome GAP_HIGH 0.2501 0.7692307692307693 clozapine High-priority: Binding assay phenindione→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.77) mepenzolate stomach_cancer GAP_HIGH 0.2501 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) esmolol asthma GAP_HIGH 0.2501 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol conduct_disorder GAP_HIGH 0.2501 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol panic_disorder GAP_HIGH 0.2501 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol schizophrenia GAP_HIGH 0.2501 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.64) regadenoson systemic_scleroderma GAP_HIGH 0.2501 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in systemic_scleroderma cell model. Expected: similar to vidarabine (Jaccard=0.64) mepenzolate pancreatic_cancer GAP_HIGH 0.25 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) esmolol allergic_rhinitis GAP_HIGH 0.25 0.6363636363636364 melphalan High-priority: Binding assay esmolol→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.64) esmolol colon_cancer GAP_HIGH 0.25 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.64) prazepam coronary_artery_disease GAP_HIGH 0.25 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in coronary_artery_disease cell model. Expected: similar to cinolazepam (Jaccard=0.62) adenosine systemic_lupus_erythematosus GAP_HIGH 0.25 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to lamivudine (Jaccard=0.62) cyproterone_acetate idiopathic_pulmonary_fibrosis GAP_HIGH 0.2499 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to prednicarbate (Jaccard=0.71) esmolol bipolar_disorder GAP_HIGH 0.2499 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) l-arginine brain_cancer GAP_HIGH 0.2499 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine intracranial_aneurysm GAP_HIGH 0.2499 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.64) dopamine uterine_cancer GAP_HIGH 0.2498 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) esmolol endogenous_depression GAP_HIGH 0.2498 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol psoriasis GAP_HIGH 0.2498 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.64) adenosine skin_cancer GAP_HIGH 0.2498 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in skin_cancer cell model. Expected: similar to lamivudine (Jaccard=0.62) pemetrexed kidney_cancer GAP_HIGH 0.2498 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.60) cyproterone_acetate mediastinal_cancer GAP_HIGH 0.2497 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) azacitidine stomach_cancer GAP_HIGH 0.2497 0.6666666666666666 clofarabine High-priority: Binding assay azacitidine→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.67) esmolol migraine GAP_HIGH 0.2497 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in migraine cell model. Expected: similar to suprofen (Jaccard=0.64) esmolol multiple_sclerosis GAP_HIGH 0.2497 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) methohexital lung_cancer GAP_HIGH 0.2497 0.5 clobazam High-priority: Binding assay methohexital→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital rectum_cancer GAP_HIGH 0.2497 0.5 clobazam High-priority: Binding assay methohexital→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) cyproheptadine polycystic_ovary_syndrome GAP_HIGH 0.2496 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproheptadine type_2_diabetes_mellitus GAP_HIGH 0.2496 0.75 raloxifene High-priority: Binding assay cyproheptadine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.75) cyproterone_acetate gout GAP_HIGH 0.2496 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in gout cell model. Expected: similar to prednicarbate (Jaccard=0.71) cyproterone_acetate thymus_cancer GAP_HIGH 0.2496 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) mepenzolate systemic_lupus_erythematosus GAP_HIGH 0.2496 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to bepridil (Jaccard=0.67) triamterene celiac_disease GAP_HIGH 0.2496 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in celiac_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) olmesartan coronary_artery_disease GAP_HIGH 0.2495 0.5714285714285714 eprosartan High-priority: Binding assay olmesartan→?; validate in coronary_artery_disease cell model. Expected: similar to eprosartan (Jaccard=0.57) methohexital alzheimers_disease GAP_HIGH 0.2495 0.5 clobazam High-priority: Binding assay methohexital→?; validate in alzheimers_disease cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital liver_cancer GAP_HIGH 0.2495 0.5 clobazam High-priority: Binding assay methohexital→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital parkinsons_disease GAP_HIGH 0.2495 0.5 clobazam High-priority: Binding assay methohexital→?; validate in parkinsons_disease cell model. Expected: similar to clobazam (Jaccard=0.50) doxycycline malaria GAP_HIGH 0.2495 0.4666666666666667 tetracycline High-priority: Binding assay doxycycline→?; validate in malaria cell model. Expected: similar to tetracycline (Jaccard=0.47) nelarabine pancreatic_cancer GAP_HIGH 0.2495 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in pancreatic_cancer cell model. Expected: similar to entecavir (Jaccard=0.44) mepenzolate skin_cancer GAP_HIGH 0.2494 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) regadenoson rheumatoid_arthritis GAP_HIGH 0.2494 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in rheumatoid_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.64) adenosine systemic_scleroderma GAP_HIGH 0.2494 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in systemic_scleroderma cell model. Expected: similar to lamivudine (Jaccard=0.62) methohexital amyotrophic_lateral_sclerosis GAP_HIGH 0.2494 0.5 clobazam High-priority: Binding assay methohexital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital autistic_disorder GAP_HIGH 0.2494 0.5 clobazam High-priority: Binding assay methohexital→?; validate in autistic_disorder cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital nicotine_dependence GAP_HIGH 0.2494 0.5 clobazam High-priority: Binding assay methohexital→?; validate in nicotine_dependence cell model. Expected: similar to clobazam (Jaccard=0.50) lubiprostone uterine_cancer GAP_HIGH 0.2494 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in uterine_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) nelarabine ulcerative_colitis GAP_HIGH 0.2494 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.44) dopamine vaginal_cancer GAP_HIGH 0.2493 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) dopamine vulva_cancer GAP_HIGH 0.2493 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) adinazolam psoriatic_arthritis GAP_HIGH 0.2493 0.7142857142857143 midazolam High-priority: Binding assay adinazolam→?; validate in psoriatic_arthritis cell model. Expected: similar to midazolam (Jaccard=0.71) mepenzolate testicular_cancer GAP_HIGH 0.2493 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) dopamine testicular_cancer GAP_HIGH 0.2492 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) mepenzolate vascular_cancer GAP_HIGH 0.2492 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) methohexital attention_deficit_hyperactivity_disorder GAP_HIGH 0.2492 0.5 clobazam High-priority: Binding assay methohexital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to clobazam (Jaccard=0.50) dopamine vascular_cancer GAP_HIGH 0.2491 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.75) l-arginine head_and_neck_cancer GAP_HIGH 0.2491 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine malignant_glioma GAP_HIGH 0.2491 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.64) regadenoson psoriatic_arthritis GAP_HIGH 0.2491 0.6363636363636364 vidarabine High-priority: Binding assay regadenoson→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.64) nelarabine systemic_lupus_erythematosus GAP_HIGH 0.2491 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to entecavir (Jaccard=0.44) estriol hypothyroidism GAP_HIGH 0.2491 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.33) azacitidine skin_cancer GAP_HIGH 0.249 0.6666666666666666 clofarabine High-priority: Binding assay azacitidine→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.67) mepenzolate systemic_scleroderma GAP_HIGH 0.249 0.6666666666666666 bepridil High-priority: Binding assay mepenzolate→?; validate in systemic_scleroderma cell model. Expected: similar to bepridil (Jaccard=0.67) adenosine polycystic_ovary_syndrome GAP_HIGH 0.249 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.62) l-arginine nephrolithiasis GAP_HIGH 0.2489 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.64) adenosine vitiligo GAP_HIGH 0.2489 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.62) methohexital breast_cancer GAP_HIGH 0.2489 0.5 clobazam High-priority: Binding assay methohexital→?; validate in breast_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital conduct_disorder GAP_HIGH 0.2489 0.5 clobazam High-priority: Binding assay methohexital→?; validate in conduct_disorder cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital panic_disorder GAP_HIGH 0.2489 0.5 clobazam High-priority: Binding assay methohexital→?; validate in panic_disorder cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital schizophrenia GAP_HIGH 0.2489 0.5 clobazam High-priority: Binding assay methohexital→?; validate in schizophrenia cell model. Expected: similar to clobazam (Jaccard=0.50) quazepam creutzfeldt-jakob_disease GAP_HIGH 0.2489 0.5 estazolam High-priority: Binding assay quazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.50) dopamine uterine_fibroid GAP_HIGH 0.2488 0.75 dipivefrin High-priority: Binding assay dopamine→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.75) methohexital allergic_rhinitis GAP_HIGH 0.2488 0.5 clobazam High-priority: Binding assay methohexital→?; validate in allergic_rhinitis cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital colon_cancer GAP_HIGH 0.2488 0.5 clobazam High-priority: Binding assay methohexital→?; validate in colon_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital hypertension GAP_HIGH 0.2488 0.5 clobazam High-priority: Binding assay methohexital→?; validate in hypertension cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital stomach_cancer GAP_HIGH 0.2488 0.5 clobazam High-priority: Binding assay methohexital→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) lubiprostone testicular_cancer GAP_HIGH 0.2488 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in testicular_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) lubiprostone vaginal_cancer GAP_HIGH 0.2488 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in vaginal_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) lubiprostone vulva_cancer GAP_HIGH 0.2488 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in vulva_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) adenosine rheumatoid_arthritis GAP_HIGH 0.2487 0.6153846153846154 lamivudine High-priority: Binding assay adenosine→?; validate in rheumatoid_arthritis cell model. Expected: similar to lamivudine (Jaccard=0.62) methohexital bipolar_disorder GAP_HIGH 0.2487 0.5 clobazam High-priority: Binding assay methohexital→?; validate in bipolar_disorder cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital pancreatic_cancer GAP_HIGH 0.2487 0.5 clobazam High-priority: Binding assay methohexital→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) lubiprostone vascular_cancer GAP_HIGH 0.2487 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in vascular_cancer cell model. Expected: similar to travoprost (Jaccard=0.44) cyproterone_acetate melanoma GAP_HIGH 0.2486 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in melanoma cell model. Expected: similar to prednicarbate (Jaccard=0.71) alcaftadine pharynx_cancer GAP_HIGH 0.2486 0.6 bimatoprost High-priority: Binding assay alcaftadine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) methohexital endogenous_depression GAP_HIGH 0.2486 0.5 clobazam High-priority: Binding assay methohexital→?; validate in endogenous_depression cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital ulcerative_colitis GAP_HIGH 0.2486 0.5 clobazam High-priority: Binding assay methohexital→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital uterine_cancer GAP_HIGH 0.2486 0.5 clobazam High-priority: Binding assay methohexital→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) esmolol restless_legs_syndrome GAP_HIGH 0.2485 0.6363636363636364 suprofen High-priority: Binding assay esmolol→?; validate in restless_legs_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) methohexital ovarian_cancer GAP_HIGH 0.2485 0.5 clobazam High-priority: Binding assay methohexital→?; validate in ovarian_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) beclomethasone asthma GAP_HIGH 0.2484 0.9166666666666666 rimexolone High-priority: Binding assay beclomethasone→?; validate in asthma cell model. Expected: similar to rimexolone (Jaccard=0.92) ephedrine allergic_rhinitis GAP_HIGH 0.2484 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in allergic_rhinitis cell model. Expected: similar to tropicamide (Jaccard=0.75) ephedrine hypertension GAP_HIGH 0.2484 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in hypertension cell model. Expected: similar to tropicamide (Jaccard=0.75) lubiprostone uterine_fibroid GAP_HIGH 0.2484 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in uterine_fibroid cell model. Expected: similar to travoprost (Jaccard=0.44) nelarabine systemic_scleroderma GAP_HIGH 0.2484 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in systemic_scleroderma cell model. Expected: similar to entecavir (Jaccard=0.44) ephedrine osteoporosis GAP_HIGH 0.2482 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in osteoporosis cell model. Expected: similar to tropicamide (Jaccard=0.75) beclomethasone psoriasis GAP_HIGH 0.2481 0.9166666666666666 rimexolone High-priority: Binding assay beclomethasone→?; validate in psoriasis cell model. Expected: similar to rimexolone (Jaccard=0.92) ephedrine migraine GAP_HIGH 0.2481 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in migraine cell model. Expected: similar to tropicamide (Jaccard=0.75) methohexital osteoarthritis GAP_HIGH 0.2481 0.5 clobazam High-priority: Binding assay methohexital→?; validate in osteoarthritis cell model. Expected: similar to clobazam (Jaccard=0.50) alcaftadine salivary_gland_cancer GAP_HIGH 0.248 0.6 bimatoprost High-priority: Binding assay alcaftadine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) epinephrine leprosy GAP_HIGH 0.248 0.6 pomalidomide High-priority: Binding assay epinephrine→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.60) methohexital vaginal_cancer GAP_HIGH 0.248 0.5 clobazam High-priority: Binding assay methohexital→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) methohexital vulva_cancer GAP_HIGH 0.248 0.5 clobazam High-priority: Binding assay methohexital→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) lubiprostone vitiligo GAP_HIGH 0.248 0.4444444444444444 travoprost High-priority: Binding assay lubiprostone→?; validate in vitiligo cell model. Expected: similar to travoprost (Jaccard=0.44) cyproterone_acetate pharynx_cancer GAP_HIGH 0.2479 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in pharynx_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) methohexital testicular_cancer GAP_HIGH 0.2479 0.5 clobazam High-priority: Binding assay methohexital→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) ephedrine osteoarthritis GAP_HIGH 0.2477 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in osteoarthritis cell model. Expected: similar to tropicamide (Jaccard=0.75) cyproterone_acetate thyroid_cancer GAP_HIGH 0.2477 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in thyroid_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) alcaftadine ocular_cancer GAP_HIGH 0.2477 0.6 bimatoprost High-priority: Binding assay alcaftadine→?; validate in ocular_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) nelarabine rheumatoid_arthritis GAP_HIGH 0.2477 0.4444444444444444 entecavir High-priority: Binding assay nelarabine→?; validate in rheumatoid_arthritis cell model. Expected: similar to entecavir (Jaccard=0.44) cyproterone_acetate chronic_obstructive_pulmonary_disease GAP_HIGH 0.2476 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to prednicarbate (Jaccard=0.71) olmesartan epilepsy_syndrome GAP_HIGH 0.2476 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in epilepsy_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.57) primidone barretts_esophagus GAP_HIGH 0.2476 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in barretts_esophagus cell model. Expected: similar to pantoprazole (Jaccard=0.20) methohexital uterine_fibroid GAP_HIGH 0.2475 0.5 clobazam High-priority: Binding assay methohexital→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.50) prazepam nicotine_dependence GAP_HIGH 0.2474 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in nicotine_dependence cell model. Expected: similar to cinolazepam (Jaccard=0.62) cyproterone_acetate salivary_gland_cancer GAP_HIGH 0.2473 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in salivary_gland_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) pyrimethamine crohns_disease GAP_HIGH 0.2473 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in crohns_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) cyproterone_acetate muscle_cancer GAP_HIGH 0.2472 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in muscle_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) methohexital polycystic_ovary_syndrome GAP_HIGH 0.2472 0.5 clobazam High-priority: Binding assay methohexital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.50) adenosine acquired_immunodeficiency_syndrome GAP_HIGH 0.2471 0.5294117647058824 regadenoson High-priority: Binding assay adenosine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to regadenoson (Jaccard=0.53) cyproterone_acetate ocular_cancer GAP_HIGH 0.247 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in ocular_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) l-arginine germ_cell_cancer GAP_HIGH 0.2469 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) pyrimethamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.2469 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) ephedrine type_2_diabetes_mellitus GAP_HIGH 0.2468 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to tropicamide (Jaccard=0.75) prazepam asthma GAP_HIGH 0.2468 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in asthma cell model. Expected: similar to cinolazepam (Jaccard=0.62) prazepam atopic_dermatitis GAP_HIGH 0.2468 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in atopic_dermatitis cell model. Expected: similar to cinolazepam (Jaccard=0.62) prazepam hypertension GAP_HIGH 0.2468 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in hypertension cell model. Expected: similar to cinolazepam (Jaccard=0.62) beclomethasone type_2_diabetes_mellitus GAP_HIGH 0.2467 0.9166666666666666 rimexolone High-priority: Binding assay beclomethasone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.92) cyproterone_acetate peripheral_nervous_system_neoplasm GAP_HIGH 0.2467 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to prednicarbate (Jaccard=0.71) cyproterone_acetate urinary_bladder_cancer GAP_HIGH 0.2467 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in urinary_bladder_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) pyrimethamine primary_biliary_cirrhosis GAP_HIGH 0.2467 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) ephedrine rheumatoid_arthritis GAP_HIGH 0.2466 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to tropicamide (Jaccard=0.75) pyrimethamine gout GAP_HIGH 0.2466 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in gout cell model. Expected: similar to methylphenidate (Jaccard=0.50) baclofen atherosclerosis GAP_HIGH 0.2466 0.4375 naproxen High-priority: Binding assay baclofen→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.44) prazepam osteoporosis GAP_HIGH 0.2465 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in osteoporosis cell model. Expected: similar to cinolazepam (Jaccard=0.62) ephedrine psoriatic_arthritis GAP_HIGH 0.2463 0.75 tropicamide High-priority: Binding assay ephedrine→?; validate in psoriatic_arthritis cell model. Expected: similar to tropicamide (Jaccard=0.75) l-arginine penile_cancer GAP_HIGH 0.2463 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) clofibrate celiac_disease GAP_HIGH 0.2463 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.60) olmesartan schizophrenia GAP_HIGH 0.2463 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in schizophrenia cell model. Expected: similar to telmisartan (Jaccard=0.57) olmesartan bipolar_disorder GAP_HIGH 0.2462 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in bipolar_disorder cell model. Expected: similar to telmisartan (Jaccard=0.57) triamterene crohns_disease GAP_HIGH 0.2462 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in crohns_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) l-arginine malignant_mesothelioma GAP_HIGH 0.2461 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.64) olmesartan ulcerative_colitis GAP_HIGH 0.2461 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in ulcerative_colitis cell model. Expected: similar to telmisartan (Jaccard=0.57) olmesartan multiple_sclerosis GAP_HIGH 0.246 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in multiple_sclerosis cell model. Expected: similar to telmisartan (Jaccard=0.57) olmesartan psoriasis GAP_HIGH 0.246 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in psoriasis cell model. Expected: similar to telmisartan (Jaccard=0.57) cyproterone_acetate sarcoma GAP_HIGH 0.2459 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in sarcoma cell model. Expected: similar to prednicarbate (Jaccard=0.71) fluorometholone metabolic_syndrome_x GAP_HIGH 0.2458 0.75 eplerenone High-priority: Binding assay fluorometholone→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.75) labetalol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2458 0.5 imipramine High-priority: Binding assay labetalol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to imipramine (Jaccard=0.50) triamterene idiopathic_pulmonary_fibrosis GAP_HIGH 0.2458 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) orlistat obesity GAP_HIGH 0.2458 0.42857142857142855 sodium_tetradecyl_sulfate High-priority: Binding assay orlistat→?; validate in obesity cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.43) olmesartan systemic_lupus_erythematosus GAP_HIGH 0.2457 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to telmisartan (Jaccard=0.57) prazepam systemic_scleroderma GAP_HIGH 0.2456 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in systemic_scleroderma cell model. Expected: similar to cinolazepam (Jaccard=0.62) pyrimethamine duodenum_cancer GAP_HIGH 0.2456 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine gallbladder_cancer GAP_HIGH 0.2456 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine melanoma GAP_HIGH 0.2456 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in melanoma cell model. Expected: similar to methylphenidate (Jaccard=0.50) cyproterone_acetate skin_cancer GAP_HIGH 0.2455 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in skin_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.71) l-arginine meningioma GAP_HIGH 0.2455 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.64) olmesartan osteoarthritis GAP_HIGH 0.2455 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in osteoarthritis cell model. Expected: similar to telmisartan (Jaccard=0.57) olmesartan skin_cancer GAP_HIGH 0.2455 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in skin_cancer cell model. Expected: similar to telmisartan (Jaccard=0.57) triamterene gout GAP_HIGH 0.2455 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in gout cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene primary_biliary_cirrhosis GAP_HIGH 0.2455 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) fluorometholone obesity GAP_HIGH 0.2454 0.75 eplerenone High-priority: Binding assay fluorometholone→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.75) cyproterone_acetate osteoarthritis GAP_HIGH 0.2454 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in osteoarthritis cell model. Expected: similar to prednicarbate (Jaccard=0.71) pemetrexed gout GAP_HIGH 0.2454 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.60) glisoxepide kidney_cancer GAP_HIGH 0.2454 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in kidney_cancer cell model. Expected: similar to tolazamide (Jaccard=0.50) ethotoin azoospermia GAP_HIGH 0.2453 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in azoospermia cell model. Expected: similar to phenytoin (Jaccard=0.76) pirbuterol hematologic_cancer GAP_HIGH 0.2453 0.6666666666666666 terbutaline High-priority: Binding assay pirbuterol→?; validate in hematologic_cancer cell model. Expected: similar to terbutaline (Jaccard=0.67) aminophenazone creutzfeldt-jakob_disease GAP_HIGH 0.2452 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine sclerosing_cholangitis GAP_HIGH 0.2452 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) orlistat type_2_diabetes_mellitus GAP_HIGH 0.2452 0.42857142857142855 sodium_tetradecyl_sulfate High-priority: Binding assay orlistat→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.43) olmesartan systemic_scleroderma GAP_HIGH 0.2451 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in systemic_scleroderma cell model. Expected: similar to telmisartan (Jaccard=0.57) levomilnacipran type_1_diabetes_mellitus GAP_HIGH 0.245 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) fluorometholone type_2_diabetes_mellitus GAP_HIGH 0.2449 0.75 eplerenone High-priority: Binding assay fluorometholone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.75) pyrimethamine ankylosing_spondylitis GAP_HIGH 0.2448 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) prazepam psoriatic_arthritis GAP_HIGH 0.2447 0.625 cinolazepam High-priority: Binding assay prazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to cinolazepam (Jaccard=0.62) olmesartan restless_legs_syndrome GAP_HIGH 0.2447 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in restless_legs_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.57) l-arginine mediastinal_cancer GAP_HIGH 0.2446 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine primary_biliary_cirrhosis GAP_HIGH 0.2446 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to doxorubicin (Jaccard=0.64) olmesartan vitiligo GAP_HIGH 0.2446 0.5714285714285714 telmisartan High-priority: Binding assay olmesartan→?; validate in vitiligo cell model. Expected: similar to telmisartan (Jaccard=0.57) pyrimethamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2446 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) carbidopa parkinsons_disease GAP_HIGH 0.2445 0.9375 methyldopa High-priority: Binding assay carbidopa→?; validate in parkinsons_disease cell model. Expected: similar to methyldopa (Jaccard=0.94) cyproterone_acetate vitiligo GAP_HIGH 0.2445 0.7142857142857143 prednicarbate High-priority: Binding assay cyproterone_acetate→?; validate in vitiligo cell model. Expected: similar to prednicarbate (Jaccard=0.71) l-arginine thymus_cancer GAP_HIGH 0.2445 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) triamterene duodenum_cancer GAP_HIGH 0.2445 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene gallbladder_cancer GAP_HIGH 0.2445 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene melanoma GAP_HIGH 0.2445 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in melanoma cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine pharynx_cancer GAP_HIGH 0.2444 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) calcitriol chronic_kidney_failure GAP_HIGH 0.2443 0.625 dihydrotachysterol High-priority: Binding assay calcitriol→?; validate in chronic_kidney_failure cell model. Expected: similar to dihydrotachysterol (Jaccard=0.62) pyrimethamine pancreatitis GAP_HIGH 0.2443 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in pancreatitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine thyroid_cancer GAP_HIGH 0.2441 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) triamterene sclerosing_cholangitis GAP_HIGH 0.2441 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in sclerosing_cholangitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) ethotoin malignant_mesothelioma GAP_HIGH 0.244 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.76) pyrimethamine lung_cancer GAP_HIGH 0.244 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in lung_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine rectum_cancer GAP_HIGH 0.244 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) aminophenazone alzheimers_disease GAP_HIGH 0.2439 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone parkinsons_disease GAP_HIGH 0.2439 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine alzheimers_disease GAP_HIGH 0.2439 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in alzheimers_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine liver_cancer GAP_HIGH 0.2439 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in liver_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine parkinsons_disease GAP_HIGH 0.2439 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in parkinsons_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) aminophenazone amyotrophic_lateral_sclerosis GAP_HIGH 0.2438 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone autistic_disorder GAP_HIGH 0.2438 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone nicotine_dependence GAP_HIGH 0.2438 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine amyotrophic_lateral_sclerosis GAP_HIGH 0.2438 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine autistic_disorder GAP_HIGH 0.2438 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in autistic_disorder cell model. Expected: similar to methylphenidate (Jaccard=0.50) dapsone leprosy GAP_HIGH 0.2437 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in leprosy cell model. Expected: similar to sulfamethizole (Jaccard=0.62) pyrimethamine peripheral_nervous_system_neoplasm GAP_HIGH 0.2437 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine muscle_cancer GAP_HIGH 0.2436 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) l-arginine melanoma GAP_HIGH 0.2436 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in melanoma cell model. Expected: similar to doxorubicin (Jaccard=0.64) aminophenazone attention_deficit_hyperactivity_disorder GAP_HIGH 0.2436 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) triamterene ankylosing_spondylitis GAP_HIGH 0.2436 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in ankylosing_spondylitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) l-arginine duodenum_cancer GAP_HIGH 0.2435 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine gallbladder_cancer GAP_HIGH 0.2435 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) triamterene chronic_obstructive_pulmonary_disease GAP_HIGH 0.2435 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) amodiaquine focal_segmental_glomerulosclerosis GAP_HIGH 0.2434 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminophenazone asthma GAP_HIGH 0.2433 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone conduct_disorder GAP_HIGH 0.2433 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone panic_disorder GAP_HIGH 0.2433 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone schizophrenia GAP_HIGH 0.2433 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine asthma GAP_HIGH 0.2433 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in asthma cell model. Expected: similar to methylphenidate (Jaccard=0.50) ethotoin crohns_disease GAP_HIGH 0.2432 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) levomilnacipran celiac_disease GAP_HIGH 0.2432 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) l-arginine sclerosing_cholangitis GAP_HIGH 0.2432 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in sclerosing_cholangitis cell model. Expected: similar to doxorubicin (Jaccard=0.64) aminophenazone allergic_rhinitis GAP_HIGH 0.2432 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone atopic_dermatitis GAP_HIGH 0.2432 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine allergic_rhinitis GAP_HIGH 0.2432 0.5 oxybutynin High-priority: Binding assay pyrimethamine→?; validate in allergic_rhinitis cell model. Expected: similar to oxybutynin (Jaccard=0.50) pyrimethamine atopic_dermatitis GAP_HIGH 0.2432 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in atopic_dermatitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine colon_cancer GAP_HIGH 0.2432 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in colon_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine stomach_cancer GAP_HIGH 0.2432 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in stomach_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene pancreatitis GAP_HIGH 0.2432 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in pancreatitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine urinary_bladder_cancer GAP_HIGH 0.2431 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) aminophenazone bipolar_disorder GAP_HIGH 0.2431 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine pancreatic_cancer GAP_HIGH 0.2431 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in pancreatic_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) aminophenazone endogenous_depression GAP_HIGH 0.243 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.50) pyrimethamine psoriasis GAP_HIGH 0.243 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in psoriasis cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine ulcerative_colitis GAP_HIGH 0.243 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in ulcerative_colitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) proparacaine prostate_cancer GAP_HIGH 0.2429 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in prostate_cancer cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) l-arginine pharynx_cancer GAP_HIGH 0.2429 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in pharynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) cilazapril coronary_artery_disease GAP_HIGH 0.2429 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.60) pyrimethamine multiple_sclerosis GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in multiple_sclerosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine osteoporosis GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in osteoporosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine ovarian_cancer GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine sarcoma GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in sarcoma cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene lung_cancer GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in lung_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene rectum_cancer GAP_HIGH 0.2429 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) polythiazide vulva_cancer GAP_HIGH 0.2429 0.45454545454545453 hydrochlorothiazide High-priority: Binding assay polythiazide→?; validate in vulva_cancer cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.45) lisinopril dilated_cardiomyopathy GAP_HIGH 0.2428 0.7777777777777778 trandolapril High-priority: Binding assay lisinopril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.78) clofibrate crohns_disease GAP_HIGH 0.2428 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.60) triamterene alzheimers_disease GAP_HIGH 0.2428 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in alzheimers_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene liver_cancer GAP_HIGH 0.2428 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in liver_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene parkinsons_disease GAP_HIGH 0.2428 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in parkinsons_disease cell model. Expected: similar to methylphenidate (Jaccard=0.50) ethotoin prostate_cancer GAP_HIGH 0.2427 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) pirbuterol amyotrophic_lateral_sclerosis GAP_HIGH 0.2427 0.6666666666666666 terbutaline High-priority: Binding assay pirbuterol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to terbutaline (Jaccard=0.67) pyrimethamine systemic_lupus_erythematosus GAP_HIGH 0.2427 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene amyotrophic_lateral_sclerosis GAP_HIGH 0.2427 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene autistic_disorder GAP_HIGH 0.2427 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in autistic_disorder cell model. Expected: similar to methylphenidate (Jaccard=0.50) methohexital azoospermia GAP_HIGH 0.2427 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in azoospermia cell model. Expected: similar to fosphenytoin (Jaccard=0.45) penicillamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.2427 0.4230769230769231 acetylcysteine High-priority: Binding assay penicillamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to acetylcysteine (Jaccard=0.42) ethotoin mediastinal_cancer GAP_HIGH 0.2426 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) epinephrine stomach_cancer GAP_HIGH 0.2426 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) aminophenazone metabolic_syndrome_x GAP_HIGH 0.2426 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in metabolic_syndrome_x cell model. Expected: similar to ezetimibe (Jaccard=0.50) triamterene peripheral_nervous_system_neoplasm GAP_HIGH 0.2426 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.50) nitisinone multiple_sclerosis GAP_HIGH 0.2426 0.3333333333333333 nitrofural High-priority: Binding assay nitisinone→?; validate in multiple_sclerosis cell model. Expected: similar to nitrofural (Jaccard=0.33) proparacaine coronary_artery_disease GAP_HIGH 0.2425 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in coronary_artery_disease cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) ethotoin thymus_cancer GAP_HIGH 0.2424 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) epinephrine uterine_cancer GAP_HIGH 0.2424 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) pyrimethamine osteoarthritis GAP_HIGH 0.2424 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in osteoarthritis cell model. Expected: similar to methylphenidate (Jaccard=0.50) polythiazide uterine_fibroid GAP_HIGH 0.2424 0.45454545454545453 hydrochlorothiazide High-priority: Binding assay polythiazide→?; validate in uterine_fibroid cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.45) ethotoin coronary_artery_disease GAP_HIGH 0.2423 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin narcolepsy GAP_HIGH 0.2423 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in narcolepsy cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine pancreatitis GAP_HIGH 0.2423 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in pancreatitis cell model. Expected: similar to doxorubicin (Jaccard=0.64) carbidopa restless_legs_syndrome GAP_HIGH 0.2422 0.9375 methyldopa High-priority: Binding assay carbidopa→?; validate in restless_legs_syndrome cell model. Expected: similar to methyldopa (Jaccard=0.94) pirbuterol breast_cancer GAP_HIGH 0.2422 0.6666666666666666 terbutaline High-priority: Binding assay pirbuterol→?; validate in breast_cancer cell model. Expected: similar to terbutaline (Jaccard=0.67) l-arginine salivary_gland_cancer GAP_HIGH 0.2422 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in salivary_gland_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) clofibrate gout GAP_HIGH 0.2422 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in gout cell model. Expected: similar to sulfanilamide (Jaccard=0.60) aminophenazone obesity GAP_HIGH 0.2422 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in obesity cell model. Expected: similar to ezetimibe (Jaccard=0.50) triamterene asthma GAP_HIGH 0.2422 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in asthma cell model. Expected: similar to methylphenidate (Jaccard=0.50) pyrimethamine leprosy GAP_HIGH 0.2422 0.375 phenmetrazine High-priority: Binding assay pyrimethamine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.38) adinazolam creutzfeldt-jakob_disease GAP_HIGH 0.2421 0.6666666666666666 estazolam High-priority: Binding assay adinazolam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.67) triamterene atopic_dermatitis GAP_HIGH 0.2421 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in atopic_dermatitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene colon_cancer GAP_HIGH 0.2421 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in colon_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene stomach_cancer GAP_HIGH 0.2421 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in stomach_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) l-arginine ocular_cancer GAP_HIGH 0.242 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in ocular_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine rectum_cancer GAP_HIGH 0.242 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in rectum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol duodenum_cancer GAP_HIGH 0.242 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol gallbladder_cancer GAP_HIGH 0.242 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) pyrimethamine systemic_scleroderma GAP_HIGH 0.242 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in systemic_scleroderma cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene allergic_rhinitis GAP_HIGH 0.242 0.5 oxybutynin High-priority: Binding assay triamterene→?; validate in allergic_rhinitis cell model. Expected: similar to oxybutynin (Jaccard=0.50) triamterene pancreatic_cancer GAP_HIGH 0.242 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in pancreatic_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) levomilnacipran azoospermia GAP_HIGH 0.2419 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.71) pirbuterol ovarian_cancer GAP_HIGH 0.2419 0.6666666666666666 terbutaline High-priority: Binding assay pirbuterol→?; validate in ovarian_cancer cell model. Expected: similar to terbutaline (Jaccard=0.67) pyrimethamine uterine_fibroid GAP_HIGH 0.2419 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in uterine_fibroid cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene psoriasis GAP_HIGH 0.2419 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in psoriasis cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene ulcerative_colitis GAP_HIGH 0.2419 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in ulcerative_colitis cell model. Expected: similar to methylphenidate (Jaccard=0.50) polythiazide rheumatoid_arthritis GAP_HIGH 0.2419 0.45454545454545453 hydrochlorothiazide High-priority: Binding assay polythiazide→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.45) solifenacin hematologic_cancer GAP_HIGH 0.2419 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) solifenacin narcolepsy GAP_HIGH 0.2419 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.40) epinephrine testicular_cancer GAP_HIGH 0.2418 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) epinephrine vaginal_cancer GAP_HIGH 0.2418 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in vaginal_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) epinephrine vulva_cancer GAP_HIGH 0.2418 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in vulva_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) triamterene multiple_sclerosis GAP_HIGH 0.2418 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in multiple_sclerosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene osteoporosis GAP_HIGH 0.2418 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in osteoporosis cell model. Expected: similar to methylphenidate (Jaccard=0.50) triamterene ovarian_cancer GAP_HIGH 0.2418 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine vascular_cancer GAP_HIGH 0.2417 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in vascular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.75) propofol creutzfeldt-jakob_disease GAP_HIGH 0.2417 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clobazam (Jaccard=0.62) cilazapril creutzfeldt-jakob_disease GAP_HIGH 0.2417 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.60) pemetrexed osteoporosis GAP_HIGH 0.2417 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in osteoporosis cell model. Expected: similar to methotrexate (Jaccard=0.60) triamterene sarcoma GAP_HIGH 0.2417 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in sarcoma cell model. Expected: similar to methylphenidate (Jaccard=0.50) aminophenazone polycystic_ovary_syndrome GAP_HIGH 0.2416 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.50) aminophenazone type_2_diabetes_mellitus GAP_HIGH 0.2416 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to ezetimibe (Jaccard=0.50) triamterene systemic_lupus_erythematosus GAP_HIGH 0.2416 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methylphenidate (Jaccard=0.50) glimepiride idiopathic_pulmonary_fibrosis GAP_HIGH 0.2416 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.46) ethotoin melanoma GAP_HIGH 0.2415 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.76) pyrimethamine vitiligo GAP_HIGH 0.2415 0.5 methylphenidate High-priority: Binding assay pyrimethamine→?; validate in vitiligo cell model. Expected: similar to methylphenidate (Jaccard=0.50) epinephrine uterine_fibroid GAP_HIGH 0.2414 0.75 thalidomide High-priority: Binding assay epinephrine→?; validate in uterine_fibroid cell model. Expected: similar to thalidomide (Jaccard=0.75) estropipate hypothyroidism GAP_HIGH 0.2414 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.33) aminophenazone rheumatoid_arthritis GAP_HIGH 0.2413 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in rheumatoid_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.50) gliquidone osteoporosis GAP_HIGH 0.2413 0.5 chlorpropamide High-priority: Binding assay gliquidone→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.50) glisoxepide idiopathic_pulmonary_fibrosis GAP_HIGH 0.2413 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.50) triamterene osteoarthritis GAP_HIGH 0.2413 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in osteoarthritis cell model. Expected: similar to methylphenidate (Jaccard=0.50) penicillamine glaucoma GAP_HIGH 0.2413 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in glaucoma cell model. Expected: similar to l-histidine (Jaccard=0.40) l-arginine colon_cancer GAP_HIGH 0.2412 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in colon_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) amodiaquine chronic_kidney_failure GAP_HIGH 0.2412 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.61) pemetrexed osteoarthritis GAP_HIGH 0.2412 0.6 methotrexate High-priority: Binding assay pemetrexed→?; validate in osteoarthritis cell model. Expected: similar to methotrexate (Jaccard=0.60) ethotoin creutzfeldt-jakob_disease GAP_HIGH 0.2411 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) aminophenazone psoriatic_arthritis GAP_HIGH 0.2411 0.5 ezetimibe High-priority: Binding assay aminophenazone→?; validate in psoriatic_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.50) l-arginine ulcerative_colitis GAP_HIGH 0.241 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in ulcerative_colitis cell model. Expected: similar to doxorubicin (Jaccard=0.64) glisoxepide gout GAP_HIGH 0.241 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in gout cell model. Expected: similar to tolazamide (Jaccard=0.50) triamterene systemic_scleroderma GAP_HIGH 0.2409 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in systemic_scleroderma cell model. Expected: similar to methylphenidate (Jaccard=0.50) clofibrate sclerosing_cholangitis GAP_HIGH 0.2408 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) triamterene uterine_fibroid GAP_HIGH 0.2408 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in uterine_fibroid cell model. Expected: similar to methylphenidate (Jaccard=0.50) carprofen esophageal_cancer GAP_HIGH 0.2407 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) pirbuterol restless_legs_syndrome GAP_HIGH 0.2406 0.6666666666666666 terbutaline High-priority: Binding assay pirbuterol→?; validate in restless_legs_syndrome cell model. Expected: similar to terbutaline (Jaccard=0.67) l-arginine systemic_lupus_erythematosus GAP_HIGH 0.2406 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to doxorubicin (Jaccard=0.64) butabarbital kidney_cancer GAP_HIGH 0.2406 0.5238095238095238 quinacrine High-priority: Binding assay butabarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.52) methohexital crohns_disease GAP_HIGH 0.2406 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in crohns_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.45) ethotoin thyroid_cancer GAP_HIGH 0.2405 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) propofol lung_cancer GAP_HIGH 0.2405 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol rectum_cancer GAP_HIGH 0.2405 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) ethotoin chronic_obstructive_pulmonary_disease GAP_HIGH 0.2404 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine skin_cancer GAP_HIGH 0.2404 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in skin_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol alzheimers_disease GAP_HIGH 0.2404 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in alzheimers_disease cell model. Expected: similar to clobazam (Jaccard=0.62) propofol liver_cancer GAP_HIGH 0.2404 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol parkinsons_disease GAP_HIGH 0.2404 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in parkinsons_disease cell model. Expected: similar to clobazam (Jaccard=0.62) cilazapril alzheimers_disease GAP_HIGH 0.2404 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.60) cilazapril parkinsons_disease GAP_HIGH 0.2404 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.60) triamterene vitiligo GAP_HIGH 0.2404 0.5 methylphenidate High-priority: Binding assay triamterene→?; validate in vitiligo cell model. Expected: similar to methylphenidate (Jaccard=0.50) methohexital kidney_cancer GAP_HIGH 0.2404 0.44 quinacrine High-priority: Binding assay methohexital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.44) solifenacin pharynx_cancer GAP_HIGH 0.2404 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) nimodipine rheumatoid_arthritis GAP_HIGH 0.2403 0.6666666666666666 nisoldipine High-priority: Binding assay nimodipine→?; validate in rheumatoid_arthritis cell model. Expected: similar to nisoldipine (Jaccard=0.67) l-arginine vaginal_cancer GAP_HIGH 0.2403 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in vaginal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine vulva_cancer GAP_HIGH 0.2403 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in vulva_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol amyotrophic_lateral_sclerosis GAP_HIGH 0.2403 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clobazam (Jaccard=0.62) propofol autistic_disorder GAP_HIGH 0.2403 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in autistic_disorder cell model. Expected: similar to clobazam (Jaccard=0.62) propofol nicotine_dependence GAP_HIGH 0.2403 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in nicotine_dependence cell model. Expected: similar to clobazam (Jaccard=0.62) cilazapril amyotrophic_lateral_sclerosis GAP_HIGH 0.2403 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.60) clofibrate ankylosing_spondylitis GAP_HIGH 0.2403 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) ethotoin pancreatitis GAP_HIGH 0.2402 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in pancreatitis cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine vascular_cancer GAP_HIGH 0.2402 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in vascular_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol attention_deficit_hyperactivity_disorder GAP_HIGH 0.2401 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to clobazam (Jaccard=0.62) clofibrate epilepsy_syndrome GAP_HIGH 0.2401 0.6 aminoglutethimide High-priority: Binding assay clofibrate→?; validate in epilepsy_syndrome cell model. Expected: similar to aminoglutethimide (Jaccard=0.60) ethotoin muscle_cancer GAP_HIGH 0.24 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine systemic_scleroderma GAP_HIGH 0.24 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in systemic_scleroderma cell model. Expected: similar to doxorubicin (Jaccard=0.64) penicillamine refractive_error GAP_HIGH 0.24 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in refractive_error cell model. Expected: similar to l-histidine (Jaccard=0.40) ethotoin lung_cancer GAP_HIGH 0.2399 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine uterine_fibroid GAP_HIGH 0.2399 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in uterine_fibroid cell model. Expected: similar to doxorubicin (Jaccard=0.64) ethotoin alzheimers_disease GAP_HIGH 0.2398 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in alzheimers_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin parkinsons_disease GAP_HIGH 0.2398 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in parkinsons_disease cell model. Expected: similar to phenytoin (Jaccard=0.76) methadyl_acetate esophageal_cancer GAP_HIGH 0.2398 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) levomilnacipran crohns_disease GAP_HIGH 0.2398 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in crohns_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) propofol conduct_disorder GAP_HIGH 0.2398 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in conduct_disorder cell model. Expected: similar to clobazam (Jaccard=0.62) propofol panic_disorder GAP_HIGH 0.2398 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in panic_disorder cell model. Expected: similar to clobazam (Jaccard=0.62) propofol schizophrenia GAP_HIGH 0.2398 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in schizophrenia cell model. Expected: similar to clobazam (Jaccard=0.62) amodiaquine membranous_glomerulonephritis GAP_HIGH 0.2398 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) solifenacin salivary_gland_cancer GAP_HIGH 0.2398 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) vitamin_c larynx_cancer GAP_HIGH 0.2398 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) ethotoin amyotrophic_lateral_sclerosis GAP_HIGH 0.2397 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin autistic_disorder GAP_HIGH 0.2397 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in autistic_disorder cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin nicotine_dependence GAP_HIGH 0.2397 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in nicotine_dependence cell model. Expected: similar to phenytoin (Jaccard=0.76) propofol breast_cancer GAP_HIGH 0.2397 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in breast_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol colon_cancer GAP_HIGH 0.2397 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in colon_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol hypertension GAP_HIGH 0.2397 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in hypertension cell model. Expected: similar to clobazam (Jaccard=0.62) propofol stomach_cancer GAP_HIGH 0.2397 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) methohexital narcolepsy GAP_HIGH 0.2397 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in narcolepsy cell model. Expected: similar to fosphenytoin (Jaccard=0.45) solifenacin muscle_cancer GAP_HIGH 0.2397 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) ethotoin urinary_bladder_cancer GAP_HIGH 0.2396 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) l-arginine polycystic_ovary_syndrome GAP_HIGH 0.2396 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to doxorubicin (Jaccard=0.64) l-arginine type_2_diabetes_mellitus GAP_HIGH 0.2396 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol allergic_rhinitis GAP_HIGH 0.2396 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in allergic_rhinitis cell model. Expected: similar to clobazam (Jaccard=0.62) propofol bipolar_disorder GAP_HIGH 0.2396 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in bipolar_disorder cell model. Expected: similar to clobazam (Jaccard=0.62) propofol pancreatic_cancer GAP_HIGH 0.2396 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) l-arginine vitiligo GAP_HIGH 0.2395 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in vitiligo cell model. Expected: similar to doxorubicin (Jaccard=0.64) propofol endogenous_depression GAP_HIGH 0.2395 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in endogenous_depression cell model. Expected: similar to clobazam (Jaccard=0.62) propofol ulcerative_colitis GAP_HIGH 0.2395 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.62) solifenacin ocular_cancer GAP_HIGH 0.2395 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) clocortolone type_1_diabetes_mellitus GAP_HIGH 0.2394 0.8333333333333334 rimexolone High-priority: Binding assay clocortolone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.83) difluprednate type_1_diabetes_mellitus GAP_HIGH 0.2394 0.8333333333333334 rimexolone High-priority: Binding assay difluprednate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.83) propofol ovarian_cancer GAP_HIGH 0.2394 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in ovarian_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol uterine_cancer GAP_HIGH 0.2394 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) cilazapril multiple_sclerosis GAP_HIGH 0.2394 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.60) levomilnacipran prostate_cancer GAP_HIGH 0.2393 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) l-arginine rheumatoid_arthritis GAP_HIGH 0.2393 0.6363636363636364 doxorubicin High-priority: Binding assay l-arginine→?; validate in rheumatoid_arthritis cell model. Expected: similar to doxorubicin (Jaccard=0.64) glimepiride chronic_obstructive_pulmonary_disease GAP_HIGH 0.2393 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.46) solifenacin peripheral_nervous_system_neoplasm GAP_HIGH 0.2392 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.40) solifenacin urinary_bladder_cancer GAP_HIGH 0.2392 0.4 aspartame High-priority: Binding assay solifenacin→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) ethotoin colon_cancer GAP_HIGH 0.2391 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in colon_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin hypertension GAP_HIGH 0.2391 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in hypertension cell model. Expected: similar to phenytoin (Jaccard=0.76) levomilnacipran gout GAP_HIGH 0.2391 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran primary_biliary_cirrhosis GAP_HIGH 0.2391 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) ethotoin pancreatic_cancer GAP_HIGH 0.239 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in pancreatic_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin stomach_cancer GAP_HIGH 0.239 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in stomach_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) proparacaine osteoporosis GAP_HIGH 0.239 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in osteoporosis cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) glisoxepide chronic_obstructive_pulmonary_disease GAP_HIGH 0.239 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.50) ethotoin psoriasis GAP_HIGH 0.2389 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in psoriasis cell model. Expected: similar to phenytoin (Jaccard=0.76) levomilnacipran coronary_artery_disease GAP_HIGH 0.2389 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in coronary_artery_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) proparacaine migraine GAP_HIGH 0.2389 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in migraine cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) propofol osteoarthritis GAP_HIGH 0.2389 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in osteoarthritis cell model. Expected: similar to clobazam (Jaccard=0.62) ethotoin ovarian_cancer GAP_HIGH 0.2388 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in ovarian_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) propofol testicular_cancer GAP_HIGH 0.2388 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol vaginal_cancer GAP_HIGH 0.2388 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) propofol vulva_cancer GAP_HIGH 0.2388 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.62) clofibrate colon_cancer GAP_HIGH 0.2388 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.60) ethotoin sarcoma GAP_HIGH 0.2387 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.76) proparacaine systemic_lupus_erythematosus GAP_HIGH 0.2387 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) propofol malaria GAP_HIGH 0.2387 0.5333333333333333 butabarbital High-priority: Binding assay propofol→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.53) proparacaine metabolic_syndrome_x GAP_HIGH 0.2386 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) clofibrate ulcerative_colitis GAP_HIGH 0.2386 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) ethotoin systemic_lupus_erythematosus GAP_HIGH 0.2385 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.76) proparacaine osteoarthritis GAP_HIGH 0.2385 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in osteoarthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) clofibrate osteoporosis GAP_HIGH 0.2385 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in osteoporosis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) clofibrate psoriasis GAP_HIGH 0.2385 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) ethotoin metabolic_syndrome_x GAP_HIGH 0.2384 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenytoin (Jaccard=0.76) propofol uterine_fibroid GAP_HIGH 0.2384 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.62) clofibrate migraine GAP_HIGH 0.2384 0.6 aminoglutethimide High-priority: Binding assay clofibrate→?; validate in migraine cell model. Expected: similar to aminoglutethimide (Jaccard=0.60) triamterene leprosy GAP_HIGH 0.2384 0.375 phenmetrazine High-priority: Binding assay triamterene→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.38) ethotoin skin_cancer GAP_HIGH 0.2383 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) ethynodiol intracranial_aneurysm GAP_HIGH 0.2383 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in intracranial_aneurysm cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) ethotoin testicular_cancer GAP_HIGH 0.2382 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in testicular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) carprofen celiac_disease GAP_HIGH 0.2382 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.64) clofibrate systemic_lupus_erythematosus GAP_HIGH 0.2382 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sulfanilamide (Jaccard=0.60) ribavirin membranous_glomerulonephritis GAP_HIGH 0.2382 0.5909090909090909 vidarabine High-priority: Binding assay ribavirin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to vidarabine (Jaccard=0.59) ethotoin vascular_cancer GAP_HIGH 0.2381 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in vascular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.76) levomilnacipran melanoma GAP_HIGH 0.2381 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) proparacaine systemic_scleroderma GAP_HIGH 0.2381 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in systemic_scleroderma cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) propofol polycystic_ovary_syndrome GAP_HIGH 0.2381 0.6153846153846154 clobazam High-priority: Binding assay propofol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.62) cilazapril restless_legs_syndrome GAP_HIGH 0.2381 0.6 moexipril High-priority: Binding assay cilazapril→?; validate in restless_legs_syndrome cell model. Expected: similar to moexipril (Jaccard=0.60) methohexital ankylosing_spondylitis GAP_HIGH 0.2381 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in ankylosing_spondylitis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) ethotoin obesity GAP_HIGH 0.238 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in obesity cell model. Expected: similar to phenytoin (Jaccard=0.76) levomilnacipran duodenum_cancer GAP_HIGH 0.238 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran gallbladder_cancer GAP_HIGH 0.238 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) clofibrate osteoarthritis GAP_HIGH 0.238 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in osteoarthritis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) primidone gilles_de_la_tourette_syndrome GAP_HIGH 0.238 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.50) ethotoin systemic_scleroderma GAP_HIGH 0.2379 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in systemic_scleroderma cell model. Expected: similar to phenytoin (Jaccard=0.76) glimepiride atopic_dermatitis GAP_HIGH 0.2379 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.46) telbivudine acquired_immunodeficiency_syndrome GAP_HIGH 0.2379 0.3333333333333333 entecavir High-priority: Binding assay telbivudine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to entecavir (Jaccard=0.33) raloxifene idiopathic_pulmonary_fibrosis GAP_HIGH 0.2378 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to alcaftadine (Jaccard=0.75) vitamin_c esophageal_cancer GAP_HIGH 0.2378 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) levomilnacipran sclerosing_cholangitis GAP_HIGH 0.2377 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) proparacaine restless_legs_syndrome GAP_HIGH 0.2377 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in restless_legs_syndrome cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) glimepiride psoriasis GAP_HIGH 0.2377 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.46) proparacaine type_2_diabetes_mellitus GAP_HIGH 0.2376 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) clofibrate systemic_scleroderma GAP_HIGH 0.2376 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in systemic_scleroderma cell model. Expected: similar to sulfanilamide (Jaccard=0.60) glisoxepide atopic_dermatitis GAP_HIGH 0.2376 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.50) methohexital pancreatitis GAP_HIGH 0.2376 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in pancreatitis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) methohexital focal_segmental_glomerulosclerosis GAP_HIGH 0.2376 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.42) ethotoin polycystic_ovary_syndrome GAP_HIGH 0.2375 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenytoin (Jaccard=0.76) ethotoin type_2_diabetes_mellitus GAP_HIGH 0.2375 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenytoin (Jaccard=0.76) ethynodiol malignant_glioma GAP_HIGH 0.2375 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in malignant_glioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) glisoxepide pancreatic_cancer GAP_HIGH 0.2375 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in pancreatic_cancer cell model. Expected: similar to tolazamide (Jaccard=0.50) ethotoin vitiligo GAP_HIGH 0.2374 0.76 phenytoin High-priority: Binding assay ethotoin→?; validate in vitiligo cell model. Expected: similar to phenytoin (Jaccard=0.76) proparacaine rheumatoid_arthritis GAP_HIGH 0.2374 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in rheumatoid_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) deferasirox type_1_diabetes_mellitus GAP_HIGH 0.2374 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to linaclotide (Jaccard=0.50) glisoxepide psoriasis GAP_HIGH 0.2374 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.50) glimepiride systemic_lupus_erythematosus GAP_HIGH 0.2374 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zafirlukast (Jaccard=0.46) vitamin_c focal_segmental_glomerulosclerosis GAP_HIGH 0.2374 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to amsacrine (Jaccard=0.33) glisoxepide multiple_sclerosis GAP_HIGH 0.2373 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in multiple_sclerosis cell model. Expected: similar to tolazamide (Jaccard=0.50) baclofen azoospermia GAP_HIGH 0.2373 0.4375 naproxen High-priority: Binding assay baclofen→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.44) levomilnacipran ankylosing_spondylitis GAP_HIGH 0.2372 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) glimepiride skin_cancer GAP_HIGH 0.2372 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.46) proparacaine psoriatic_arthritis GAP_HIGH 0.2371 0.6875 oxybuprocaine High-priority: Binding assay proparacaine→?; validate in psoriatic_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.69) melphalan larynx_cancer GAP_HIGH 0.2371 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) glisoxepide systemic_lupus_erythematosus GAP_HIGH 0.2371 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zafirlukast (Jaccard=0.50) levomilnacipran chronic_obstructive_pulmonary_disease GAP_HIGH 0.237 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine coronary_artery_disease GAP_HIGH 0.237 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) butabarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.237 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) clofibrate rheumatoid_arthritis GAP_HIGH 0.2369 0.6 sulfanilamide High-priority: Binding assay clofibrate→?; validate in rheumatoid_arthritis cell model. Expected: similar to sulfanilamide (Jaccard=0.60) glisoxepide skin_cancer GAP_HIGH 0.2369 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.50) levomilnacipran pancreatitis GAP_HIGH 0.2368 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in pancreatitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) glisoxepide osteoarthritis GAP_HIGH 0.2368 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in osteoarthritis cell model. Expected: similar to tolazamide (Jaccard=0.50) glimepiride systemic_scleroderma GAP_HIGH 0.2367 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in systemic_scleroderma cell model. Expected: similar to zafirlukast (Jaccard=0.46) aminoglutethimide celiac_disease GAP_HIGH 0.2366 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.50) methohexital asthma GAP_HIGH 0.2366 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in asthma cell model. Expected: similar to fosphenytoin (Jaccard=0.45) levomilnacipran lung_cancer GAP_HIGH 0.2365 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran rectum_cancer GAP_HIGH 0.2365 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) sulfadiazine malaria GAP_HIGH 0.2365 0.65 sulfapyridine High-priority: Binding assay sulfadiazine→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.65) disopyramide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2365 0.6 orphenadrine High-priority: Binding assay disopyramide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to orphenadrine (Jaccard=0.60) sodium_lauryl_sulfate polycystic_ovary_syndrome GAP_HIGH 0.2365 0.5 orlistat High-priority: Binding assay sodium_lauryl_sulfate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to orlistat (Jaccard=0.50) methohexital atopic_dermatitis GAP_HIGH 0.2365 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in atopic_dermatitis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) glisoxepide systemic_scleroderma GAP_HIGH 0.2364 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in systemic_scleroderma cell model. Expected: similar to zafirlukast (Jaccard=0.50) levomilnacipran liver_cancer GAP_HIGH 0.2363 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) nisoldipine hypertension GAP_HIGH 0.2363 0.6666666666666666 nimodipine High-priority: Binding assay nisoldipine→?; validate in hypertension cell model. Expected: similar to nimodipine (Jaccard=0.67) methohexital psoriasis GAP_HIGH 0.2363 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in psoriasis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) glimepiride vitiligo GAP_HIGH 0.2362 0.46153846153846156 zafirlukast High-priority: Binding assay glimepiride→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.46) methohexital multiple_sclerosis GAP_HIGH 0.2362 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in multiple_sclerosis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) methohexital osteoporosis GAP_HIGH 0.2362 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in osteoporosis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) acetylcysteine focal_segmental_glomerulosclerosis GAP_HIGH 0.2362 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to calcium_acetate (Jaccard=0.44) levomilnacipran peripheral_nervous_system_neoplasm GAP_HIGH 0.2361 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine duodenum_cancer GAP_HIGH 0.2361 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine gallbladder_cancer GAP_HIGH 0.2361 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) clofibrate nephrolithiasis GAP_HIGH 0.2361 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.56) doxycycline chronic_obstructive_pulmonary_disease GAP_HIGH 0.236 0.4666666666666667 tetracycline High-priority: Binding assay doxycycline→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tetracycline (Jaccard=0.47) glisoxepide vitiligo GAP_HIGH 0.2359 0.5 zafirlukast High-priority: Binding assay glisoxepide→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.50) methohexital metabolic_syndrome_x GAP_HIGH 0.2359 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in metabolic_syndrome_x cell model. Expected: similar to fosphenytoin (Jaccard=0.45) amodiaquine creutzfeldt-jakob_disease GAP_HIGH 0.2358 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glisoxepide rheumatoid_arthritis GAP_HIGH 0.2358 0.5 tolazamide High-priority: Binding assay glisoxepide→?; validate in rheumatoid_arthritis cell model. Expected: similar to tolazamide (Jaccard=0.50) levomilnacipran colon_cancer GAP_HIGH 0.2357 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in colon_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran hypertension GAP_HIGH 0.2357 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in hypertension cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran pancreatic_cancer GAP_HIGH 0.2356 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in pancreatic_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran stomach_cancer GAP_HIGH 0.2356 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in stomach_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) carprofen malignant_mesothelioma GAP_HIGH 0.2356 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.64) ribavirin primary_biliary_cirrhosis GAP_HIGH 0.2356 0.5909090909090909 vidarabine High-priority: Binding assay ribavirin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vidarabine (Jaccard=0.59) vitamin_c head_and_neck_cancer GAP_HIGH 0.2356 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) vitamin_c malignant_glioma GAP_HIGH 0.2356 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.33) methadyl_acetate germ_cell_cancer GAP_HIGH 0.2355 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) raloxifene chronic_obstructive_pulmonary_disease GAP_HIGH 0.2355 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to alcaftadine (Jaccard=0.75) levomilnacipran psoriasis GAP_HIGH 0.2355 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in psoriasis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran ulcerative_colitis GAP_HIGH 0.2355 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) methohexital obesity GAP_HIGH 0.2355 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in obesity cell model. Expected: similar to fosphenytoin (Jaccard=0.45) methohexital vascular_cancer GAP_HIGH 0.2355 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in vascular_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.45) penicillamine hematologic_cancer GAP_HIGH 0.2355 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in hematologic_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine narcolepsy GAP_HIGH 0.2355 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in narcolepsy cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene epilepsy_syndrome GAP_HIGH 0.2354 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.75) levomilnacipran multiple_sclerosis GAP_HIGH 0.2354 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in multiple_sclerosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran osteoporosis GAP_HIGH 0.2354 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in osteoporosis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran ovarian_cancer GAP_HIGH 0.2354 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in ovarian_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) ethynodiol germ_cell_cancer GAP_HIGH 0.2354 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in germ_cell_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) methohexital chronic_kidney_failure GAP_HIGH 0.2354 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.42) vitamin_c nephrolithiasis GAP_HIGH 0.2354 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.33) vitamin_c refractive_error GAP_HIGH 0.2354 0.3333333333333333 acetazolamide High-priority: Binding assay vitamin_c→?; validate in refractive_error cell model. Expected: similar to acetazolamide (Jaccard=0.33) levomilnacipran sarcoma GAP_HIGH 0.2353 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine ankylosing_spondylitis GAP_HIGH 0.2353 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) methohexital systemic_scleroderma GAP_HIGH 0.2353 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in systemic_scleroderma cell model. Expected: similar to fosphenytoin (Jaccard=0.45) vitamin_c chronic_kidney_failure GAP_HIGH 0.2352 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in chronic_kidney_failure cell model. Expected: similar to amsacrine (Jaccard=0.33) levomilnacipran systemic_lupus_erythematosus GAP_HIGH 0.2351 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2351 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) clenbuterol hematologic_cancer GAP_HIGH 0.235 0.6 pomalidomide High-priority: Binding assay clenbuterol→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.60) levomilnacipran osteoarthritis GAP_HIGH 0.2349 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in osteoarthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) levomilnacipran skin_cancer GAP_HIGH 0.2349 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in skin_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) methohexital type_2_diabetes_mellitus GAP_HIGH 0.2349 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to fosphenytoin (Jaccard=0.45) levomilnacipran testicular_cancer GAP_HIGH 0.2348 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in testicular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) carprofen crohns_disease GAP_HIGH 0.2348 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.64) butabarbital chronic_kidney_failure GAP_HIGH 0.2348 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.50) methohexital vitiligo GAP_HIGH 0.2348 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in vitiligo cell model. Expected: similar to fosphenytoin (Jaccard=0.45) methadyl_acetate malignant_mesothelioma GAP_HIGH 0.2347 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.75) raloxifene nicotine_dependence GAP_HIGH 0.2347 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.75) levomilnacipran vascular_cancer GAP_HIGH 0.2347 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.71) linaclotide uterine_cancer GAP_HIGH 0.2347 0.3333333333333333 pasireotide High-priority: Binding assay linaclotide→?; validate in uterine_cancer cell model. Expected: similar to pasireotide (Jaccard=0.33) amodiaquine lung_cancer GAP_HIGH 0.2346 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine rectum_cancer GAP_HIGH 0.2346 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) disopyramide systemic_lupus_erythematosus GAP_HIGH 0.2346 0.6 orphenadrine High-priority: Binding assay disopyramide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to orphenadrine (Jaccard=0.60) methohexital rheumatoid_arthritis GAP_HIGH 0.2346 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in rheumatoid_arthritis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) linaclotide sarcoma GAP_HIGH 0.2346 0.3333333333333333 pasireotide High-priority: Binding assay linaclotide→?; validate in sarcoma cell model. Expected: similar to pasireotide (Jaccard=0.33) amodiaquine alzheimers_disease GAP_HIGH 0.2345 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) sulfaphenazole leprosy GAP_HIGH 0.2345 0.55 sulfapyridine High-priority: Binding assay sulfaphenazole→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.55) equilin alcohol_dependence GAP_HIGH 0.2345 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in alcohol_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.33) levomilnacipran uterine_fibroid GAP_HIGH 0.2344 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine amyotrophic_lateral_sclerosis GAP_HIGH 0.2344 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine autistic_disorder GAP_HIGH 0.2344 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine liver_cancer GAP_HIGH 0.2344 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine nicotine_dependence GAP_HIGH 0.2344 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine parkinsons_disease GAP_HIGH 0.2344 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) disopyramide skin_cancer GAP_HIGH 0.2344 0.6 orphenadrine High-priority: Binding assay disopyramide→?; validate in skin_cancer cell model. Expected: similar to orphenadrine (Jaccard=0.60) methohexital psoriatic_arthritis GAP_HIGH 0.2344 0.45454545454545453 fosphenytoin High-priority: Binding assay methohexital→?; validate in psoriatic_arthritis cell model. Expected: similar to fosphenytoin (Jaccard=0.45) trandolapril schizophrenia GAP_HIGH 0.2343 0.7777777777777778 lisinopril High-priority: Binding assay trandolapril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.78) penicillamine creutzfeldt-jakob_disease GAP_HIGH 0.2343 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene breast_cancer GAP_HIGH 0.2341 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.75) raloxifene hypertension GAP_HIGH 0.2341 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.75) carprofen gout GAP_HIGH 0.2341 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen primary_biliary_cirrhosis GAP_HIGH 0.2341 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.64) amodiaquine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2341 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) linaclotide testicular_cancer GAP_HIGH 0.2341 0.3333333333333333 pasireotide High-priority: Binding assay linaclotide→?; validate in testicular_cancer cell model. Expected: similar to pasireotide (Jaccard=0.33) ethynodiol meningioma GAP_HIGH 0.234 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in meningioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) melphalan glaucoma GAP_HIGH 0.234 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=0.64) disopyramide systemic_scleroderma GAP_HIGH 0.234 0.6 orphenadrine High-priority: Binding assay disopyramide→?; validate in systemic_scleroderma cell model. Expected: similar to orphenadrine (Jaccard=0.60) trimethoprim penile_cancer GAP_HIGH 0.234 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in penile_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methohexital membranous_glomerulonephritis GAP_HIGH 0.234 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.42) penicillamine pharynx_cancer GAP_HIGH 0.234 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in pharynx_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) fluocinonide dilated_cardiomyopathy GAP_HIGH 0.2339 0.7692307692307693 rimexolone High-priority: Binding assay fluocinonide→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.77) carprofen coronary_artery_disease GAP_HIGH 0.2339 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen narcolepsy GAP_HIGH 0.2339 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.64) raloxifene multiple_sclerosis GAP_HIGH 0.2338 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.75) raloxifene osteoporosis GAP_HIGH 0.2338 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in osteoporosis cell model. Expected: similar to alcaftadine (Jaccard=0.75) levomilnacipran rheumatoid_arthritis GAP_HIGH 0.2338 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine asthma GAP_HIGH 0.2338 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine atopic_dermatitis GAP_HIGH 0.2338 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine colon_cancer GAP_HIGH 0.2338 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine conduct_disorder GAP_HIGH 0.2338 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine hypertension GAP_HIGH 0.2338 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.61) trimethoprim malignant_mesothelioma GAP_HIGH 0.2338 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in malignant_mesothelioma cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c membranous_glomerulonephritis GAP_HIGH 0.2338 0.3333333333333333 adefovir_dipivoxil High-priority: Binding assay vitamin_c→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.33) melphalan intracranial_aneurysm GAP_HIGH 0.2337 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.64) amodiaquine allergic_rhinitis GAP_HIGH 0.2337 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine stomach_cancer GAP_HIGH 0.2337 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) trifluridine larynx_cancer GAP_HIGH 0.2337 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.43) penicillamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2337 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine epilepsy_syndrome GAP_HIGH 0.2337 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene systemic_lupus_erythematosus GAP_HIGH 0.2336 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to alcaftadine (Jaccard=0.75) levomilnacipran psoriatic_arthritis GAP_HIGH 0.2336 0.7142857142857143 cyclopentolate High-priority: Binding assay levomilnacipran→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.71) amodiaquine endogenous_depression GAP_HIGH 0.2336 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine ulcerative_colitis GAP_HIGH 0.2336 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) clofibrate penile_cancer GAP_HIGH 0.2336 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) amodiaquine osteoporosis GAP_HIGH 0.2335 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine ovarian_cancer GAP_HIGH 0.2335 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine psoriasis GAP_HIGH 0.2335 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine uterine_cancer GAP_HIGH 0.2335 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) ranolazine epilepsy_syndrome GAP_HIGH 0.2335 0.5714285714285714 methocarbamol High-priority: Binding assay ranolazine→?; validate in epilepsy_syndrome cell model. Expected: similar to methocarbamol (Jaccard=0.57) vitamin_c germ_cell_cancer GAP_HIGH 0.2335 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) butabarbital membranous_glomerulonephritis GAP_HIGH 0.2334 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) penicillamine salivary_gland_cancer GAP_HIGH 0.2334 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene skin_cancer GAP_HIGH 0.2333 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in skin_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.75) penicillamine muscle_cancer GAP_HIGH 0.2333 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in muscle_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate mediastinal_cancer GAP_HIGH 0.2332 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate primary_biliary_cirrhosis GAP_HIGH 0.2332 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.75) amodiaquine systemic_lupus_erythematosus GAP_HIGH 0.2332 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide crohns_disease GAP_HIGH 0.2332 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.50) trimethoprim meningioma GAP_HIGH 0.2332 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in meningioma cell model. Expected: similar to pemetrexed (Jaccard=0.50) methadyl_acetate thymus_cancer GAP_HIGH 0.2331 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) amodiaquine metabolic_syndrome_x GAP_HIGH 0.2331 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.61) penicillamine ocular_cancer GAP_HIGH 0.2331 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in ocular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate coronary_artery_disease GAP_HIGH 0.233 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in coronary_artery_disease cell model. Expected: similar to tamoxifen (Jaccard=0.75) ethynodiol gout GAP_HIGH 0.233 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in gout cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) carprofen duodenum_cancer GAP_HIGH 0.233 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) carprofen gallbladder_cancer GAP_HIGH 0.233 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) amodiaquine osteoarthritis GAP_HIGH 0.233 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) penicillamine alzheimers_disease GAP_HIGH 0.233 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in alzheimers_disease cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine parkinsons_disease GAP_HIGH 0.233 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in parkinsons_disease cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene systemic_scleroderma GAP_HIGH 0.2329 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in systemic_scleroderma cell model. Expected: similar to alcaftadine (Jaccard=0.75) melphalan head_and_neck_cancer GAP_HIGH 0.2329 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) melphalan malignant_glioma GAP_HIGH 0.2329 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.64) amodiaquine testicular_cancer GAP_HIGH 0.2329 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine vaginal_cancer GAP_HIGH 0.2329 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine vulva_cancer GAP_HIGH 0.2329 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) penicillamine amyotrophic_lateral_sclerosis GAP_HIGH 0.2329 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine autistic_disorder GAP_HIGH 0.2329 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in autistic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine nicotine_dependence GAP_HIGH 0.2329 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in nicotine_dependence cell model. Expected: similar to l-histidine (Jaccard=0.40) vitamin_c penile_cancer GAP_HIGH 0.2329 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) clobazam malaria GAP_HIGH 0.2328 0.7333333333333333 butabarbital High-priority: Binding assay clobazam→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.73) ribavirin liver_cancer GAP_HIGH 0.2328 0.5909090909090909 vidarabine High-priority: Binding assay ribavirin→?; validate in liver_cancer cell model. Expected: similar to vidarabine (Jaccard=0.59) penicillamine peripheral_nervous_system_neoplasm GAP_HIGH 0.2328 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-histidine (Jaccard=0.40) carprofen creutzfeldt-jakob_disease GAP_HIGH 0.2327 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.64) carprofen sclerosing_cholangitis GAP_HIGH 0.2327 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.64) melphalan refractive_error GAP_HIGH 0.2327 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=0.64) amodiaquine obesity GAP_HIGH 0.2327 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.61) tofisopam focal_segmental_glomerulosclerosis GAP_HIGH 0.2327 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bevantolol (Jaccard=0.55) vitamin_c malignant_mesothelioma GAP_HIGH 0.2327 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.33) amodiaquine systemic_scleroderma GAP_HIGH 0.2326 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.61) acetylcysteine membranous_glomerulonephritis GAP_HIGH 0.2326 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to calcium_acetate (Jaccard=0.44) amodiaquine uterine_fibroid GAP_HIGH 0.2325 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.61) butabarbital multiple_sclerosis GAP_HIGH 0.2325 0.5238095238095238 amodiaquine High-priority: Binding assay butabarbital→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.52) aminoglutethimide gout GAP_HIGH 0.2325 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in gout cell model. Expected: similar to sulfanilamide (Jaccard=0.50) trimethoprim prostate_cancer GAP_HIGH 0.2325 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in prostate_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) penicillamine asthma GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in asthma cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine atopic_dermatitis GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in atopic_dermatitis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine breast_cancer GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in breast_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine colon_cancer GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in colon_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine conduct_disorder GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in conduct_disorder cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine panic_disorder GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in panic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine schizophrenia GAP_HIGH 0.2324 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in schizophrenia cell model. Expected: similar to l-histidine (Jaccard=0.40) trimethoprim mediastinal_cancer GAP_HIGH 0.2323 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in mediastinal_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) penicillamine allergic_rhinitis GAP_HIGH 0.2323 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in allergic_rhinitis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine hypertension GAP_HIGH 0.2323 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in hypertension cell model. Expected: similar to l-histidine (Jaccard=0.40) raloxifene rheumatoid_arthritis GAP_HIGH 0.2322 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in rheumatoid_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.75) carprofen ankylosing_spondylitis GAP_HIGH 0.2322 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.64) amodiaquine restless_legs_syndrome GAP_HIGH 0.2322 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in restless_legs_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.61) trimethoprim thymus_cancer GAP_HIGH 0.2322 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in thymus_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) penicillamine bipolar_disorder GAP_HIGH 0.2322 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in bipolar_disorder cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine endogenous_depression GAP_HIGH 0.2322 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in endogenous_depression cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate duodenum_cancer GAP_HIGH 0.2321 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate gallbladder_cancer GAP_HIGH 0.2321 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate melanoma GAP_HIGH 0.2321 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.75) agomelatine epilepsy_syndrome GAP_HIGH 0.2321 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in epilepsy_syndrome cell model. Expected: similar to tolmetin (Jaccard=0.64) amodiaquine polycystic_ovary_syndrome GAP_HIGH 0.2321 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine type_2_diabetes_mellitus GAP_HIGH 0.2321 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine vitiligo GAP_HIGH 0.2321 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.61) tofisopam glaucoma GAP_HIGH 0.2321 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.55) penicillamine multiple_sclerosis GAP_HIGH 0.2321 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in multiple_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine osteoporosis GAP_HIGH 0.2321 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in osteoporosis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine ovarian_cancer GAP_HIGH 0.2321 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in ovarian_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine uterine_cancer GAP_HIGH 0.2321 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in uterine_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) vitamin_c meningioma GAP_HIGH 0.2321 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.33) raloxifene psoriatic_arthritis GAP_HIGH 0.232 0.75 alcaftadine High-priority: Binding assay raloxifene→?; validate in psoriatic_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.75) carprofen epilepsy_syndrome GAP_HIGH 0.232 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) penicillamine migraine GAP_HIGH 0.232 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in migraine cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine sarcoma GAP_HIGH 0.232 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in sarcoma cell model. Expected: similar to l-histidine (Jaccard=0.40) amodiaquine rheumatoid_arthritis GAP_HIGH 0.2319 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glutethimide ankylosing_spondylitis GAP_HIGH 0.2319 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in ankylosing_spondylitis cell model. Expected: similar to ethotoin (Jaccard=0.60) methadyl_acetate sclerosing_cholangitis GAP_HIGH 0.2318 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.75) ranolazine migraine GAP_HIGH 0.2318 0.5714285714285714 methocarbamol High-priority: Binding assay ranolazine→?; validate in migraine cell model. Expected: similar to methocarbamol (Jaccard=0.57) amodiaquine psoriatic_arthritis GAP_HIGH 0.2316 0.6086956521739131 chlorprothixene High-priority: Binding assay amodiaquine→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) clofibrate hematologic_cancer GAP_HIGH 0.2316 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate narcolepsy GAP_HIGH 0.2316 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.56) penicillamine osteoarthritis GAP_HIGH 0.2316 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in osteoarthritis cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine skin_cancer GAP_HIGH 0.2316 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in skin_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) lisinopril hepatitis_b GAP_HIGH 0.2315 0.7777777777777778 trandolapril High-priority: Binding assay lisinopril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.78) carprofen lung_cancer GAP_HIGH 0.2315 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) deferasirox thymus_cancer GAP_HIGH 0.2315 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in thymus_cancer cell model. Expected: similar to linaclotide (Jaccard=0.50) penicillamine testicular_cancer GAP_HIGH 0.2315 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in testicular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine vaginal_cancer GAP_HIGH 0.2315 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in vaginal_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine vulva_cancer GAP_HIGH 0.2315 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in vulva_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) vitamin_c idiopathic_pulmonary_fibrosis GAP_HIGH 0.2315 0.3333333333333333 trovafloxacin High-priority: Binding assay vitamin_c→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to trovafloxacin (Jaccard=0.33) agomelatine parkinsons_disease GAP_HIGH 0.2314 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in parkinsons_disease cell model. Expected: similar to tolmetin (Jaccard=0.64) carprofen alzheimers_disease GAP_HIGH 0.2314 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen parkinsons_disease GAP_HIGH 0.2314 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in parkinsons_disease cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine esophageal_cancer GAP_HIGH 0.2314 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) ranolazine osteoarthritis GAP_HIGH 0.2314 0.5714285714285714 methocarbamol High-priority: Binding assay ranolazine→?; validate in osteoarthritis cell model. Expected: similar to methocarbamol (Jaccard=0.57) vitamin_c prostate_cancer GAP_HIGH 0.2314 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) agomelatine amyotrophic_lateral_sclerosis GAP_HIGH 0.2313 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tolmetin (Jaccard=0.64) carprofen amyotrophic_lateral_sclerosis GAP_HIGH 0.2313 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen autistic_disorder GAP_HIGH 0.2313 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) carprofen nicotine_dependence GAP_HIGH 0.2313 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.64) penicillamine vascular_cancer GAP_HIGH 0.2313 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in vascular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate thyroid_cancer GAP_HIGH 0.2312 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) trimethoprim melanoma GAP_HIGH 0.2312 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in melanoma cell model. Expected: similar to pemetrexed (Jaccard=0.50) methohexital coronary_artery_disease GAP_HIGH 0.2312 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.42) vitamin_c mediastinal_cancer GAP_HIGH 0.2312 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) vitamin_c primary_biliary_cirrhosis GAP_HIGH 0.2312 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.33) carprofen attention_deficit_hyperactivity_disorder GAP_HIGH 0.2311 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) aminoglutethimide sclerosing_cholangitis GAP_HIGH 0.2311 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) vitamin_c thymus_cancer GAP_HIGH 0.2311 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) ethynodiol chronic_obstructive_pulmonary_disease GAP_HIGH 0.231 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) penicillamine uterine_fibroid GAP_HIGH 0.231 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in uterine_fibroid cell model. Expected: similar to l-histidine (Jaccard=0.40) ramipril schizophrenia GAP_HIGH 0.2309 0.7777777777777778 lisinopril High-priority: Binding assay ramipril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.78) methadyl_acetate pancreatitis GAP_HIGH 0.2309 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in pancreatitis cell model. Expected: similar to tamoxifen (Jaccard=0.75) vitamin_c hematologic_cancer GAP_HIGH 0.2309 0.3333333333333333 valrubicin High-priority: Binding assay vitamin_c→?; validate in hematologic_cancer cell model. Expected: similar to valrubicin (Jaccard=0.33) agomelatine panic_disorder GAP_HIGH 0.2308 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in panic_disorder cell model. Expected: similar to tolmetin (Jaccard=0.64) agomelatine schizophrenia GAP_HIGH 0.2308 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in schizophrenia cell model. Expected: similar to tolmetin (Jaccard=0.64) carprofen asthma GAP_HIGH 0.2308 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.64) carprofen panic_disorder GAP_HIGH 0.2308 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen schizophrenia GAP_HIGH 0.2308 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.64) glutethimide attention_deficit_hyperactivity_disorder GAP_HIGH 0.2308 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ethotoin (Jaccard=0.60) clofibrate melanoma GAP_HIGH 0.2308 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.56) penicillamine restless_legs_syndrome GAP_HIGH 0.2308 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in restless_legs_syndrome cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate muscle_cancer GAP_HIGH 0.2307 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) carprofen colon_cancer GAP_HIGH 0.2307 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen conduct_disorder GAP_HIGH 0.2307 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) diphenidol coronary_artery_disease GAP_HIGH 0.2307 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.62) penicillamine polycystic_ovary_syndrome GAP_HIGH 0.2307 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-histidine (Jaccard=0.40) penicillamine vitiligo GAP_HIGH 0.2307 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in vitiligo cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate lung_cancer GAP_HIGH 0.2306 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in lung_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate rectum_cancer GAP_HIGH 0.2306 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) agomelatine bipolar_disorder GAP_HIGH 0.2306 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in bipolar_disorder cell model. Expected: similar to tolmetin (Jaccard=0.64) carprofen allergic_rhinitis GAP_HIGH 0.2306 0.6363636363636364 melphalan High-priority: Binding assay carprofen→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.64) carprofen bipolar_disorder GAP_HIGH 0.2306 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) ranolazine restless_legs_syndrome GAP_HIGH 0.2306 0.5714285714285714 methocarbamol High-priority: Binding assay ranolazine→?; validate in restless_legs_syndrome cell model. Expected: similar to methocarbamol (Jaccard=0.57) aminoglutethimide ankylosing_spondylitis GAP_HIGH 0.2306 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) butabarbital coronary_artery_disease GAP_HIGH 0.2306 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.50) primidone creutzfeldt-jakob_disease GAP_HIGH 0.2306 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) quinapril coronary_artery_disease GAP_HIGH 0.2306 0.5 moexipril High-priority: Binding assay quinapril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.50) ethynodiol muscle_cancer GAP_HIGH 0.2305 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in muscle_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) agomelatine multiple_sclerosis GAP_HIGH 0.2305 0.6363636363636364 tolmetin High-priority: Binding assay agomelatine→?; validate in multiple_sclerosis cell model. Expected: similar to tolmetin (Jaccard=0.64) carprofen endogenous_depression GAP_HIGH 0.2305 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen psoriasis GAP_HIGH 0.2305 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.64) glutethimide asthma GAP_HIGH 0.2305 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in asthma cell model. Expected: similar to ethotoin (Jaccard=0.60) glutethimide conduct_disorder GAP_HIGH 0.2305 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in conduct_disorder cell model. Expected: similar to ethotoin (Jaccard=0.60) glutethimide panic_disorder GAP_HIGH 0.2305 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in panic_disorder cell model. Expected: similar to ethotoin (Jaccard=0.60) glutethimide schizophrenia GAP_HIGH 0.2305 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in schizophrenia cell model. Expected: similar to ethotoin (Jaccard=0.60) tofisopam chronic_kidney_failure GAP_HIGH 0.2305 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in chronic_kidney_failure cell model. Expected: similar to bevantolol (Jaccard=0.55) amodiaquine malaria GAP_HIGH 0.2305 0.5238095238095238 butabarbital High-priority: Binding assay amodiaquine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.52) trimethoprim pharynx_cancer GAP_HIGH 0.2305 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in pharynx_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) penicillamine rheumatoid_arthritis GAP_HIGH 0.2305 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-histidine (Jaccard=0.40) methadyl_acetate liver_cancer GAP_HIGH 0.2304 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) ethynodiol ocular_cancer GAP_HIGH 0.2304 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in ocular_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) carprofen migraine GAP_HIGH 0.2304 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in migraine cell model. Expected: similar to suprofen (Jaccard=0.64) carprofen multiple_sclerosis GAP_HIGH 0.2304 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) glutethimide atopic_dermatitis GAP_HIGH 0.2304 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in atopic_dermatitis cell model. Expected: similar to ethotoin (Jaccard=0.60) clofibrate creutzfeldt-jakob_disease GAP_HIGH 0.2304 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) trifluridine brain_cancer GAP_HIGH 0.2304 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.43) trifluridine intracranial_aneurysm GAP_HIGH 0.2304 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.43) glutethimide allergic_rhinitis GAP_HIGH 0.2303 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in allergic_rhinitis cell model. Expected: similar to ethotoin (Jaccard=0.60) glutethimide bipolar_disorder GAP_HIGH 0.2303 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in bipolar_disorder cell model. Expected: similar to ethotoin (Jaccard=0.60) trimethoprim thyroid_cancer GAP_HIGH 0.2303 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in thyroid_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methadyl_acetate peripheral_nervous_system_neoplasm GAP_HIGH 0.2302 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate urinary_bladder_cancer GAP_HIGH 0.2302 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) melphalan penile_cancer GAP_HIGH 0.2302 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) glutethimide endogenous_depression GAP_HIGH 0.2302 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in endogenous_depression cell model. Expected: similar to ethotoin (Jaccard=0.60) penicillamine psoriatic_arthritis GAP_HIGH 0.2302 0.4 l-histidine High-priority: Binding assay penicillamine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-histidine (Jaccard=0.40) ethynodiol peripheral_nervous_system_neoplasm GAP_HIGH 0.2301 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) glutethimide multiple_sclerosis GAP_HIGH 0.2301 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in multiple_sclerosis cell model. Expected: similar to ethotoin (Jaccard=0.60) glutethimide osteoporosis GAP_HIGH 0.2301 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in osteoporosis cell model. Expected: similar to ethotoin (Jaccard=0.60) esmolol idiopathic_pulmonary_fibrosis GAP_HIGH 0.2301 0.5384615384615384 sotalol High-priority: Binding assay esmolol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.54) deferasirox sclerosing_cholangitis GAP_HIGH 0.2301 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in sclerosing_cholangitis cell model. Expected: similar to linaclotide (Jaccard=0.50) vitamin_c duodenum_cancer GAP_HIGH 0.2301 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in duodenum_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c gallbladder_cancer GAP_HIGH 0.2301 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in gallbladder_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c melanoma GAP_HIGH 0.2301 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.33) trimethoprim salivary_gland_cancer GAP_HIGH 0.2299 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in salivary_gland_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methadyl_acetate colon_cancer GAP_HIGH 0.2298 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in colon_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) valsartan coronary_artery_disease GAP_HIGH 0.2298 0.5714285714285714 eprosartan High-priority: Binding assay valsartan→?; validate in coronary_artery_disease cell model. Expected: similar to eprosartan (Jaccard=0.57) clofibrate chronic_obstructive_pulmonary_disease GAP_HIGH 0.2298 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate thyroid_cancer GAP_HIGH 0.2298 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) trimethoprim muscle_cancer GAP_HIGH 0.2298 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in muscle_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c sclerosing_cholangitis GAP_HIGH 0.2298 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.33) methadyl_acetate stomach_cancer GAP_HIGH 0.2297 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in stomach_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) trimethoprim rectum_cancer GAP_HIGH 0.2297 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in rectum_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methadyl_acetate ulcerative_colitis GAP_HIGH 0.2296 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in ulcerative_colitis cell model. Expected: similar to tamoxifen (Jaccard=0.75) glutethimide osteoarthritis GAP_HIGH 0.2296 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in osteoarthritis cell model. Expected: similar to ethotoin (Jaccard=0.60) amodiaquine azoospermia GAP_HIGH 0.2296 0.56 chlorpromazine High-priority: Binding assay amodiaquine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.56) esmolol hematologic_cancer GAP_HIGH 0.2296 0.5384615384615384 sotalol High-priority: Binding assay esmolol→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) trimethoprim ocular_cancer GAP_HIGH 0.2296 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in ocular_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methadyl_acetate ovarian_cancer GAP_HIGH 0.2295 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in ovarian_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate uterine_cancer GAP_HIGH 0.2295 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) clofibrate pancreatitis GAP_HIGH 0.2295 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in pancreatitis cell model. Expected: similar to probenecid (Jaccard=0.56) deferasirox thyroid_cancer GAP_HIGH 0.2295 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in thyroid_cancer cell model. Expected: similar to linaclotide (Jaccard=0.50) trifluridine head_and_neck_cancer GAP_HIGH 0.2295 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.43) trifluridine malignant_glioma GAP_HIGH 0.2295 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.43) methadyl_acetate sarcoma GAP_HIGH 0.2294 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.75) quinapril creutzfeldt-jakob_disease GAP_HIGH 0.2294 0.5 moexipril High-priority: Binding assay quinapril→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.50) riboflavin hepatitis_b GAP_HIGH 0.2294 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in hepatitis_b cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) trifluridine kidney_cancer GAP_HIGH 0.2294 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.43) vitamin_c pharynx_cancer GAP_HIGH 0.2294 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in pharynx_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) melphalan meningioma GAP_HIGH 0.2293 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.64) clofibrate muscle_cancer GAP_HIGH 0.2293 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) tofisopam azoospermia GAP_HIGH 0.2293 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in azoospermia cell model. Expected: similar to bevantolol (Jaccard=0.55) primidone alzheimers_disease GAP_HIGH 0.2293 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) trimethoprim peripheral_nervous_system_neoplasm GAP_HIGH 0.2293 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pemetrexed (Jaccard=0.50) trimethoprim urinary_bladder_cancer GAP_HIGH 0.2293 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in urinary_bladder_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) methohexital chronic_obstructive_pulmonary_disease GAP_HIGH 0.2293 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.42) methadyl_acetate systemic_lupus_erythematosus GAP_HIGH 0.2292 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to tamoxifen (Jaccard=0.75) methylprednisolone metabolic_syndrome_x GAP_HIGH 0.2292 0.75 eplerenone High-priority: Binding assay methylprednisolone→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.75) flurandrenolide metabolic_syndrome_x GAP_HIGH 0.2292 0.6666666666666666 eplerenone High-priority: Binding assay flurandrenolide→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.67) clofibrate lung_cancer GAP_HIGH 0.2292 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) deferasirox pancreatitis GAP_HIGH 0.2292 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in pancreatitis cell model. Expected: similar to linaclotide (Jaccard=0.50) primidone amyotrophic_lateral_sclerosis GAP_HIGH 0.2292 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone autistic_disorder GAP_HIGH 0.2292 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone nicotine_dependence GAP_HIGH 0.2292 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone parkinsons_disease GAP_HIGH 0.2292 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.50) vitamin_c thyroid_cancer GAP_HIGH 0.2292 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in thyroid_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) carprofen restless_legs_syndrome GAP_HIGH 0.2291 0.6363636363636364 suprofen High-priority: Binding assay carprofen→?; validate in restless_legs_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) clofibrate alzheimers_disease GAP_HIGH 0.2291 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate liver_cancer GAP_HIGH 0.2291 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) clofibrate parkinsons_disease GAP_HIGH 0.2291 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) tofisopam membranous_glomerulonephritis GAP_HIGH 0.2291 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bevantolol (Jaccard=0.55) aminoglutethimide colon_cancer GAP_HIGH 0.2291 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.50) vitamin_c chronic_obstructive_pulmonary_disease GAP_HIGH 0.2291 0.3333333333333333 trovafloxacin High-priority: Binding assay vitamin_c→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to trovafloxacin (Jaccard=0.33) vitamin_c epilepsy_syndrome GAP_HIGH 0.2291 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in epilepsy_syndrome cell model. Expected: similar to amsacrine (Jaccard=0.33) methadyl_acetate skin_cancer GAP_HIGH 0.229 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in skin_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) clofibrate amyotrophic_lateral_sclerosis GAP_HIGH 0.229 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate autistic_disorder GAP_HIGH 0.229 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate nicotine_dependence GAP_HIGH 0.229 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.56) methadyl_acetate vaginal_cancer GAP_HIGH 0.2289 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methadyl_acetate vulva_cancer GAP_HIGH 0.2289 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) ethynodiol skin_cancer GAP_HIGH 0.2289 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in skin_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) clofibrate urinary_bladder_cancer GAP_HIGH 0.2289 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) aminoglutethimide psoriasis GAP_HIGH 0.2289 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) aminoglutethimide ulcerative_colitis GAP_HIGH 0.2289 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) butabarbital ankylosing_spondylitis GAP_HIGH 0.2289 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) primidone attention_deficit_hyperactivity_disorder GAP_HIGH 0.2289 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) vitamin_c pancreatitis GAP_HIGH 0.2289 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.33) methadyl_acetate vascular_cancer GAP_HIGH 0.2288 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in vascular_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.75) methylprednisolone obesity GAP_HIGH 0.2288 0.75 eplerenone High-priority: Binding assay methylprednisolone→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.75) ethynodiol osteoarthritis GAP_HIGH 0.2288 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in osteoarthritis cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) flurandrenolide obesity GAP_HIGH 0.2288 0.6666666666666666 eplerenone High-priority: Binding assay flurandrenolide→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.67) procarbazine celiac_disease GAP_HIGH 0.2288 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.64) diphenidol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2288 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.62) quinacrine focal_segmental_glomerulosclerosis GAP_HIGH 0.2288 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) clofibrate attention_deficit_hyperactivity_disorder GAP_HIGH 0.2288 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) aminoglutethimide osteoporosis GAP_HIGH 0.2288 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in osteoporosis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) trimethoprim stomach_cancer GAP_HIGH 0.2288 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in stomach_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c salivary_gland_cancer GAP_HIGH 0.2288 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in salivary_gland_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) butabarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.2287 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.50) primidone panic_disorder GAP_HIGH 0.2287 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone schizophrenia GAP_HIGH 0.2287 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.50) vitamin_c muscle_cancer GAP_HIGH 0.2287 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in muscle_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) methadyl_acetate systemic_scleroderma GAP_HIGH 0.2286 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in systemic_scleroderma cell model. Expected: similar to tamoxifen (Jaccard=0.75) aminoglutethimide systemic_lupus_erythematosus GAP_HIGH 0.2286 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sulfanilamide (Jaccard=0.50) primidone asthma GAP_HIGH 0.2286 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone atopic_dermatitis GAP_HIGH 0.2286 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone conduct_disorder GAP_HIGH 0.2286 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) trimethoprim ulcerative_colitis GAP_HIGH 0.2286 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in ulcerative_colitis cell model. Expected: similar to pemetrexed (Jaccard=0.50) trimethoprim uterine_cancer GAP_HIGH 0.2286 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in uterine_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) remifentanil malaria GAP_HIGH 0.2286 0.45454545454545453 methylphenobarbital High-priority: Binding assay remifentanil→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.45) benzthiazide vulva_cancer GAP_HIGH 0.2286 0.42857142857142855 hydrochlorothiazide High-priority: Binding assay benzthiazide→?; validate in vulva_cancer cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.43) vitamin_c lung_cancer GAP_HIGH 0.2286 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in lung_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c rectum_cancer GAP_HIGH 0.2286 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in rectum_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) methadyl_acetate uterine_fibroid GAP_HIGH 0.2285 0.75 tamoxifen High-priority: Binding assay methadyl_acetate→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.75) glutethimide rheumatoid_arthritis GAP_HIGH 0.2285 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in rheumatoid_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.60) clofibrate asthma GAP_HIGH 0.2285 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate conduct_disorder GAP_HIGH 0.2285 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate panic_disorder GAP_HIGH 0.2285 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate schizophrenia GAP_HIGH 0.2285 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.56) primidone allergic_rhinitis GAP_HIGH 0.2285 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone bipolar_disorder GAP_HIGH 0.2285 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.50) trimethoprim ovarian_cancer GAP_HIGH 0.2285 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in ovarian_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) trimethoprim sarcoma GAP_HIGH 0.2285 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in sarcoma cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c ocular_cancer GAP_HIGH 0.2285 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in ocular_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) methyldopa hypertension GAP_HIGH 0.2284 0.9375 carbidopa High-priority: Binding assay methyldopa→?; validate in hypertension cell model. Expected: similar to carbidopa (Jaccard=0.94) clocortolone type_2_diabetes_mellitus GAP_HIGH 0.2284 0.8333333333333334 rimexolone High-priority: Binding assay clocortolone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.83) difluprednate type_2_diabetes_mellitus GAP_HIGH 0.2284 0.8333333333333334 rimexolone High-priority: Binding assay difluprednate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.83) doxylamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2284 0.6666666666666666 orphenadrine High-priority: Binding assay doxylamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to orphenadrine (Jaccard=0.67) clofibrate atopic_dermatitis GAP_HIGH 0.2284 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate breast_cancer GAP_HIGH 0.2284 0.5555555555555556 phenmetrazine High-priority: Binding assay clofibrate→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.56) clofibrate hypertension GAP_HIGH 0.2284 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate stomach_cancer GAP_HIGH 0.2284 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) primidone endogenous_depression GAP_HIGH 0.2284 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.50) vitamin_c alzheimers_disease GAP_HIGH 0.2284 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in alzheimers_disease cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c autistic_disorder GAP_HIGH 0.2284 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in autistic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c liver_cancer GAP_HIGH 0.2284 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in liver_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c nicotine_dependence GAP_HIGH 0.2284 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in nicotine_dependence cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c parkinsons_disease GAP_HIGH 0.2284 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in parkinsons_disease cell model. Expected: similar to amsacrine (Jaccard=0.33) methylprednisolone type_2_diabetes_mellitus GAP_HIGH 0.2283 0.75 eplerenone High-priority: Binding assay methylprednisolone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.75) flurandrenolide type_2_diabetes_mellitus GAP_HIGH 0.2283 0.6666666666666666 eplerenone High-priority: Binding assay flurandrenolide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.67) difenoxin chronic_kidney_failure GAP_HIGH 0.2283 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.62) glutethimide psoriatic_arthritis GAP_HIGH 0.2283 0.6 ethotoin High-priority: Binding assay glutethimide→?; validate in psoriatic_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.60) clofibrate allergic_rhinitis GAP_HIGH 0.2283 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) clofibrate bipolar_disorder GAP_HIGH 0.2283 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) aminoglutethimide osteoarthritis GAP_HIGH 0.2283 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in osteoarthritis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) glimepiride osteoporosis GAP_HIGH 0.2283 0.42857142857142855 chlorpropamide High-priority: Binding assay glimepiride→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.43) clofibrate endogenous_depression GAP_HIGH 0.2282 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.56) benzthiazide uterine_fibroid GAP_HIGH 0.2282 0.42857142857142855 hydrochlorothiazide High-priority: Binding assay benzthiazide→?; validate in uterine_fibroid cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.43) vitamin_c peripheral_nervous_system_neoplasm GAP_HIGH 0.2282 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to daunorubicin (Jaccard=0.33) clofibrate multiple_sclerosis GAP_HIGH 0.2281 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) deferasirox stomach_cancer GAP_HIGH 0.2281 0.5 linaclotide High-priority: Binding assay deferasirox→?; validate in stomach_cancer cell model. Expected: similar to linaclotide (Jaccard=0.50) quinapril alzheimers_disease GAP_HIGH 0.2281 0.5 moexipril High-priority: Binding assay quinapril→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.50) quinapril parkinsons_disease GAP_HIGH 0.2281 0.5 moexipril High-priority: Binding assay quinapril→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.50) trimethoprim skin_cancer GAP_HIGH 0.2281 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in skin_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) trifluridine acquired_immunodeficiency_syndrome GAP_HIGH 0.2281 0.38461538461538464 floxuridine High-priority: Binding assay trifluridine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to floxuridine (Jaccard=0.38) vitamin_c attention_deficit_hyperactivity_disorder GAP_HIGH 0.2281 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to amsacrine (Jaccard=0.33) clofibrate sarcoma GAP_HIGH 0.228 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in sarcoma cell model. Expected: similar to probenecid (Jaccard=0.56) quinapril amyotrophic_lateral_sclerosis GAP_HIGH 0.228 0.5 moexipril High-priority: Binding assay quinapril→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.50) trimethoprim vaginal_cancer GAP_HIGH 0.228 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in vaginal_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) trimethoprim vulva_cancer GAP_HIGH 0.228 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in vulva_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) ethynodiol vitiligo GAP_HIGH 0.2279 0.6666666666666666 megestrol_acetate High-priority: Binding assay ethynodiol→?; validate in vitiligo cell model. Expected: similar to megestrol_acetate (Jaccard=0.67) valsartan epilepsy_syndrome GAP_HIGH 0.2279 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in epilepsy_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.57) aminoglutethimide systemic_scleroderma GAP_HIGH 0.2279 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in systemic_scleroderma cell model. Expected: similar to sulfanilamide (Jaccard=0.50) primidone metabolic_syndrome_x GAP_HIGH 0.2279 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in metabolic_syndrome_x cell model. Expected: similar to ezetimibe (Jaccard=0.50) trimethoprim testicular_cancer GAP_HIGH 0.2279 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in testicular_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c panic_disorder GAP_HIGH 0.2279 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in panic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.33) esmolol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2278 0.5384615384615384 sotalol High-priority: Binding assay esmolol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.54) trimethoprim vascular_cancer GAP_HIGH 0.2278 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in vascular_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c asthma GAP_HIGH 0.2278 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in asthma cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c breast_cancer GAP_HIGH 0.2278 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in breast_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c colon_cancer GAP_HIGH 0.2278 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in colon_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c conduct_disorder GAP_HIGH 0.2278 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in conduct_disorder cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c schizophrenia GAP_HIGH 0.2278 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in schizophrenia cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c allergic_rhinitis GAP_HIGH 0.2277 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in allergic_rhinitis cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c bipolar_disorder GAP_HIGH 0.2277 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in bipolar_disorder cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c hypertension GAP_HIGH 0.2277 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in hypertension cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c stomach_cancer GAP_HIGH 0.2277 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in stomach_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) benzthiazide rheumatoid_arthritis GAP_HIGH 0.2276 0.42857142857142855 hydrochlorothiazide High-priority: Binding assay benzthiazide→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.43) vitamin_c endogenous_depression GAP_HIGH 0.2276 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in endogenous_depression cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c pancreatic_cancer GAP_HIGH 0.2276 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in pancreatic_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c ulcerative_colitis GAP_HIGH 0.2276 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in ulcerative_colitis cell model. Expected: similar to daunorubicin (Jaccard=0.33) clofibrate testicular_cancer GAP_HIGH 0.2275 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) clofibrate vaginal_cancer GAP_HIGH 0.2275 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) primidone obesity GAP_HIGH 0.2275 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in obesity cell model. Expected: similar to ezetimibe (Jaccard=0.50) trimethoprim uterine_fibroid GAP_HIGH 0.2275 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in uterine_fibroid cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c multiple_sclerosis GAP_HIGH 0.2275 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in multiple_sclerosis cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c ovarian_cancer GAP_HIGH 0.2275 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in ovarian_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c uterine_cancer GAP_HIGH 0.2275 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in uterine_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) diphenidol stomach_cancer GAP_HIGH 0.2274 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) clofibrate vascular_cancer GAP_HIGH 0.2274 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) butabarbital asthma GAP_HIGH 0.2274 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.50) butabarbital atopic_dermatitis GAP_HIGH 0.2274 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) methohexital systemic_lupus_erythematosus GAP_HIGH 0.2274 0.4230769230769231 chlorprothixene High-priority: Binding assay methohexital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.42) vitamin_c migraine GAP_HIGH 0.2274 0.3333333333333333 acetazolamide High-priority: Binding assay vitamin_c→?; validate in migraine cell model. Expected: similar to acetazolamide (Jaccard=0.33) vitamin_c sarcoma GAP_HIGH 0.2274 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in sarcoma cell model. Expected: similar to daunorubicin (Jaccard=0.33) diphenidol pancreatic_cancer GAP_HIGH 0.2273 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) regadenoson malignant_mesothelioma GAP_HIGH 0.2272 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.53) aminoglutethimide rheumatoid_arthritis GAP_HIGH 0.2272 0.5 sulfanilamide High-priority: Binding assay aminoglutethimide→?; validate in rheumatoid_arthritis cell model. Expected: similar to sulfanilamide (Jaccard=0.50) trimethoprim polycystic_ovary_syndrome GAP_HIGH 0.2272 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pemetrexed (Jaccard=0.50) trimethoprim vitiligo GAP_HIGH 0.2272 0.5 pemetrexed High-priority: Binding assay trimethoprim→?; validate in vitiligo cell model. Expected: similar to pemetrexed (Jaccard=0.50) vitamin_c systemic_lupus_erythematosus GAP_HIGH 0.2272 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vincristine (Jaccard=0.33) difenoxin azoospermia GAP_HIGH 0.2271 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.62) clofibrate uterine_fibroid GAP_HIGH 0.2271 0.5555555555555556 probenecid High-priority: Binding assay clofibrate→?; validate in uterine_fibroid cell model. Expected: similar to probenecid (Jaccard=0.56) butabarbital osteoporosis GAP_HIGH 0.2271 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) butabarbital psoriasis GAP_HIGH 0.2271 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) quinapril multiple_sclerosis GAP_HIGH 0.2271 0.5 moexipril High-priority: Binding assay quinapril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.50) vitamin_c metabolic_syndrome_x GAP_HIGH 0.2271 0.3333333333333333 prazosin High-priority: Binding assay vitamin_c→?; validate in metabolic_syndrome_x cell model. Expected: similar to prazosin (Jaccard=0.33) vitamin_c osteoarthritis GAP_HIGH 0.227 0.3333333333333333 amsacrine High-priority: Binding assay vitamin_c→?; validate in osteoarthritis cell model. Expected: similar to amsacrine (Jaccard=0.33) vitamin_c skin_cancer GAP_HIGH 0.227 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in skin_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.33) sodium_tetradecyl_sulfate glaucoma GAP_HIGH 0.227 0.3 sodium_lauryl_sulfate High-priority: Binding assay sodium_tetradecyl_sulfate→?; validate in glaucoma cell model. Expected: similar to sodium_lauryl_sulfate (Jaccard=0.30) diphenidol systemic_lupus_erythematosus GAP_HIGH 0.2269 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to bepridil (Jaccard=0.62) primidone polycystic_ovary_syndrome GAP_HIGH 0.2269 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.50) primidone type_2_diabetes_mellitus GAP_HIGH 0.2269 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to ezetimibe (Jaccard=0.50) doxylamine psoriasis GAP_HIGH 0.2268 0.6666666666666666 orphenadrine High-priority: Binding assay doxylamine→?; validate in psoriasis cell model. Expected: similar to orphenadrine (Jaccard=0.67) clofibrate restless_legs_syndrome GAP_HIGH 0.2268 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in restless_legs_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.56) tofisopam prostate_cancer GAP_HIGH 0.2268 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in prostate_cancer cell model. Expected: similar to bevantolol (Jaccard=0.55) butabarbital systemic_lupus_erythematosus GAP_HIGH 0.2268 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.50) diphenidol skin_cancer GAP_HIGH 0.2267 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) clofibrate vitiligo GAP_HIGH 0.2267 0.5555555555555556 tranylcypromine High-priority: Binding assay clofibrate→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.56) butabarbital metabolic_syndrome_x GAP_HIGH 0.2267 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.50) primidone rheumatoid_arthritis GAP_HIGH 0.2267 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in rheumatoid_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.50) vitamin_c obesity GAP_HIGH 0.2267 0.3333333333333333 metformin High-priority: Binding assay vitamin_c→?; validate in obesity cell model. Expected: similar to metformin (Jaccard=0.33) diphenidol testicular_cancer GAP_HIGH 0.2266 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) quinacrine chronic_kidney_failure GAP_HIGH 0.2266 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.61) valsartan schizophrenia GAP_HIGH 0.2266 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in schizophrenia cell model. Expected: similar to telmisartan (Jaccard=0.57) amodiaquine narcolepsy GAP_HIGH 0.2266 0.56 chlorpromazine High-priority: Binding assay amodiaquine→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.56) acetylcysteine hypertension GAP_HIGH 0.2266 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in hypertension cell model. Expected: similar to calcium_acetate (Jaccard=0.44) vitamin_c systemic_scleroderma GAP_HIGH 0.2266 0.3333333333333333 trovafloxacin High-priority: Binding assay vitamin_c→?; validate in systemic_scleroderma cell model. Expected: similar to trovafloxacin (Jaccard=0.33) amiloride pagets_disease_of_bone GAP_HIGH 0.2266 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) diphenidol vascular_cancer GAP_HIGH 0.2265 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) dipivefrin hematologic_cancer GAP_HIGH 0.2265 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in hematologic_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.60) valsartan bipolar_disorder GAP_HIGH 0.2265 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in bipolar_disorder cell model. Expected: similar to telmisartan (Jaccard=0.57) dextropropoxyphene focal_segmental_glomerulosclerosis GAP_HIGH 0.2265 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.40) valsartan ulcerative_colitis GAP_HIGH 0.2264 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in ulcerative_colitis cell model. Expected: similar to telmisartan (Jaccard=0.57) esmolol atopic_dermatitis GAP_HIGH 0.2264 0.5384615384615384 sotalol High-priority: Binding assay esmolol→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.54) esmolol breast_cancer GAP_HIGH 0.2264 0.5384615384615384 sotalol High-priority: Binding assay esmolol→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) glipizide idiopathic_pulmonary_fibrosis GAP_HIGH 0.2264 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.54) primidone psoriatic_arthritis GAP_HIGH 0.2264 0.5 ezetimibe High-priority: Binding assay primidone→?; validate in psoriatic_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.50) doxylamine skin_cancer GAP_HIGH 0.2263 0.6666666666666666 orphenadrine High-priority: Binding assay doxylamine→?; validate in skin_cancer cell model. Expected: similar to orphenadrine (Jaccard=0.67) procarbazine malignant_mesothelioma GAP_HIGH 0.2263 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.64) diphenidol systemic_scleroderma GAP_HIGH 0.2263 0.625 bepridil High-priority: Binding assay diphenidol→?; validate in systemic_scleroderma cell model. Expected: similar to bepridil (Jaccard=0.62) valsartan multiple_sclerosis GAP_HIGH 0.2263 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in multiple_sclerosis cell model. Expected: similar to telmisartan (Jaccard=0.57) valsartan psoriasis GAP_HIGH 0.2263 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in psoriasis cell model. Expected: similar to telmisartan (Jaccard=0.57) tofisopam narcolepsy GAP_HIGH 0.2263 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in narcolepsy cell model. Expected: similar to bevantolol (Jaccard=0.55) butabarbital obesity GAP_HIGH 0.2263 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.50) butabarbital systemic_scleroderma GAP_HIGH 0.2262 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.50) vitamin_c restless_legs_syndrome GAP_HIGH 0.2262 0.3333333333333333 acetazolamide High-priority: Binding assay vitamin_c→?; validate in restless_legs_syndrome cell model. Expected: similar to acetazolamide (Jaccard=0.33) acetylcysteine systemic_lupus_erythematosus GAP_HIGH 0.2261 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to calcium_acetate (Jaccard=0.44) vitamin_c polycystic_ovary_syndrome GAP_HIGH 0.2261 0.3333333333333333 daunorubicin High-priority: Binding assay vitamin_c→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to daunorubicin (Jaccard=0.33) vitamin_c type_2_diabetes_mellitus GAP_HIGH 0.2261 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to vincristine (Jaccard=0.33) vitamin_c vitiligo GAP_HIGH 0.2261 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in vitiligo cell model. Expected: similar to vincristine (Jaccard=0.33) moexipril hypertension GAP_HIGH 0.226 0.6 cilazapril High-priority: Binding assay moexipril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.60) valsartan systemic_lupus_erythematosus GAP_HIGH 0.226 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to telmisartan (Jaccard=0.57) aminoglutethimide nephrolithiasis GAP_HIGH 0.226 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.45) acetylcysteine metabolic_syndrome_x GAP_HIGH 0.226 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in metabolic_syndrome_x cell model. Expected: similar to calcium_acetate (Jaccard=0.44) vitamin_c rheumatoid_arthritis GAP_HIGH 0.2259 0.3333333333333333 vincristine High-priority: Binding assay vitamin_c→?; validate in rheumatoid_arthritis cell model. Expected: similar to vincristine (Jaccard=0.33) difenoxin malignant_mesothelioma GAP_HIGH 0.2258 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.62) cladribine hematologic_cancer GAP_HIGH 0.2258 0.6 tenofovir High-priority: Binding assay cladribine→?; validate in hematologic_cancer cell model. Expected: similar to tenofovir (Jaccard=0.60) valsartan osteoarthritis GAP_HIGH 0.2258 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in osteoarthritis cell model. Expected: similar to telmisartan (Jaccard=0.57) valsartan skin_cancer GAP_HIGH 0.2258 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in skin_cancer cell model. Expected: similar to telmisartan (Jaccard=0.57) quinapril restless_legs_syndrome GAP_HIGH 0.2258 0.5 moexipril High-priority: Binding assay quinapril→?; validate in restless_legs_syndrome cell model. Expected: similar to moexipril (Jaccard=0.50) thalidomide refractive_error GAP_HIGH 0.2257 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.75) regadenoson mediastinal_cancer GAP_HIGH 0.2257 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.53) butabarbital type_2_diabetes_mellitus GAP_HIGH 0.2257 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.50) butabarbital vitiligo GAP_HIGH 0.2257 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.50) regadenoson thymus_cancer GAP_HIGH 0.2256 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.53) acetylcysteine obesity GAP_HIGH 0.2256 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in obesity cell model. Expected: similar to calcium_acetate (Jaccard=0.44) vitamin_c psoriatic_arthritis GAP_HIGH 0.2256 0.3333333333333333 metformin High-priority: Binding assay vitamin_c→?; validate in psoriatic_arthritis cell model. Expected: similar to metformin (Jaccard=0.33) l-cystine glaucoma GAP_HIGH 0.2256 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.32) melphalan peripheral_nervous_system_neoplasm GAP_HIGH 0.2255 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=0.64) butabarbital rheumatoid_arthritis GAP_HIGH 0.2255 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) procarbazine crohns_disease GAP_HIGH 0.2254 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.64) valsartan systemic_scleroderma GAP_HIGH 0.2254 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in systemic_scleroderma cell model. Expected: similar to telmisartan (Jaccard=0.57) methocarbamol focal_segmental_glomerulosclerosis GAP_HIGH 0.2254 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propranolol (Jaccard=0.50) doxylamine vitiligo GAP_HIGH 0.2253 0.6666666666666666 orphenadrine High-priority: Binding assay doxylamine→?; validate in vitiligo cell model. Expected: similar to orphenadrine (Jaccard=0.67) quinacrine membranous_glomerulonephritis GAP_HIGH 0.2252 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) phenmetrazine atherosclerosis GAP_HIGH 0.2252 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.56) propofol epilepsy_syndrome GAP_HIGH 0.2252 0.5333333333333333 butabarbital High-priority: Binding assay propofol→?; validate in epilepsy_syndrome cell model. Expected: similar to butabarbital (Jaccard=0.53) butabarbital psoriatic_arthritis GAP_HIGH 0.2252 0.5 chlorprothixene High-priority: Binding assay butabarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.50) pasireotide atherosclerosis GAP_HIGH 0.2252 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in atherosclerosis cell model. Expected: similar to deferasirox (Jaccard=0.33) acetylcysteine restless_legs_syndrome GAP_HIGH 0.2251 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in restless_legs_syndrome cell model. Expected: similar to calcium_acetate (Jaccard=0.44) norelgestromin vascular_cancer GAP_HIGH 0.225 0.625 trilostane High-priority: Binding assay norelgestromin→?; validate in vascular_cancer cell model. Expected: similar to trilostane (Jaccard=0.62) valsartan restless_legs_syndrome GAP_HIGH 0.225 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in restless_legs_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.57) entecavir osteoporosis GAP_HIGH 0.225 0.47368421052631576 vidarabine High-priority: Binding assay entecavir→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.47) acetylcysteine type_2_diabetes_mellitus GAP_HIGH 0.225 0.4444444444444444 calcium_acetate High-priority: Binding assay acetylcysteine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to calcium_acetate (Jaccard=0.44) trifluridine gout GAP_HIGH 0.225 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.43) vitamin_c bone_cancer GAP_HIGH 0.225 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) valsartan vitiligo GAP_HIGH 0.2249 0.5714285714285714 telmisartan High-priority: Binding assay valsartan→?; validate in vitiligo cell model. Expected: similar to telmisartan (Jaccard=0.57) procarbazine primary_biliary_cirrhosis GAP_HIGH 0.2248 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.64) melphalan ovarian_cancer GAP_HIGH 0.2247 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) procarbazine gout GAP_HIGH 0.2247 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.64) l-cysteine glaucoma GAP_HIGH 0.2247 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.62) methocarbamol glaucoma GAP_HIGH 0.2247 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in glaucoma cell model. Expected: similar to propranolol (Jaccard=0.50) methamphetamine obesity GAP_HIGH 0.2246 0.8 dextroamphetamine High-priority: Binding assay methamphetamine→?; validate in obesity cell model. Expected: similar to dextroamphetamine (Jaccard=0.80) regadenoson melanoma GAP_HIGH 0.2246 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.53) spirapril dilated_cardiomyopathy GAP_HIGH 0.2246 0.375 trandolapril High-priority: Binding assay spirapril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.38) procarbazine coronary_artery_disease GAP_HIGH 0.2245 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine narcolepsy GAP_HIGH 0.2245 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.64) difenoxin prostate_cancer GAP_HIGH 0.2245 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) amodiaquine pancreatitis GAP_HIGH 0.2245 0.56 chlorpromazine High-priority: Binding assay amodiaquine→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.56) tofisopam chronic_obstructive_pulmonary_disease GAP_HIGH 0.2245 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bevantolol (Jaccard=0.55) entecavir osteoarthritis GAP_HIGH 0.2245 0.47368421052631576 vidarabine High-priority: Binding assay entecavir→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.47) oxazepam alcohol_dependence GAP_HIGH 0.2244 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.67) dextropropoxyphene chronic_kidney_failure GAP_HIGH 0.2244 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in chronic_kidney_failure cell model. Expected: similar to propiomazine (Jaccard=0.40) melphalan metabolic_syndrome_x GAP_HIGH 0.2243 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in metabolic_syndrome_x cell model. Expected: similar to procarbazine (Jaccard=0.64) difenoxin mediastinal_cancer GAP_HIGH 0.2243 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) regadenoson sclerosing_cholangitis GAP_HIGH 0.2243 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in sclerosing_cholangitis cell model. Expected: similar to entecavir (Jaccard=0.53) difenoxin thymus_cancer GAP_HIGH 0.2242 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) difenoxin coronary_artery_disease GAP_HIGH 0.2241 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.62) dipivefrin alzheimers_disease GAP_HIGH 0.2241 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in alzheimers_disease cell model. Expected: similar to orciprenaline (Jaccard=0.60) glipizide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2241 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.54) butabarbital azoospermia GAP_HIGH 0.2241 0.4583333333333333 chlorpromazine High-priority: Binding assay butabarbital→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.46) difenoxin hematologic_cancer GAP_HIGH 0.224 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) dipivefrin amyotrophic_lateral_sclerosis GAP_HIGH 0.224 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to orciprenaline (Jaccard=0.60) dipivefrin parkinsons_disease GAP_HIGH 0.224 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in parkinsons_disease cell model. Expected: similar to orciprenaline (Jaccard=0.60) melphalan obesity GAP_HIGH 0.2239 0.6363636363636364 procarbazine High-priority: Binding assay melphalan→?; validate in obesity cell model. Expected: similar to procarbazine (Jaccard=0.64) tofisopam alzheimers_disease GAP_HIGH 0.2238 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in alzheimers_disease cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam parkinsons_disease GAP_HIGH 0.2238 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in parkinsons_disease cell model. Expected: similar to bevantolol (Jaccard=0.55) procarbazine duodenum_cancer GAP_HIGH 0.2237 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) procarbazine gallbladder_cancer GAP_HIGH 0.2237 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) dapsone malaria GAP_HIGH 0.2236 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in malaria cell model. Expected: similar to sulfamethizole (Jaccard=0.62) stanozolol alopecia_areata GAP_HIGH 0.2236 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in alopecia_areata cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) tofisopam urinary_bladder_cancer GAP_HIGH 0.2236 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in urinary_bladder_cancer cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam attention_deficit_hyperactivity_disorder GAP_HIGH 0.2235 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bevantolol (Jaccard=0.55) methocarbamol refractive_error GAP_HIGH 0.2235 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.50) procarbazine sclerosing_cholangitis GAP_HIGH 0.2234 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.64) dipivefrin breast_cancer GAP_HIGH 0.2234 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in breast_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.60) regadenoson pancreatitis GAP_HIGH 0.2234 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.53) aminoglutethimide penile_cancer GAP_HIGH 0.2234 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) emtricitabine vitiligo GAP_HIGH 0.2234 0.4 stavudine High-priority: Binding assay emtricitabine→?; validate in vitiligo cell model. Expected: similar to stavudine (Jaccard=0.40) procarbazine creutzfeldt-jakob_disease GAP_HIGH 0.2233 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.64) cyproterone_acetate metabolic_syndrome_x GAP_HIGH 0.2232 0.625 eplerenone High-priority: Binding assay cyproterone_acetate→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.62) difenoxin melanoma GAP_HIGH 0.2232 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.62) cyproheptadine refractive_error GAP_HIGH 0.2232 0.6 bimatoprost High-priority: Binding assay cyproheptadine→?; validate in refractive_error cell model. Expected: similar to bimatoprost (Jaccard=0.60) tofisopam asthma GAP_HIGH 0.2232 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in asthma cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam panic_disorder GAP_HIGH 0.2232 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in panic_disorder cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam schizophrenia GAP_HIGH 0.2232 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in schizophrenia cell model. Expected: similar to bevantolol (Jaccard=0.55) methocarbamol chronic_kidney_failure GAP_HIGH 0.2232 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in chronic_kidney_failure cell model. Expected: similar to propranolol (Jaccard=0.50) entecavir psoriatic_arthritis GAP_HIGH 0.2232 0.47368421052631576 vidarabine High-priority: Binding assay entecavir→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.47) dextropropoxyphene azoospermia GAP_HIGH 0.2232 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in azoospermia cell model. Expected: similar to propiomazine (Jaccard=0.40) amobarbital barretts_esophagus GAP_LOW 0.2232 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs barretts_esophagus targets. Cross-check amobarbital pharmacophore against barretts_esophagus pathway. dipivefrin ovarian_cancer GAP_HIGH 0.2231 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in ovarian_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.60) tofisopam atopic_dermatitis GAP_HIGH 0.2231 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in atopic_dermatitis cell model. Expected: similar to bevantolol (Jaccard=0.55) regadenoson lung_cancer GAP_HIGH 0.2231 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in lung_cancer cell model. Expected: similar to entecavir (Jaccard=0.53) regadenoson rectum_cancer GAP_HIGH 0.2231 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in rectum_cancer cell model. Expected: similar to entecavir (Jaccard=0.53) fluocinonide atopic_dermatitis GAP_HIGH 0.223 0.8333333333333334 beclomethasone High-priority: Binding assay fluocinonide→?; validate in atopic_dermatitis cell model. Expected: similar to beclomethasone (Jaccard=0.83) nicardipine coronary_artery_disease GAP_HIGH 0.223 0.5 lercanidipine High-priority: Binding assay nicardipine→?; validate in coronary_artery_disease cell model. Expected: similar to lercanidipine (Jaccard=0.50) dextropropoxyphene membranous_glomerulonephritis GAP_HIGH 0.223 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.40) procarbazine ankylosing_spondylitis GAP_HIGH 0.2229 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.64) cyproterone_acetate obesity GAP_HIGH 0.2229 0.625 eplerenone High-priority: Binding assay cyproterone_acetate→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.62) nandrolone_phenpropionate alopecia_areata GAP_HIGH 0.2229 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in alopecia_areata cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol alopecia_areata GAP_HIGH 0.2229 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in alopecia_areata cell model. Expected: similar to ethynodiol (Jaccard=0.56) tofisopam endogenous_depression GAP_HIGH 0.2229 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in endogenous_depression cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam osteoporosis GAP_HIGH 0.2228 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in osteoporosis cell model. Expected: similar to bevantolol (Jaccard=0.55) procarbazine epilepsy_syndrome GAP_HIGH 0.2227 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) glipizide atopic_dermatitis GAP_HIGH 0.2227 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenobarbital epilepsy_syndrome GAP_HIGH 0.2227 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in epilepsy_syndrome cell model. Expected: similar to ketazolam (Jaccard=0.54) riboflavin membranous_glomerulonephritis GAP_HIGH 0.2227 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) pyrimethamine atherosclerosis GAP_HIGH 0.2227 0.375 clofibrate High-priority: Binding assay pyrimethamine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.38) glipizide psoriasis GAP_HIGH 0.2225 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.54) levonorgestrel brain_cancer GAP_HIGH 0.2224 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in brain_cancer cell model. Expected: similar to desogestrel (Jaccard=0.67) quinacrine coronary_artery_disease GAP_HIGH 0.2224 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) amodiaquine vascular_cancer GAP_HIGH 0.2224 0.56 chlorpromazine High-priority: Binding assay amodiaquine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.56) prednicarbate dilated_cardiomyopathy GAP_HIGH 0.2224 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.55) cyproterone_acetate type_2_diabetes_mellitus GAP_HIGH 0.2223 0.625 eplerenone High-priority: Binding assay cyproterone_acetate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.62) difenoxin thyroid_cancer GAP_HIGH 0.2223 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) tofisopam osteoarthritis GAP_HIGH 0.2223 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in osteoarthritis cell model. Expected: similar to bevantolol (Jaccard=0.55) tofisopam vaginal_cancer GAP_HIGH 0.2223 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in vaginal_cancer cell model. Expected: similar to bevantolol (Jaccard=0.55) procarbazine lung_cancer GAP_HIGH 0.2222 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.64) difenoxin epilepsy_syndrome GAP_HIGH 0.2222 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in epilepsy_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.62) tofisopam testicular_cancer GAP_HIGH 0.2222 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in testicular_cancer cell model. Expected: similar to bevantolol (Jaccard=0.55) glipizide systemic_lupus_erythematosus GAP_HIGH 0.2222 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zafirlukast (Jaccard=0.54) tofisopam vascular_cancer GAP_HIGH 0.2221 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in vascular_cancer cell model. Expected: similar to bevantolol (Jaccard=0.55) phenobarbital alzheimers_disease GAP_HIGH 0.2221 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in alzheimers_disease cell model. Expected: similar to ketazolam (Jaccard=0.54) regadenoson pancreatic_cancer GAP_HIGH 0.2221 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in pancreatic_cancer cell model. Expected: similar to entecavir (Jaccard=0.53) regadenoson ulcerative_colitis GAP_HIGH 0.2221 0.5294117647058824 entecavir High-priority: Binding assay regadenoson→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.53) procarbazine alzheimers_disease GAP_HIGH 0.222 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine parkinsons_disease GAP_HIGH 0.222 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in parkinsons_disease cell model. Expected: similar to suprofen (Jaccard=0.64) glipizide skin_cancer GAP_HIGH 0.222 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenobarbital autistic_disorder GAP_HIGH 0.222 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in autistic_disorder cell model. Expected: similar to ketazolam (Jaccard=0.54) methocarbamol azoospermia GAP_HIGH 0.222 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in azoospermia cell model. Expected: similar to propranolol (Jaccard=0.50) pyrimethamine malaria GAP_HIGH 0.222 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.38) heptabarbital barretts_esophagus GAP_LOW 0.222 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs barretts_esophagus targets. Cross-check heptabarbital pharmacophore against barretts_esophagus pathway. procarbazine amyotrophic_lateral_sclerosis GAP_HIGH 0.2219 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine autistic_disorder GAP_HIGH 0.2219 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) procarbazine nicotine_dependence GAP_HIGH 0.2219 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.64) oxyphenonium epilepsy_syndrome GAP_HIGH 0.2219 0.4 triamterene High-priority: Binding assay oxyphenonium→?; validate in epilepsy_syndrome cell model. Expected: similar to triamterene (Jaccard=0.40) thalidomide idiopathic_pulmonary_fibrosis GAP_HIGH 0.2218 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.75) difenoxin muscle_cancer GAP_HIGH 0.2218 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) dipivefrin restless_legs_syndrome GAP_HIGH 0.2218 0.6 orciprenaline High-priority: Binding assay dipivefrin→?; validate in restless_legs_syndrome cell model. Expected: similar to orciprenaline (Jaccard=0.60) tofisopam uterine_fibroid GAP_HIGH 0.2218 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in uterine_fibroid cell model. Expected: similar to bevantolol (Jaccard=0.55) phenobarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.2218 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ketazolam (Jaccard=0.54) methocarbamol membranous_glomerulonephritis GAP_HIGH 0.2218 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propranolol (Jaccard=0.50) procarbazine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2217 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) difenoxin lung_cancer GAP_HIGH 0.2217 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) equilin larynx_cancer GAP_HIGH 0.2216 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) quinacrine duodenum_cancer GAP_HIGH 0.2215 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine gallbladder_cancer GAP_HIGH 0.2215 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glipizide systemic_scleroderma GAP_HIGH 0.2215 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in systemic_scleroderma cell model. Expected: similar to zafirlukast (Jaccard=0.54) phenobarbital panic_disorder GAP_HIGH 0.2215 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in panic_disorder cell model. Expected: similar to ketazolam (Jaccard=0.54) phenobarbital schizophrenia GAP_HIGH 0.2215 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in schizophrenia cell model. Expected: similar to ketazolam (Jaccard=0.54) hydrochlorothiazide nephrolithiasis GAP_HIGH 0.2215 0.45454545454545453 polythiazide High-priority: Binding assay hydrochlorothiazide→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.45) procarbazine asthma GAP_HIGH 0.2214 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.64) procarbazine conduct_disorder GAP_HIGH 0.2214 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.64) procarbazine panic_disorder GAP_HIGH 0.2214 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine schizophrenia GAP_HIGH 0.2214 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.64) orciprenaline pharynx_cancer GAP_HIGH 0.2214 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) stanozolol brain_cancer GAP_HIGH 0.2214 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in brain_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) stanozolol intracranial_aneurysm GAP_HIGH 0.2214 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in intracranial_aneurysm cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) tofisopam vitiligo GAP_HIGH 0.2214 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in vitiligo cell model. Expected: similar to bevantolol (Jaccard=0.55) phenobarbital colon_cancer GAP_HIGH 0.2214 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in colon_cancer cell model. Expected: similar to ketazolam (Jaccard=0.54) aminoglutethimide hematologic_cancer GAP_HIGH 0.2214 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide narcolepsy GAP_HIGH 0.2214 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.45) trifluridine osteoporosis GAP_HIGH 0.2214 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in osteoporosis cell model. Expected: similar to methotrexate (Jaccard=0.43) procarbazine allergic_rhinitis GAP_HIGH 0.2213 0.6363636363636364 melphalan High-priority: Binding assay procarbazine→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.64) procarbazine colon_cancer GAP_HIGH 0.2213 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.64) difenoxin urinary_bladder_cancer GAP_HIGH 0.2213 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) phenobarbital bipolar_disorder GAP_HIGH 0.2213 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in bipolar_disorder cell model. Expected: similar to ketazolam (Jaccard=0.54) procarbazine bipolar_disorder GAP_HIGH 0.2212 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine endogenous_depression GAP_HIGH 0.2212 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.64) quinacrine creutzfeldt-jakob_disease GAP_HIGH 0.2212 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) orciprenaline thyroid_cancer GAP_HIGH 0.2212 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) tofisopam rheumatoid_arthritis GAP_HIGH 0.2212 0.55 bevantolol High-priority: Binding assay tofisopam→?; validate in rheumatoid_arthritis cell model. Expected: similar to bevantolol (Jaccard=0.55) phenobarbital endogenous_depression GAP_HIGH 0.2212 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in endogenous_depression cell model. Expected: similar to ketazolam (Jaccard=0.54) procarbazine multiple_sclerosis GAP_HIGH 0.2211 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.64) procarbazine psoriasis GAP_HIGH 0.2211 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.64) diphenidol celiac_disease GAP_HIGH 0.2211 0.5714285714285714 mepenzolate High-priority: Binding assay diphenidol→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.57) phenobarbital ovarian_cancer GAP_HIGH 0.2211 0.5384615384615384 ketazolam High-priority: Binding assay phenobarbital→?; validate in ovarian_cancer cell model. Expected: similar to ketazolam (Jaccard=0.54) procarbazine migraine GAP_HIGH 0.221 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in migraine cell model. Expected: similar to suprofen (Jaccard=0.64) difenoxin panic_disorder GAP_HIGH 0.221 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in panic_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.62) glipizide vitiligo GAP_HIGH 0.221 0.5384615384615384 zafirlukast High-priority: Binding assay glipizide→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.54) butabarbital narcolepsy GAP_HIGH 0.221 0.4583333333333333 chlorpromazine High-priority: Binding assay butabarbital→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.46) difenoxin colon_cancer GAP_HIGH 0.2209 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in colon_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) trifluridine osteoarthritis GAP_HIGH 0.2209 0.42857142857142855 methotrexate High-priority: Binding assay trifluridine→?; validate in osteoarthritis cell model. Expected: similar to methotrexate (Jaccard=0.43) telbivudine hematologic_cancer GAP_HIGH 0.2209 0.3333333333333333 adenosine High-priority: Binding assay telbivudine→?; validate in hematologic_cancer cell model. Expected: similar to adenosine (Jaccard=0.33) difenoxin stomach_cancer GAP_HIGH 0.2208 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) nilvadipine coronary_artery_disease GAP_HIGH 0.2208 0.5 lercanidipine High-priority: Binding assay nilvadipine→?; validate in coronary_artery_disease cell model. Expected: similar to lercanidipine (Jaccard=0.50) pentobarbital barretts_esophagus GAP_LOW 0.2208 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs barretts_esophagus targets. Cross-check pentobarbital pharmacophore against barretts_esophagus pathway. sulfadiazine vaginal_cancer GAP_HIGH 0.2207 0.65 sulfapyridine High-priority: Binding assay sulfadiazine→?; validate in vaginal_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.65) sulfadiazine vulva_cancer GAP_HIGH 0.2207 0.65 sulfapyridine High-priority: Binding assay sulfadiazine→?; validate in vulva_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.65) difenoxin pancreatic_cancer GAP_HIGH 0.2207 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) quinacrine ankylosing_spondylitis GAP_HIGH 0.2207 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) allylestrenol brain_cancer GAP_HIGH 0.2207 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in brain_cancer cell model. Expected: similar to ethynodiol (Jaccard=0.56) spirapril acquired_immunodeficiency_syndrome GAP_HIGH 0.2207 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.38) sulfadiazine vascular_cancer GAP_HIGH 0.2206 0.65 sulfapyridine High-priority: Binding assay sulfadiazine→?; validate in vascular_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.65) difenoxin multiple_sclerosis GAP_HIGH 0.2206 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.62) difenoxin osteoporosis GAP_HIGH 0.2206 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.62) difenoxin ovarian_cancer GAP_HIGH 0.2206 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in ovarian_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) difenoxin psoriasis GAP_HIGH 0.2206 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.62) quinacrine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2206 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) nandrolone_phenpropionate brain_cancer GAP_HIGH 0.2206 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in brain_cancer cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) norelgestromin alopecia_areata GAP_HIGH 0.2206 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in alopecia_areata cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) aminoglutethimide melanoma GAP_HIGH 0.2206 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.45) terbutaline polycystic_ovary_syndrome GAP_HIGH 0.2205 0.6666666666666666 pirbuterol High-priority: Binding assay terbutaline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirbuterol (Jaccard=0.67) difenoxin sarcoma GAP_HIGH 0.2205 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.62) stanozolol head_and_neck_cancer GAP_HIGH 0.2205 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) stanozolol malignant_glioma GAP_HIGH 0.2205 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in malignant_glioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) difenoxin systemic_lupus_erythematosus GAP_HIGH 0.2203 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.62) aminoglutethimide creutzfeldt-jakob_disease GAP_HIGH 0.2203 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aprobarbital barretts_esophagus GAP_LOW 0.2203 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs barretts_esophagus targets. Cross-check aprobarbital pharmacophore against barretts_esophagus pathway. butethal barretts_esophagus GAP_LOW 0.2203 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs barretts_esophagus targets. Cross-check butethal pharmacophore against barretts_esophagus pathway. riboflavin primary_biliary_cirrhosis GAP_HIGH 0.2201 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) dextropropoxyphene coronary_artery_disease GAP_HIGH 0.2201 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in coronary_artery_disease cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene narcolepsy GAP_HIGH 0.2201 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in narcolepsy cell model. Expected: similar to propiomazine (Jaccard=0.40) labetalol hematologic_cancer GAP_HIGH 0.2201 0.4 aspartame High-priority: Binding assay labetalol→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) labetalol narcolepsy GAP_HIGH 0.2201 0.4 aspartame High-priority: Binding assay labetalol→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.40) difenoxin testicular_cancer GAP_HIGH 0.22 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) quinacrine lung_cancer GAP_HIGH 0.22 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine rectum_cancer GAP_HIGH 0.22 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glutethimide azoospermia GAP_HIGH 0.22 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in azoospermia cell model. Expected: similar to phenytoin (Jaccard=0.52) oxyphenonium metabolic_syndrome_x GAP_HIGH 0.22 0.4 triamterene High-priority: Binding assay oxyphenonium→?; validate in metabolic_syndrome_x cell model. Expected: similar to triamterene (Jaccard=0.40) fenbufen gout GAP_HIGH 0.2199 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.67) difenoxin vascular_cancer GAP_HIGH 0.2199 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.62) quinacrine alzheimers_disease GAP_HIGH 0.2199 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine parkinsons_disease GAP_HIGH 0.2199 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.61) pentostatin vitiligo GAP_HIGH 0.2199 0.4 stavudine High-priority: Binding assay pentostatin→?; validate in vitiligo cell model. Expected: similar to stavudine (Jaccard=0.40) procarbazine restless_legs_syndrome GAP_HIGH 0.2198 0.6363636363636364 suprofen High-priority: Binding assay procarbazine→?; validate in restless_legs_syndrome cell model. Expected: similar to suprofen (Jaccard=0.64) quinacrine amyotrophic_lateral_sclerosis GAP_HIGH 0.2198 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine autistic_disorder GAP_HIGH 0.2198 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine liver_cancer GAP_HIGH 0.2198 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine nicotine_dependence GAP_HIGH 0.2198 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.61) orciprenaline asthma GAP_HIGH 0.2198 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in asthma cell model. Expected: similar to dipivefrin (Jaccard=0.60) methocarbamol crohns_disease GAP_HIGH 0.2198 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.50) l-cystine hematologic_cancer GAP_HIGH 0.2198 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) antazoline crohns_disease GAP_HIGH 0.2197 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in crohns_disease cell model. Expected: similar to bepridil (Jaccard=0.67) difenoxin systemic_scleroderma GAP_HIGH 0.2197 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.62) aminoglutethimide thyroid_cancer GAP_HIGH 0.2197 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) methohexital hematologic_cancer GAP_HIGH 0.2197 0.38095238095238093 phensuximide High-priority: Binding assay methohexital→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.38) quinacrine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2196 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2196 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) orciprenaline uterine_cancer GAP_HIGH 0.2195 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) methocarbamol idiopathic_pulmonary_fibrosis GAP_HIGH 0.2195 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propranolol (Jaccard=0.50) thalidomide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2194 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.75) glutethimide alzheimers_disease GAP_HIGH 0.2194 0.5416666666666666 antipyrine High-priority: Binding assay glutethimide→?; validate in alzheimers_disease cell model. Expected: similar to antipyrine (Jaccard=0.54) methocarbamol prostate_cancer GAP_HIGH 0.2194 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in prostate_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) aminoglutethimide pancreatitis GAP_HIGH 0.2194 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in pancreatitis cell model. Expected: similar to probenecid (Jaccard=0.45) fluocinonide type_1_diabetes_mellitus GAP_HIGH 0.2193 0.7692307692307693 rimexolone High-priority: Binding assay fluocinonide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.77) quinacrine asthma GAP_HIGH 0.2193 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.61) tranylcypromine leprosy GAP_HIGH 0.2193 0.5555555555555556 phenmetrazine High-priority: Binding assay tranylcypromine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.56) glutethimide autistic_disorder GAP_HIGH 0.2193 0.5416666666666666 antipyrine High-priority: Binding assay glutethimide→?; validate in autistic_disorder cell model. Expected: similar to antipyrine (Jaccard=0.54) dextropropoxyphene duodenum_cancer GAP_HIGH 0.2193 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in duodenum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene gallbladder_cancer GAP_HIGH 0.2193 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in gallbladder_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) clobazam epilepsy_syndrome GAP_HIGH 0.2192 0.7333333333333333 butabarbital High-priority: Binding assay clobazam→?; validate in epilepsy_syndrome cell model. Expected: similar to butabarbital (Jaccard=0.73) quinacrine atopic_dermatitis GAP_HIGH 0.2192 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine colon_cancer GAP_HIGH 0.2192 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine conduct_disorder GAP_HIGH 0.2192 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine hypertension GAP_HIGH 0.2192 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide muscle_cancer GAP_HIGH 0.2192 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) quinacrine allergic_rhinitis GAP_HIGH 0.2191 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine stomach_cancer GAP_HIGH 0.2191 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide lung_cancer GAP_HIGH 0.2191 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) l-cysteine hematologic_cancer GAP_HIGH 0.219 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) difenoxin rheumatoid_arthritis GAP_HIGH 0.219 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in rheumatoid_arthritis cell model. Expected: similar to clotrimazole (Jaccard=0.62) quinacrine endogenous_depression GAP_HIGH 0.219 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine psoriasis GAP_HIGH 0.219 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine ulcerative_colitis GAP_HIGH 0.219 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) methocarbamol coronary_artery_disease GAP_HIGH 0.219 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.50) butabarbital pancreatitis GAP_HIGH 0.219 0.4583333333333333 chlorpromazine High-priority: Binding assay butabarbital→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.46) aminoglutethimide alzheimers_disease GAP_HIGH 0.219 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) oxyphenonium polycystic_ovary_syndrome GAP_HIGH 0.219 0.4 triamterene High-priority: Binding assay oxyphenonium→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to triamterene (Jaccard=0.40) oxyphenonium type_2_diabetes_mellitus GAP_HIGH 0.219 0.4 triamterene High-priority: Binding assay oxyphenonium→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to triamterene (Jaccard=0.40) quinacrine osteoporosis GAP_HIGH 0.2189 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine ovarian_cancer GAP_HIGH 0.2189 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine uterine_cancer GAP_HIGH 0.2189 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) orciprenaline testicular_cancer GAP_HIGH 0.2189 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) orciprenaline vaginal_cancer GAP_HIGH 0.2189 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) orciprenaline vulva_cancer GAP_HIGH 0.2189 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) methocarbamol narcolepsy GAP_HIGH 0.2189 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in narcolepsy cell model. Expected: similar to propranolol (Jaccard=0.50) aminoglutethimide amyotrophic_lateral_sclerosis GAP_HIGH 0.2189 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide autistic_disorder GAP_HIGH 0.2189 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide liver_cancer GAP_HIGH 0.2189 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) aminoglutethimide nicotine_dependence GAP_HIGH 0.2189 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide parkinsons_disease GAP_HIGH 0.2189 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) dextropropoxyphene creutzfeldt-jakob_disease GAP_HIGH 0.2189 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to propiomazine (Jaccard=0.40) triamterene atherosclerosis GAP_HIGH 0.2189 0.375 clofibrate High-priority: Binding assay triamterene→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.38) antazoline coronary_artery_disease GAP_HIGH 0.2188 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.67) difenoxin psoriatic_arthritis GAP_HIGH 0.2187 0.6153846153846154 clotrimazole High-priority: Binding assay difenoxin→?; validate in psoriatic_arthritis cell model. Expected: similar to clotrimazole (Jaccard=0.62) orciprenaline vascular_cancer GAP_HIGH 0.2187 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) glutethimide colon_cancer GAP_HIGH 0.2187 0.5416666666666666 antipyrine High-priority: Binding assay glutethimide→?; validate in colon_cancer cell model. Expected: similar to antipyrine (Jaccard=0.54) glutethimide malignant_mesothelioma GAP_HIGH 0.2187 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.52) aminoglutethimide urinary_bladder_cancer GAP_HIGH 0.2187 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) quinacrine systemic_lupus_erythematosus GAP_HIGH 0.2186 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide attention_deficit_hyperactivity_disorder GAP_HIGH 0.2186 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) labetalol pharynx_cancer GAP_HIGH 0.2186 0.4 aspartame High-priority: Binding assay labetalol→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) quinacrine metabolic_syndrome_x GAP_HIGH 0.2185 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.61) ergocalciferol osteoporosis GAP_HIGH 0.2185 0.5714285714285714 paricalcitol High-priority: Binding assay ergocalciferol→?; validate in osteoporosis cell model. Expected: similar to paricalcitol (Jaccard=0.57) prazepam alcohol_dependence GAP_HIGH 0.2185 0.4117647058823529 fludiazepam High-priority: Binding assay prazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.41) dextropropoxyphene ankylosing_spondylitis GAP_HIGH 0.2185 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in ankylosing_spondylitis cell model. Expected: similar to propiomazine (Jaccard=0.40) lisinopril sarcoma GAP_HIGH 0.2184 0.7777777777777778 trandolapril High-priority: Binding assay lisinopril→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.78) quinacrine osteoarthritis GAP_HIGH 0.2184 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) orciprenaline uterine_fibroid GAP_HIGH 0.2184 0.6 dipivefrin High-priority: Binding assay orciprenaline→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.60) norelgestromin brain_cancer GAP_HIGH 0.2184 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in brain_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) norelgestromin intracranial_aneurysm GAP_HIGH 0.2184 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in intracranial_aneurysm cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) stanozolol germ_cell_cancer GAP_HIGH 0.2184 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in germ_cell_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide ovarian_cancer GAP_HIGH 0.2184 0.5416666666666666 antipyrine High-priority: Binding assay glutethimide→?; validate in ovarian_cancer cell model. Expected: similar to antipyrine (Jaccard=0.54) riboflavin pharynx_cancer GAP_HIGH 0.2184 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in pharynx_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) aminoglutethimide panic_disorder GAP_HIGH 0.2184 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) quinacrine testicular_cancer GAP_HIGH 0.2183 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine vaginal_cancer GAP_HIGH 0.2183 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine vulva_cancer GAP_HIGH 0.2183 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide asthma GAP_HIGH 0.2183 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide atopic_dermatitis GAP_HIGH 0.2183 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide breast_cancer GAP_HIGH 0.2183 0.45454545454545453 phenmetrazine High-priority: Binding assay aminoglutethimide→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.45) aminoglutethimide conduct_disorder GAP_HIGH 0.2183 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide hypertension GAP_HIGH 0.2183 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide schizophrenia GAP_HIGH 0.2183 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.45) hydrochlorothiazide chronic_kidney_failure GAP_HIGH 0.2183 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in chronic_kidney_failure cell model. Expected: similar to methyclothiazide (Jaccard=0.44) dextropropoxyphene epilepsy_syndrome GAP_HIGH 0.2183 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in epilepsy_syndrome cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine pharynx_cancer GAP_HIGH 0.2183 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) doxylamine azoospermia GAP_HIGH 0.2182 0.6 disopyramide High-priority: Binding assay doxylamine→?; validate in azoospermia cell model. Expected: similar to disopyramide (Jaccard=0.60) aminoglutethimide allergic_rhinitis GAP_HIGH 0.2182 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide bipolar_disorder GAP_HIGH 0.2182 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) aminoglutethimide stomach_cancer GAP_HIGH 0.2182 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) triamterene malaria GAP_HIGH 0.2182 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.38) thalidomide atopic_dermatitis GAP_HIGH 0.2181 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.75) quinacrine obesity GAP_HIGH 0.2181 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.61) sulfanilamide atherosclerosis GAP_HIGH 0.2181 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.60) aminoglutethimide endogenous_depression GAP_HIGH 0.2181 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.45) thalidomide hypertension GAP_HIGH 0.218 0.75 clenbuterol High-priority: Binding assay thalidomide→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=0.75) quinacrine systemic_scleroderma GAP_HIGH 0.218 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.61) aminoglutethimide multiple_sclerosis GAP_HIGH 0.218 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) labetalol salivary_gland_cancer GAP_HIGH 0.218 0.4 aspartame High-priority: Binding assay labetalol→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) fenbufen chronic_obstructive_pulmonary_disease GAP_HIGH 0.2179 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenindione (Jaccard=0.67) dimetindene chronic_kidney_failure GAP_HIGH 0.2179 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in chronic_kidney_failure cell model. Expected: similar to doxepin (Jaccard=0.62) quinacrine uterine_fibroid GAP_HIGH 0.2179 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glutethimide crohns_disease GAP_HIGH 0.2179 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.52) aminoglutethimide sarcoma GAP_HIGH 0.2179 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in sarcoma cell model. Expected: similar to probenecid (Jaccard=0.45) labetalol muscle_cancer GAP_HIGH 0.2179 0.4 aspartame High-priority: Binding assay labetalol→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) l-cystine epilepsy_syndrome GAP_HIGH 0.2179 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-serine (Jaccard=0.32) thalidomide psoriasis GAP_HIGH 0.2178 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.75) dopamine hypertension GAP_HIGH 0.2178 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in hypertension cell model. Expected: similar to pirbuterol (Jaccard=0.60) methocarbamol creutzfeldt-jakob_disease GAP_HIGH 0.2178 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to propranolol (Jaccard=0.50) dextropropoxyphene lung_cancer GAP_HIGH 0.2178 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in lung_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene rectum_cancer GAP_HIGH 0.2178 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in rectum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) disopyramide focal_segmental_glomerulosclerosis GAP_HIGH 0.2177 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.50) riboflavin salivary_gland_cancer GAP_HIGH 0.2177 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in salivary_gland_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) labetalol ocular_cancer GAP_HIGH 0.2177 0.4 aspartame High-priority: Binding assay labetalol→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) l-cystine salivary_gland_cancer GAP_HIGH 0.2177 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) lisinopril systemic_scleroderma GAP_HIGH 0.2176 0.7777777777777778 trandolapril High-priority: Binding assay lisinopril→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.78) quinacrine polycystic_ovary_syndrome GAP_HIGH 0.2176 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine restless_legs_syndrome GAP_HIGH 0.2176 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in restless_legs_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.61) quinacrine type_2_diabetes_mellitus GAP_HIGH 0.2176 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.61) esmolol atherosclerosis GAP_HIGH 0.2176 0.4375 naproxen High-priority: Binding assay esmolol→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.44) dextropropoxyphene alzheimers_disease GAP_HIGH 0.2176 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in alzheimers_disease cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene liver_cancer GAP_HIGH 0.2176 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in liver_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene parkinsons_disease GAP_HIGH 0.2176 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in parkinsons_disease cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine muscle_cancer GAP_HIGH 0.2176 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) cyclopentolate gilles_de_la_tourette_syndrome GAP_HIGH 0.2175 0.7142857142857143 remifentanil High-priority: Binding assay cyclopentolate→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.71) l-cysteine pharynx_cancer GAP_HIGH 0.2175 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) quinacrine vitiligo GAP_HIGH 0.2175 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.61) norelgestromin malignant_glioma GAP_HIGH 0.2175 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in malignant_glioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) riboflavin ocular_cancer GAP_HIGH 0.2175 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in ocular_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) dextropropoxyphene amyotrophic_lateral_sclerosis GAP_HIGH 0.2175 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene autistic_disorder GAP_HIGH 0.2175 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in autistic_disorder cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene nicotine_dependence GAP_HIGH 0.2175 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in nicotine_dependence cell model. Expected: similar to propiomazine (Jaccard=0.40) methohexital muscle_cancer GAP_HIGH 0.2175 0.38095238095238093 phensuximide High-priority: Binding assay methohexital→?; validate in muscle_cancer cell model. Expected: similar to phensuximide (Jaccard=0.38) telbivudine multiple_sclerosis GAP_HIGH 0.2175 0.3333333333333333 entecavir High-priority: Binding assay telbivudine→?; validate in multiple_sclerosis cell model. Expected: similar to entecavir (Jaccard=0.33) thalidomide metabolic_syndrome_x GAP_HIGH 0.2174 0.75 clenbuterol High-priority: Binding assay thalidomide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clenbuterol (Jaccard=0.75) phenmetrazine kidney_cancer GAP_HIGH 0.2174 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.56) glutethimide prostate_cancer GAP_HIGH 0.2174 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) aminoglutethimide testicular_cancer GAP_HIGH 0.2174 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) aminoglutethimide vaginal_cancer GAP_HIGH 0.2174 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) labetalol peripheral_nervous_system_neoplasm GAP_HIGH 0.2174 0.4 aspartame High-priority: Binding assay labetalol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.40) labetalol urinary_bladder_cancer GAP_HIGH 0.2174 0.4 aspartame High-priority: Binding assay labetalol→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.40) equilin head_and_neck_cancer GAP_HIGH 0.2174 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) quinacrine rheumatoid_arthritis GAP_HIGH 0.2173 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) dopamine systemic_lupus_erythematosus GAP_HIGH 0.2173 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pirbuterol (Jaccard=0.60) phenmetrazine nephrolithiasis GAP_HIGH 0.2173 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.56) quinacrine malaria GAP_HIGH 0.2173 0.5238095238095238 butabarbital High-priority: Binding assay quinacrine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.52) glutethimide mediastinal_cancer GAP_HIGH 0.2173 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol ankylosing_spondylitis GAP_HIGH 0.2173 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin liver_cancer GAP_HIGH 0.2173 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in liver_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) aminoglutethimide vascular_cancer GAP_HIGH 0.2173 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) dextropropoxyphene attention_deficit_hyperactivity_disorder GAP_HIGH 0.2173 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine alzheimers_disease GAP_HIGH 0.2173 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine parkinsons_disease GAP_HIGH 0.2173 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.32) fenbufen alzheimers_disease GAP_HIGH 0.2172 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in alzheimers_disease cell model. Expected: similar to phenindione (Jaccard=0.67) cyproheptadine pharynx_cancer GAP_HIGH 0.2172 0.6 bimatoprost High-priority: Binding assay cyproheptadine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) dopamine metabolic_syndrome_x GAP_HIGH 0.2172 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to pirbuterol (Jaccard=0.60) riboflavin urinary_bladder_cancer GAP_HIGH 0.2172 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in urinary_bladder_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) l-cystine amyotrophic_lateral_sclerosis GAP_HIGH 0.2172 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.32) fenbufen autistic_disorder GAP_HIGH 0.2171 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in autistic_disorder cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen nicotine_dependence GAP_HIGH 0.2171 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in nicotine_dependence cell model. Expected: similar to phenindione (Jaccard=0.67) l-cysteine epilepsy_syndrome GAP_HIGH 0.2171 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-serine (Jaccard=0.62) quinacrine psoriatic_arthritis GAP_HIGH 0.2171 0.6086956521739131 chlorprothixene High-priority: Binding assay quinacrine→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.61) glutethimide thymus_cancer GAP_HIGH 0.2171 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2171 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin peripheral_nervous_system_neoplasm GAP_HIGH 0.2171 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) l-cystine peripheral_nervous_system_neoplasm GAP_HIGH 0.2171 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.32) thalidomide obesity GAP_HIGH 0.217 0.75 clenbuterol High-priority: Binding assay thalidomide→?; validate in obesity cell model. Expected: similar to clenbuterol (Jaccard=0.75) antazoline chronic_obstructive_pulmonary_disease GAP_HIGH 0.217 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.67) levonorgestrel gout GAP_HIGH 0.217 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in gout cell model. Expected: similar to desogestrel (Jaccard=0.67) stanozolol meningioma GAP_HIGH 0.217 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in meningioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide coronary_artery_disease GAP_HIGH 0.217 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.52) glutethimide narcolepsy GAP_HIGH 0.217 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in narcolepsy cell model. Expected: similar to phenytoin (Jaccard=0.52) aminoglutethimide uterine_fibroid GAP_HIGH 0.217 0.45454545454545453 probenecid High-priority: Binding assay aminoglutethimide→?; validate in uterine_fibroid cell model. Expected: similar to probenecid (Jaccard=0.45) dextropropoxyphene asthma GAP_HIGH 0.217 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in asthma cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene breast_cancer GAP_HIGH 0.217 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in breast_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene conduct_disorder GAP_HIGH 0.217 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in conduct_disorder cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene panic_disorder GAP_HIGH 0.217 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in panic_disorder cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene schizophrenia GAP_HIGH 0.217 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in schizophrenia cell model. Expected: similar to propiomazine (Jaccard=0.40) ergocalciferol rheumatoid_arthritis GAP_HIGH 0.2169 0.5714285714285714 paricalcitol High-priority: Binding assay ergocalciferol→?; validate in rheumatoid_arthritis cell model. Expected: similar to paricalcitol (Jaccard=0.57) methocarbamol pancreatitis GAP_HIGH 0.2169 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in pancreatitis cell model. Expected: similar to propranolol (Jaccard=0.50) tolazamide osteoporosis GAP_HIGH 0.2169 0.4666666666666667 chlorpropamide High-priority: Binding assay tolazamide→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.47) butabarbital vascular_cancer GAP_HIGH 0.2169 0.4583333333333333 chlorpromazine High-priority: Binding assay butabarbital→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.46) dextropropoxyphene allergic_rhinitis GAP_HIGH 0.2169 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in allergic_rhinitis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene atopic_dermatitis GAP_HIGH 0.2169 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in atopic_dermatitis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene colon_cancer GAP_HIGH 0.2169 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in colon_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene stomach_cancer GAP_HIGH 0.2169 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in stomach_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) quazepam alcohol_dependence GAP_HIGH 0.2169 0.29411764705882354 fludiazepam High-priority: Binding assay quazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.29) levonorgestrel hematologic_cancer GAP_HIGH 0.2168 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in hematologic_cancer cell model. Expected: similar to desogestrel (Jaccard=0.67) l-cysteine salivary_gland_cancer GAP_HIGH 0.2168 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) dopamine obesity GAP_HIGH 0.2168 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in obesity cell model. Expected: similar to pirbuterol (Jaccard=0.60) methocarbamol salivary_gland_cancer GAP_HIGH 0.2168 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) dextropropoxyphene bipolar_disorder GAP_HIGH 0.2168 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in bipolar_disorder cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene endogenous_depression GAP_HIGH 0.2168 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in endogenous_depression cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene pancreatic_cancer GAP_HIGH 0.2168 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in pancreatic_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene ulcerative_colitis GAP_HIGH 0.2168 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in ulcerative_colitis cell model. Expected: similar to propiomazine (Jaccard=0.40) antazoline pancreatitis GAP_HIGH 0.2167 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in pancreatitis cell model. Expected: similar to bepridil (Jaccard=0.67) dimetindene azoospermia GAP_HIGH 0.2167 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in azoospermia cell model. Expected: similar to doxepin (Jaccard=0.62) l-cysteine muscle_cancer GAP_HIGH 0.2167 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) aminoglutethimide restless_legs_syndrome GAP_HIGH 0.2167 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in restless_legs_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.45) dextropropoxyphene multiple_sclerosis GAP_HIGH 0.2167 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in multiple_sclerosis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene osteoporosis GAP_HIGH 0.2167 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in osteoporosis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene ovarian_cancer GAP_HIGH 0.2167 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in ovarian_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene psoriasis GAP_HIGH 0.2167 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in psoriasis cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene uterine_cancer GAP_HIGH 0.2167 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in uterine_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine asthma GAP_HIGH 0.2167 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.32) choline hypothyroidism GAP_HIGH 0.2167 0.25 methimazole High-priority: Binding assay choline→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.25) butabarbital barretts_esophagus GAP_LOW 0.2167 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs barretts_esophagus targets. Cross-check butabarbital pharmacophore against barretts_esophagus pathway. fenbufen asthma GAP_HIGH 0.2166 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in asthma cell model. Expected: similar to phenindione (Jaccard=0.67) cyproheptadine salivary_gland_cancer GAP_HIGH 0.2166 0.6 bimatoprost High-priority: Binding assay cyproheptadine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) dopamine systemic_scleroderma GAP_HIGH 0.2166 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in systemic_scleroderma cell model. Expected: similar to pirbuterol (Jaccard=0.60) methocarbamol ocular_cancer GAP_HIGH 0.2166 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) tolazamide systemic_lupus_erythematosus GAP_HIGH 0.2166 0.4666666666666667 chlorpropamide High-priority: Binding assay tolazamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorpropamide (Jaccard=0.47) aminoglutethimide vitiligo GAP_HIGH 0.2166 0.45454545454545453 tranylcypromine High-priority: Binding assay aminoglutethimide→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.45) dextropropoxyphene migraine GAP_HIGH 0.2166 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in migraine cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine allergic_rhinitis GAP_HIGH 0.2166 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine breast_cancer GAP_HIGH 0.2166 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine colon_cancer GAP_HIGH 0.2166 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) fenbufen allergic_rhinitis GAP_HIGH 0.2165 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in allergic_rhinitis cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen atopic_dermatitis GAP_HIGH 0.2165 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in atopic_dermatitis cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen breast_cancer GAP_HIGH 0.2165 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in breast_cancer cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen colon_cancer GAP_HIGH 0.2165 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in colon_cancer cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen hypertension GAP_HIGH 0.2165 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in hypertension cell model. Expected: similar to phenindione (Jaccard=0.67) l-cysteine alzheimers_disease GAP_HIGH 0.2165 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine parkinsons_disease GAP_HIGH 0.2165 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.62) methocarbamol alzheimers_disease GAP_HIGH 0.2165 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in alzheimers_disease cell model. Expected: similar to propranolol (Jaccard=0.50) methohexital atherosclerosis GAP_HIGH 0.2165 0.3235294117647059 flurbiprofen High-priority: Binding assay methohexital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.32) thalidomide type_2_diabetes_mellitus GAP_HIGH 0.2164 0.75 clenbuterol High-priority: Binding assay thalidomide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clenbuterol (Jaccard=0.75) thalidomide vitiligo GAP_HIGH 0.2164 0.75 epinephrine High-priority: Binding assay thalidomide→?; validate in vitiligo cell model. Expected: similar to epinephrine (Jaccard=0.75) l-cysteine amyotrophic_lateral_sclerosis GAP_HIGH 0.2164 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.62) stanozolol idiopathic_pulmonary_fibrosis GAP_HIGH 0.2164 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) methocarbamol amyotrophic_lateral_sclerosis GAP_HIGH 0.2164 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol autistic_disorder GAP_HIGH 0.2164 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in autistic_disorder cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol nicotine_dependence GAP_HIGH 0.2164 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in nicotine_dependence cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol parkinsons_disease GAP_HIGH 0.2164 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in parkinsons_disease cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin multiple_sclerosis GAP_HIGH 0.2164 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in multiple_sclerosis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) riboflavin osteoporosis GAP_HIGH 0.2164 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in osteoporosis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) riboflavin uterine_cancer GAP_HIGH 0.2164 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in uterine_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) fenbufen psoriasis GAP_HIGH 0.2163 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in psoriasis cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen ulcerative_colitis GAP_HIGH 0.2163 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in ulcerative_colitis cell model. Expected: similar to phenindione (Jaccard=0.67) cyproheptadine ocular_cancer GAP_HIGH 0.2163 0.6 bimatoprost High-priority: Binding assay cyproheptadine→?; validate in ocular_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.60) agomelatine type_1_diabetes_mellitus GAP_HIGH 0.2163 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.53) riboflavin sarcoma GAP_HIGH 0.2163 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in sarcoma cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) l-cystine migraine GAP_HIGH 0.2163 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine osteoporosis GAP_HIGH 0.2163 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine ovarian_cancer GAP_HIGH 0.2163 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine sarcoma GAP_HIGH 0.2163 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine uterine_cancer GAP_HIGH 0.2163 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) fenbufen osteoporosis GAP_HIGH 0.2162 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in osteoporosis cell model. Expected: similar to phenindione (Jaccard=0.67) fenbufen ovarian_cancer GAP_HIGH 0.2162 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in ovarian_cancer cell model. Expected: similar to phenindione (Jaccard=0.67) l-cysteine peripheral_nervous_system_neoplasm GAP_HIGH 0.2162 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.62) dopamine polycystic_ovary_syndrome GAP_HIGH 0.2162 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirbuterol (Jaccard=0.60) dopamine type_2_diabetes_mellitus GAP_HIGH 0.2162 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to pirbuterol (Jaccard=0.60) epinephrine hematologic_cancer GAP_HIGH 0.2162 0.6 pomalidomide High-priority: Binding assay epinephrine→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.60) glutethimide melanoma GAP_HIGH 0.2162 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol peripheral_nervous_system_neoplasm GAP_HIGH 0.2162 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol urinary_bladder_cancer GAP_HIGH 0.2162 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in urinary_bladder_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) dextropropoxyphene osteoarthritis GAP_HIGH 0.2162 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in osteoarthritis cell model. Expected: similar to propiomazine (Jaccard=0.40) stanozolol mediastinal_cancer GAP_HIGH 0.2161 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) methocarbamol attention_deficit_hyperactivity_disorder GAP_HIGH 0.2161 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to propranolol (Jaccard=0.50) dextropropoxyphene testicular_cancer GAP_HIGH 0.2161 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in testicular_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene vaginal_cancer GAP_HIGH 0.2161 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in vaginal_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) dextropropoxyphene vulva_cancer GAP_HIGH 0.2161 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in vulva_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) telbivudine vitiligo GAP_HIGH 0.2161 0.3333333333333333 didanosine High-priority: Binding assay telbivudine→?; validate in vitiligo cell model. Expected: similar to didanosine (Jaccard=0.33) fenbufen systemic_lupus_erythematosus GAP_HIGH 0.216 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenindione (Jaccard=0.67) dopamine rheumatoid_arthritis GAP_HIGH 0.216 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to pirbuterol (Jaccard=0.60) stanozolol gout GAP_HIGH 0.216 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in gout cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) stanozolol thymus_cancer GAP_HIGH 0.216 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) nelarabine kidney_cancer GAP_HIGH 0.216 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) methocarbamol panic_disorder GAP_HIGH 0.2159 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in panic_disorder cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol schizophrenia GAP_HIGH 0.2159 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in schizophrenia cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin osteoarthritis GAP_HIGH 0.2159 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in osteoarthritis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) tolazamide systemic_scleroderma GAP_HIGH 0.2159 0.4666666666666667 chlorpropamide High-priority: Binding assay tolazamide→?; validate in systemic_scleroderma cell model. Expected: similar to chlorpropamide (Jaccard=0.47) nelarabine nephrolithiasis GAP_HIGH 0.2159 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.33) pasireotide azoospermia GAP_HIGH 0.2159 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in azoospermia cell model. Expected: similar to deferasirox (Jaccard=0.33) l-cystine skin_cancer GAP_HIGH 0.2159 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) l-cysteine asthma GAP_HIGH 0.2158 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine breast_cancer GAP_HIGH 0.2158 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine colon_cancer GAP_HIGH 0.2158 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) ephedrine hematologic_cancer GAP_HIGH 0.2158 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in hematologic_cancer cell model. Expected: similar to diethylpropion (Jaccard=0.58) quinacrine azoospermia GAP_HIGH 0.2158 0.56 chlorpromazine High-priority: Binding assay quinacrine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.56) stanozolol hematologic_cancer GAP_HIGH 0.2158 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in hematologic_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide creutzfeldt-jakob_disease GAP_HIGH 0.2158 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol asthma GAP_HIGH 0.2158 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in asthma cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol atopic_dermatitis GAP_HIGH 0.2158 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in atopic_dermatitis cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol breast_cancer GAP_HIGH 0.2158 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in breast_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol conduct_disorder GAP_HIGH 0.2158 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in conduct_disorder cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin testicular_cancer GAP_HIGH 0.2158 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in testicular_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) riboflavin vaginal_cancer GAP_HIGH 0.2158 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in vaginal_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) riboflavin vulva_cancer GAP_HIGH 0.2158 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in vulva_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) amodiaquine atherosclerosis GAP_HIGH 0.2158 0.45161290322580644 flurbiprofen High-priority: Binding assay amodiaquine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.45) l-cystine osteoarthritis GAP_HIGH 0.2158 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine vaginal_cancer GAP_HIGH 0.2158 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) l-cystine vulva_cancer GAP_HIGH 0.2158 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) l-cysteine allergic_rhinitis GAP_HIGH 0.2157 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.62) dopamine psoriatic_arthritis GAP_HIGH 0.2157 0.6 pirbuterol High-priority: Binding assay dopamine→?; validate in psoriatic_arthritis cell model. Expected: similar to pirbuterol (Jaccard=0.60) probenecid leprosy GAP_HIGH 0.2157 0.5555555555555556 phenmetrazine High-priority: Binding assay probenecid→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.56) methocarbamol allergic_rhinitis GAP_HIGH 0.2157 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in allergic_rhinitis cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol bipolar_disorder GAP_HIGH 0.2157 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in bipolar_disorder cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin vascular_cancer GAP_HIGH 0.2157 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in vascular_cancer cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) l-cystine testicular_cancer GAP_HIGH 0.2157 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) antazoline stomach_cancer GAP_HIGH 0.2156 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) diphenidol sclerosing_cholangitis GAP_HIGH 0.2156 0.5714285714285714 mepenzolate High-priority: Binding assay diphenidol→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.57) methocarbamol endogenous_depression GAP_HIGH 0.2156 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in endogenous_depression cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol pancreatic_cancer GAP_HIGH 0.2156 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in pancreatic_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) sulpiride kidney_cancer GAP_HIGH 0.2156 0.5 tolazamide High-priority: Binding assay sulpiride→?; validate in kidney_cancer cell model. Expected: similar to tolazamide (Jaccard=0.50) dextropropoxyphene uterine_fibroid GAP_HIGH 0.2156 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in uterine_fibroid cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine vascular_cancer GAP_HIGH 0.2156 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.32) lubiprostone dilated_cardiomyopathy GAP_HIGH 0.2156 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) antazoline pancreatic_cancer GAP_HIGH 0.2155 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) l-cysteine migraine GAP_HIGH 0.2155 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine osteoporosis GAP_HIGH 0.2155 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine ovarian_cancer GAP_HIGH 0.2155 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine uterine_cancer GAP_HIGH 0.2155 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) disopyramide chronic_kidney_failure GAP_HIGH 0.2155 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in chronic_kidney_failure cell model. Expected: similar to propiomazine (Jaccard=0.50) methocarbamol multiple_sclerosis GAP_HIGH 0.2155 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in multiple_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol osteoporosis GAP_HIGH 0.2155 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in osteoporosis cell model. Expected: similar to propranolol (Jaccard=0.50) methocarbamol psoriasis GAP_HIGH 0.2155 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in psoriasis cell model. Expected: similar to propranolol (Jaccard=0.50) l-cysteine sarcoma GAP_HIGH 0.2154 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.62) allylestrenol gout GAP_HIGH 0.2154 0.5555555555555556 desogestrel High-priority: Binding assay allylestrenol→?; validate in gout cell model. Expected: similar to desogestrel (Jaccard=0.56) norelgestromin germ_cell_cancer GAP_HIGH 0.2154 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in germ_cell_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) methocarbamol sarcoma GAP_HIGH 0.2154 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.50) riboflavin uterine_fibroid GAP_HIGH 0.2154 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in uterine_fibroid cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) dextropropoxyphene restless_legs_syndrome GAP_HIGH 0.2154 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in restless_legs_syndrome cell model. Expected: similar to propiomazine (Jaccard=0.40) methylphenobarbital barretts_esophagus GAP_LOW 0.2154 0.08333333333333333 pantoprazole Low-priority: Computational docking methylphenobarbital vs barretts_esophagus targets. Cross-check methylphenobarbital pharmacophore against barretts_esophagus pathway. fenbufen systemic_scleroderma GAP_HIGH 0.2153 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in systemic_scleroderma cell model. Expected: similar to phenindione (Jaccard=0.67) carprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.2153 0.5384615384615384 sotalol High-priority: Binding assay carprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.54) zolpidem epilepsy_syndrome GAP_HIGH 0.2153 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in epilepsy_syndrome cell model. Expected: similar to ketorolac (Jaccard=0.50) dextropropoxyphene vitiligo GAP_HIGH 0.2153 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in vitiligo cell model. Expected: similar to propiomazine (Jaccard=0.40) l-cystine uterine_fibroid GAP_HIGH 0.2153 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.32) levonorgestrel ankylosing_spondylitis GAP_HIGH 0.2152 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in ankylosing_spondylitis cell model. Expected: similar to desogestrel (Jaccard=0.67) glutethimide thyroid_cancer GAP_HIGH 0.2152 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol systemic_lupus_erythematosus GAP_HIGH 0.2152 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to propranolol (Jaccard=0.50) dextrothyroxine larynx_cancer GAP_HIGH 0.2152 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) doxylamine narcolepsy GAP_HIGH 0.2151 0.6 disopyramide High-priority: Binding assay doxylamine→?; validate in narcolepsy cell model. Expected: similar to disopyramide (Jaccard=0.60) diphenidol ankylosing_spondylitis GAP_HIGH 0.2151 0.5714285714285714 mepenzolate High-priority: Binding assay diphenidol→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.57) nandrolone_phenpropionate hematologic_cancer GAP_HIGH 0.2151 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in hematologic_cancer cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol hematologic_cancer GAP_HIGH 0.2151 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in hematologic_cancer cell model. Expected: similar to ethynodiol (Jaccard=0.56) glutethimide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2151 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.52) dextropropoxyphene rheumatoid_arthritis GAP_HIGH 0.2151 0.4 propiomazine High-priority: Binding assay dextropropoxyphene→?; validate in rheumatoid_arthritis cell model. Expected: similar to propiomazine (Jaccard=0.40) antazoline systemic_lupus_erythematosus GAP_HIGH 0.215 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to bepridil (Jaccard=0.67) fenbufen restless_legs_syndrome GAP_HIGH 0.215 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in restless_legs_syndrome cell model. Expected: similar to phenindione (Jaccard=0.67) l-cysteine osteoarthritis GAP_HIGH 0.215 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine skin_cancer GAP_HIGH 0.215 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) stanozolol melanoma GAP_HIGH 0.215 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in melanoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) methocarbamol skin_cancer GAP_HIGH 0.215 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) l-cystine polycystic_ovary_syndrome GAP_HIGH 0.215 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.32) carboprost_tromethamine dilated_cardiomyopathy GAP_HIGH 0.215 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) antipyrine ankylosing_spondylitis GAP_HIGH 0.2149 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to ethotoin (Jaccard=0.68) l-cysteine testicular_cancer GAP_HIGH 0.2149 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine vaginal_cancer GAP_HIGH 0.2149 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) l-cysteine vulva_cancer GAP_HIGH 0.2149 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) glutethimide pancreatitis GAP_HIGH 0.2149 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in pancreatitis cell model. Expected: similar to phenytoin (Jaccard=0.52) methocarbamol testicular_cancer GAP_HIGH 0.2149 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in testicular_cancer cell model. Expected: similar to propranolol (Jaccard=0.50) pyrimethamine kidney_cancer GAP_HIGH 0.2149 0.375 clofibrate High-priority: Binding assay pyrimethamine→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.38) antazoline skin_cancer GAP_HIGH 0.2148 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) l-cysteine vascular_cancer GAP_HIGH 0.2148 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.62) phenmetrazine penile_cancer GAP_HIGH 0.2148 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) carprofen hematologic_cancer GAP_HIGH 0.2148 0.5384615384615384 sotalol High-priority: Binding assay carprofen→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) lercanidipine rheumatoid_arthritis GAP_HIGH 0.2148 0.5 amlodipine High-priority: Binding assay lercanidipine→?; validate in rheumatoid_arthritis cell model. Expected: similar to amlodipine (Jaccard=0.50) riboflavin rheumatoid_arthritis GAP_HIGH 0.2148 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in rheumatoid_arthritis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) pyrimethamine nephrolithiasis GAP_HIGH 0.2148 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.38) aminophenazone malaria GAP_HIGH 0.2148 0.3333333333333333 primidone High-priority: Binding assay aminophenazone→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.33) glutethimide muscle_cancer GAP_HIGH 0.2147 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) papaverine focal_segmental_glomerulosclerosis GAP_HIGH 0.2147 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bevantolol (Jaccard=0.45) l-cystine rheumatoid_arthritis GAP_HIGH 0.2147 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.32) antazoline vascular_cancer GAP_HIGH 0.2146 0.6666666666666666 bepridil High-priority: Binding assay antazoline→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.67) ephedrine creutzfeldt-jakob_disease GAP_HIGH 0.2146 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to diethylpropion (Jaccard=0.58) glutethimide lung_cancer GAP_HIGH 0.2146 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) riboflavin psoriatic_arthritis GAP_HIGH 0.2146 0.48484848484848486 adenosine_triphosphate High-priority: Binding assay riboflavin→?; validate in psoriatic_arthritis cell model. Expected: similar to adenosine_triphosphate (Jaccard=0.48) equilin penile_cancer GAP_HIGH 0.2146 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in penile_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) l-cysteine uterine_fibroid GAP_HIGH 0.2145 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.62) agomelatine celiac_disease GAP_HIGH 0.2145 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in celiac_disease cell model. Expected: similar to bromfenac (Jaccard=0.53) glutethimide parkinsons_disease GAP_HIGH 0.2145 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in parkinsons_disease cell model. Expected: similar to phenytoin (Jaccard=0.52) l-cystine psoriatic_arthritis GAP_HIGH 0.2145 0.3220338983050847 l-serine High-priority: Binding assay l-cystine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.32) fenbufen psoriatic_arthritis GAP_HIGH 0.2144 0.6666666666666666 phenindione High-priority: Binding assay fenbufen→?; validate in psoriatic_arthritis cell model. Expected: similar to phenindione (Jaccard=0.67) glutethimide amyotrophic_lateral_sclerosis GAP_HIGH 0.2144 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to phenytoin (Jaccard=0.52) glutethimide nicotine_dependence GAP_HIGH 0.2144 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in nicotine_dependence cell model. Expected: similar to phenytoin (Jaccard=0.52) methohexital malignant_mesothelioma GAP_HIGH 0.2144 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.35) stanozolol pharynx_cancer GAP_HIGH 0.2143 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in pharynx_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) sulfaphenazole malaria GAP_HIGH 0.2143 0.55 sulfapyridine High-priority: Binding assay sulfaphenazole→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.55) glutethimide urinary_bladder_cancer GAP_HIGH 0.2143 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) zolpidem attention_deficit_hyperactivity_disorder GAP_HIGH 0.2143 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ketorolac (Jaccard=0.50) acetic_acid larynx_cancer GAP_HIGH 0.2143 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in larynx_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) l-cysteine polycystic_ovary_syndrome GAP_HIGH 0.2142 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.62) stanozolol ankylosing_spondylitis GAP_HIGH 0.2142 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in ankylosing_spondylitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glipizide osteoporosis GAP_HIGH 0.2142 0.5 chlorpropamide High-priority: Binding assay glipizide→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.50) stanozolol thyroid_cancer GAP_HIGH 0.2141 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in thyroid_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) disopyramide membranous_glomerulonephritis GAP_HIGH 0.2141 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.50) methocarbamol vitiligo GAP_HIGH 0.2141 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in vitiligo cell model. Expected: similar to propranolol (Jaccard=0.50) papaverine glaucoma GAP_HIGH 0.2141 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.45) candesartan azoospermia GAP_HIGH 0.2141 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in azoospermia cell model. Expected: similar to ospemifene (Jaccard=0.43) l-methionine glaucoma GAP_HIGH 0.214 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.60) norelgestromin meningioma GAP_HIGH 0.214 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in meningioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) stanozolol chronic_obstructive_pulmonary_disease GAP_HIGH 0.214 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) zolpidem conduct_disorder GAP_HIGH 0.214 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in conduct_disorder cell model. Expected: similar to ketorolac (Jaccard=0.50) zolpidem panic_disorder GAP_HIGH 0.214 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in panic_disorder cell model. Expected: similar to ketorolac (Jaccard=0.50) zolpidem schizophrenia GAP_HIGH 0.214 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in schizophrenia cell model. Expected: similar to ketorolac (Jaccard=0.50) l-cysteine rheumatoid_arthritis GAP_HIGH 0.2139 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.62) ephedrine epilepsy_syndrome GAP_HIGH 0.2139 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in epilepsy_syndrome cell model. Expected: similar to diethylpropion (Jaccard=0.58) methocarbamol rheumatoid_arthritis GAP_HIGH 0.2139 0.5 propranolol High-priority: Binding assay methocarbamol→?; validate in rheumatoid_arthritis cell model. Expected: similar to propranolol (Jaccard=0.50) zolpidem hypertension GAP_HIGH 0.2139 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in hypertension cell model. Expected: similar to ketorolac (Jaccard=0.50) cilazapril dilated_cardiomyopathy GAP_HIGH 0.2139 0.375 trandolapril High-priority: Binding assay cilazapril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.38) dimetindene gout GAP_HIGH 0.2138 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in gout cell model. Expected: similar to doxepin (Jaccard=0.62) glutethimide hypertension GAP_HIGH 0.2138 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in hypertension cell model. Expected: similar to phenytoin (Jaccard=0.52) zolpidem bipolar_disorder GAP_HIGH 0.2138 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in bipolar_disorder cell model. Expected: similar to ketorolac (Jaccard=0.50) zolpidem endogenous_depression GAP_HIGH 0.2138 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in endogenous_depression cell model. Expected: similar to ketorolac (Jaccard=0.50) hydrochlorothiazide hypertension GAP_HIGH 0.2138 0.45454545454545453 polythiazide High-priority: Binding assay hydrochlorothiazide→?; validate in hypertension cell model. Expected: similar to polythiazide (Jaccard=0.45) methylphenobarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.2138 0.45454545454545453 remifentanil High-priority: Binding assay methylphenobarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.45) equilin meningioma GAP_HIGH 0.2138 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in meningioma cell model. Expected: similar to methimazole (Jaccard=0.33) propericiazine hematologic_cancer GAP_HIGH 0.2137 0.8333333333333334 thioproperazine High-priority: Binding assay propericiazine→?; validate in hematologic_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.83) l-cysteine psoriatic_arthritis GAP_HIGH 0.2137 0.6229508196721312 l-serine High-priority: Binding assay l-cysteine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.62) stanozolol salivary_gland_cancer GAP_HIGH 0.2137 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in salivary_gland_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide pancreatic_cancer GAP_HIGH 0.2137 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in pancreatic_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) glutethimide stomach_cancer GAP_HIGH 0.2137 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in stomach_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) zolpidem multiple_sclerosis GAP_HIGH 0.2137 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in multiple_sclerosis cell model. Expected: similar to ketorolac (Jaccard=0.50) pasireotide crohns_disease GAP_HIGH 0.2137 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in crohns_disease cell model. Expected: similar to deferasirox (Jaccard=0.33) levonorgestrel allergic_rhinitis GAP_HIGH 0.2136 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in allergic_rhinitis cell model. Expected: similar to desogestrel (Jaccard=0.67) levonorgestrel atopic_dermatitis GAP_HIGH 0.2136 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in atopic_dermatitis cell model. Expected: similar to desogestrel (Jaccard=0.67) dimetindene coronary_artery_disease GAP_HIGH 0.2136 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in coronary_artery_disease cell model. Expected: similar to doxepin (Jaccard=0.62) dimetindene narcolepsy GAP_HIGH 0.2136 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in narcolepsy cell model. Expected: similar to doxepin (Jaccard=0.62) stanozolol muscle_cancer GAP_HIGH 0.2136 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in muscle_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide psoriasis GAP_HIGH 0.2136 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in psoriasis cell model. Expected: similar to phenytoin (Jaccard=0.52) pemetrexed hypertension GAP_HIGH 0.2136 0.5 trimethoprim High-priority: Binding assay pemetrexed→?; validate in hypertension cell model. Expected: similar to trimethoprim (Jaccard=0.50) prednisolone idiopathic_pulmonary_fibrosis GAP_HIGH 0.2135 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to loteprednol (Jaccard=0.75) prochlorperazine focal_segmental_glomerulosclerosis GAP_HIGH 0.2135 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to mequitazine (Jaccard=0.75) nandrolone_phenpropionate ankylosing_spondylitis GAP_HIGH 0.2135 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol ankylosing_spondylitis GAP_HIGH 0.2135 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in ankylosing_spondylitis cell model. Expected: similar to ethynodiol (Jaccard=0.56) antipyrine asthma GAP_HIGH 0.2134 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in asthma cell model. Expected: similar to ethotoin (Jaccard=0.68) antipyrine atopic_dermatitis GAP_HIGH 0.2134 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in atopic_dermatitis cell model. Expected: similar to ethotoin (Jaccard=0.68) antipyrine conduct_disorder GAP_HIGH 0.2134 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in conduct_disorder cell model. Expected: similar to ethotoin (Jaccard=0.68) diphenidol ulcerative_colitis GAP_HIGH 0.2134 0.5714285714285714 mepenzolate High-priority: Binding assay diphenidol→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.57) stanozolol ocular_cancer GAP_HIGH 0.2134 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in ocular_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide sarcoma GAP_HIGH 0.2134 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.52) nelarabine penile_cancer GAP_HIGH 0.2134 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) alpha-linolenic_acid barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking alpha-linolenic_acid vs barretts_esophagus targets. Cross-check alpha-linolenic_acid pharmacophore against barretts_esophagus pathway. dronedarone barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking dronedarone vs barretts_esophagus targets. Cross-check dronedarone pharmacophore against barretts_esophagus pathway. l-cystine barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking l-cystine vs barretts_esophagus targets. Cross-check l-cystine pharmacophore against barretts_esophagus pathway. orlistat barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking orlistat vs barretts_esophagus targets. Cross-check orlistat pharmacophore against barretts_esophagus pathway. sodium_lauryl_sulfate barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking sodium_lauryl_sulfate vs barretts_esophagus targets. Cross-check sodium_lauryl_sulfate pharmacophore against barretts_esophagus pathway. succinic_acid barretts_esophagus GAP_LOW 0.2134 0.0 pantoprazole Low-priority: Computational docking succinic_acid vs barretts_esophagus targets. Cross-check succinic_acid pharmacophore against barretts_esophagus pathway. antipyrine allergic_rhinitis GAP_HIGH 0.2133 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in allergic_rhinitis cell model. Expected: similar to ethotoin (Jaccard=0.68) levonorgestrel multiple_sclerosis GAP_HIGH 0.2133 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in multiple_sclerosis cell model. Expected: similar to desogestrel (Jaccard=0.67) ephedrine alzheimers_disease GAP_HIGH 0.2133 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in alzheimers_disease cell model. Expected: similar to diethylpropion (Jaccard=0.58) pemetrexed migraine GAP_HIGH 0.2133 0.5 trimethoprim High-priority: Binding assay pemetrexed→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.50) zolpidem metabolic_syndrome_x GAP_HIGH 0.2133 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in metabolic_syndrome_x cell model. Expected: similar to ketorolac (Jaccard=0.50) spirapril hepatitis_b GAP_HIGH 0.2133 0.375 trandolapril High-priority: Binding assay spirapril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.38) prednisolone gout GAP_HIGH 0.2132 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in gout cell model. Expected: similar to loteprednol (Jaccard=0.75) ephedrine amyotrophic_lateral_sclerosis GAP_HIGH 0.2132 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diethylpropion (Jaccard=0.58) ephedrine parkinsons_disease GAP_HIGH 0.2132 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in parkinsons_disease cell model. Expected: similar to diethylpropion (Jaccard=0.58) glutethimide systemic_lupus_erythematosus GAP_HIGH 0.2132 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.52) antipyrine migraine GAP_HIGH 0.2131 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in migraine cell model. Expected: similar to ethotoin (Jaccard=0.68) antipyrine multiple_sclerosis GAP_HIGH 0.2131 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in multiple_sclerosis cell model. Expected: similar to ethotoin (Jaccard=0.68) antipyrine osteoporosis GAP_HIGH 0.2131 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in osteoporosis cell model. Expected: similar to ethotoin (Jaccard=0.68) levonorgestrel systemic_lupus_erythematosus GAP_HIGH 0.2131 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desogestrel (Jaccard=0.67) fenbufen azoospermia GAP_HIGH 0.2131 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in azoospermia cell model. Expected: similar to oxaprozin (Jaccard=0.62) stanozolol peripheral_nervous_system_neoplasm GAP_HIGH 0.2131 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide metabolic_syndrome_x GAP_HIGH 0.2131 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenytoin (Jaccard=0.52) methohexital prostate_cancer GAP_HIGH 0.2131 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) prednisolone hematologic_cancer GAP_HIGH 0.213 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in hematologic_cancer cell model. Expected: similar to loteprednol (Jaccard=0.75) norelgestromin gout GAP_HIGH 0.213 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in gout cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) carprofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.213 0.5384615384615384 sotalol High-priority: Binding assay carprofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.54) glutethimide skin_cancer GAP_HIGH 0.213 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) atenolol idiopathic_pulmonary_fibrosis GAP_HIGH 0.2129 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.62) estazolam alcohol_dependence GAP_HIGH 0.2129 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.56) phenmetrazine coronary_artery_disease GAP_HIGH 0.2129 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.56) glutethimide testicular_cancer GAP_HIGH 0.2129 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in testicular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) pemetrexed metabolic_syndrome_x GAP_HIGH 0.2129 0.5 trimethoprim High-priority: Binding assay pemetrexed→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.50) zolpidem obesity GAP_HIGH 0.2129 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in obesity cell model. Expected: similar to ketorolac (Jaccard=0.50) methohexital mediastinal_cancer GAP_HIGH 0.2129 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin mediastinal_cancer GAP_HIGH 0.2129 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide coronary_artery_disease GAP_HIGH 0.2129 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in coronary_artery_disease cell model. Expected: similar to deferasirox (Jaccard=0.33) polythiazide esophageal_cancer GAP_HIGH 0.2129 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) levonorgestrel osteoarthritis GAP_HIGH 0.2128 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in osteoarthritis cell model. Expected: similar to desogestrel (Jaccard=0.67) norelgestromin hematologic_cancer GAP_HIGH 0.2128 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in hematologic_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) glutethimide vascular_cancer GAP_HIGH 0.2128 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in vascular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.52) methohexital thymus_cancer GAP_HIGH 0.2128 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin thymus_cancer GAP_HIGH 0.2128 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) atenolol esophageal_cancer GAP_HIGH 0.2127 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.58) quinacrine narcolepsy GAP_HIGH 0.2127 0.56 chlorpromazine High-priority: Binding assay quinacrine→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.56) stanozolol atopic_dermatitis GAP_HIGH 0.2127 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in atopic_dermatitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide obesity GAP_HIGH 0.2127 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in obesity cell model. Expected: similar to phenytoin (Jaccard=0.52) equilin coronary_artery_disease GAP_HIGH 0.2127 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in coronary_artery_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.33) antipyrine osteoarthritis GAP_HIGH 0.2126 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in osteoarthritis cell model. Expected: similar to ethotoin (Jaccard=0.68) doxylamine alzheimers_disease GAP_HIGH 0.2126 0.6 disopyramide High-priority: Binding assay doxylamine→?; validate in alzheimers_disease cell model. Expected: similar to disopyramide (Jaccard=0.60) doxylamine parkinsons_disease GAP_HIGH 0.2126 0.6 disopyramide High-priority: Binding assay doxylamine→?; validate in parkinsons_disease cell model. Expected: similar to disopyramide (Jaccard=0.60) ephedrine asthma GAP_HIGH 0.2126 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in asthma cell model. Expected: similar to diethylpropion (Jaccard=0.58) stanozolol allergic_rhinitis GAP_HIGH 0.2126 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in allergic_rhinitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide systemic_scleroderma GAP_HIGH 0.2126 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in systemic_scleroderma cell model. Expected: similar to phenytoin (Jaccard=0.52) gliclazide type_2_diabetes_mellitus GAP_HIGH 0.2125 0.6666666666666666 gliquidone High-priority: Binding assay gliclazide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.67) pemetrexed obesity GAP_HIGH 0.2125 0.5 trimethoprim High-priority: Binding assay pemetrexed→?; validate in obesity cell model. Expected: similar to trimethoprim (Jaccard=0.50) papaverine chronic_kidney_failure GAP_HIGH 0.2125 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in chronic_kidney_failure cell model. Expected: similar to bevantolol (Jaccard=0.45) butabarbital atherosclerosis GAP_HIGH 0.2125 0.36666666666666664 flurbiprofen High-priority: Binding assay butabarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.37) nelarabine meningioma GAP_HIGH 0.2125 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.33) succinic_acid narcolepsy GAP_HIGH 0.2125 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in narcolepsy cell model. Expected: similar to l-asparagine (Jaccard=0.31) dimetindene creutzfeldt-jakob_disease GAP_HIGH 0.2124 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to doxepin (Jaccard=0.62) atenolol hematologic_cancer GAP_HIGH 0.2124 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.62) stanozolol multiple_sclerosis GAP_HIGH 0.2124 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in multiple_sclerosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) stanozolol psoriasis GAP_HIGH 0.2124 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in psoriasis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) alprazolam gilles_de_la_tourette_syndrome GAP_HIGH 0.2124 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) ranolazine focal_segmental_glomerulosclerosis GAP_HIGH 0.2124 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propranolol (Jaccard=0.44) ephedrine multiple_sclerosis GAP_HIGH 0.2123 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in multiple_sclerosis cell model. Expected: similar to diethylpropion (Jaccard=0.58) stanozolol sarcoma GAP_HIGH 0.2123 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in sarcoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) zolpidem type_2_diabetes_mellitus GAP_HIGH 0.2123 0.5 ketorolac High-priority: Binding assay zolpidem→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to ketorolac (Jaccard=0.50) pyrimethamine penile_cancer GAP_HIGH 0.2123 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) mepyramine systemic_lupus_erythematosus GAP_HIGH 0.2122 0.625 tripelennamine High-priority: Binding assay mepyramine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to tripelennamine (Jaccard=0.62) glutethimide polycystic_ovary_syndrome GAP_HIGH 0.2122 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenytoin (Jaccard=0.52) glutethimide type_2_diabetes_mellitus GAP_HIGH 0.2122 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenytoin (Jaccard=0.52) hydrochlorothiazide epilepsy_syndrome GAP_HIGH 0.2122 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in epilepsy_syndrome cell model. Expected: similar to methyclothiazide (Jaccard=0.44) stanozolol systemic_lupus_erythematosus GAP_HIGH 0.2121 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) glutethimide vitiligo GAP_HIGH 0.2121 0.5172413793103449 phenytoin High-priority: Binding assay glutethimide→?; validate in vitiligo cell model. Expected: similar to phenytoin (Jaccard=0.52) dimetindene ankylosing_spondylitis GAP_HIGH 0.212 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in ankylosing_spondylitis cell model. Expected: similar to doxepin (Jaccard=0.62) allylestrenol atopic_dermatitis GAP_HIGH 0.212 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in atopic_dermatitis cell model. Expected: similar to ethynodiol (Jaccard=0.56) phenmetrazine melanoma GAP_HIGH 0.212 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.56) pemetrexed restless_legs_syndrome GAP_HIGH 0.212 0.5 trimethoprim High-priority: Binding assay pemetrexed→?; validate in restless_legs_syndrome cell model. Expected: similar to trimethoprim (Jaccard=0.50) talbutal breast_cancer GAP_HIGH 0.212 0.4 primidone High-priority: Binding assay talbutal→?; validate in breast_cancer cell model. Expected: similar to primidone (Jaccard=0.40) nandrolone_phenpropionate allergic_rhinitis GAP_HIGH 0.2119 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in allergic_rhinitis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) nandrolone_phenpropionate atopic_dermatitis GAP_HIGH 0.2119 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in atopic_dermatitis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol allergic_rhinitis GAP_HIGH 0.2119 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in allergic_rhinitis cell model. Expected: similar to ethynodiol (Jaccard=0.56) stanozolol osteoarthritis GAP_HIGH 0.2119 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in osteoarthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) stanozolol skin_cancer GAP_HIGH 0.2119 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in skin_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) amodiaquine gilles_de_la_tourette_syndrome GAP_HIGH 0.2119 0.46153846153846156 loxapine High-priority: Binding assay amodiaquine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.46) equilin melanoma GAP_HIGH 0.2119 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in melanoma cell model. Expected: similar to methimazole (Jaccard=0.33) nelarabine prostate_cancer GAP_HIGH 0.2119 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) dimetindene epilepsy_syndrome GAP_HIGH 0.2118 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in epilepsy_syndrome cell model. Expected: similar to doxepin (Jaccard=0.62) methohexital melanoma GAP_HIGH 0.2118 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.35) levonorgestrel rheumatoid_arthritis GAP_HIGH 0.2117 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in rheumatoid_arthritis cell model. Expected: similar to desogestrel (Jaccard=0.67) nandrolone_phenpropionate psoriasis GAP_HIGH 0.2117 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in psoriasis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol multiple_sclerosis GAP_HIGH 0.2117 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in multiple_sclerosis cell model. Expected: similar to ethynodiol (Jaccard=0.56) allylestrenol psoriasis GAP_HIGH 0.2117 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in psoriasis cell model. Expected: similar to ethynodiol (Jaccard=0.56) stanozolol vascular_cancer GAP_HIGH 0.2117 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in vascular_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) carprofen breast_cancer GAP_HIGH 0.2117 0.5384615384615384 sotalol High-priority: Binding assay carprofen→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) ranolazine glaucoma GAP_HIGH 0.2117 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in glaucoma cell model. Expected: similar to propranolol (Jaccard=0.44) dimetindene pancreatitis GAP_HIGH 0.2116 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in pancreatitis cell model. Expected: similar to doxepin (Jaccard=0.62) nandrolone_phenpropionate multiple_sclerosis GAP_HIGH 0.2116 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in multiple_sclerosis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) phenmetrazine creutzfeldt-jakob_disease GAP_HIGH 0.2116 0.5555555555555556 tranylcypromine High-priority: Binding assay phenmetrazine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) carprofen atopic_dermatitis GAP_HIGH 0.2116 0.5384615384615384 sotalol High-priority: Binding assay carprofen→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.54) doxapram type_1_diabetes_mellitus GAP_HIGH 0.2116 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.44) perphenazine gilles_de_la_tourette_syndrome GAP_HIGH 0.2115 0.8181818181818182 propericiazine High-priority: Binding assay perphenazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to propericiazine (Jaccard=0.82) antipyrine rheumatoid_arthritis GAP_HIGH 0.2115 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.68) levonorgestrel psoriatic_arthritis GAP_HIGH 0.2115 0.6666666666666666 desogestrel High-priority: Binding assay levonorgestrel→?; validate in psoriatic_arthritis cell model. Expected: similar to desogestrel (Jaccard=0.67) mepyramine systemic_scleroderma GAP_HIGH 0.2115 0.625 tripelennamine High-priority: Binding assay mepyramine→?; validate in systemic_scleroderma cell model. Expected: similar to tripelennamine (Jaccard=0.62) stanozolol systemic_scleroderma GAP_HIGH 0.2115 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in systemic_scleroderma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) hydrochlorothiazide autistic_disorder GAP_HIGH 0.2115 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in autistic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.44) hydrochlorothiazide parkinsons_disease GAP_HIGH 0.2115 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in parkinsons_disease cell model. Expected: similar to methyclothiazide (Jaccard=0.44) equilin creutzfeldt-jakob_disease GAP_HIGH 0.2115 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.33) ephedrine systemic_scleroderma GAP_HIGH 0.2114 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in systemic_scleroderma cell model. Expected: similar to diethylpropion (Jaccard=0.58) nandrolone_phenpropionate systemic_lupus_erythematosus GAP_HIGH 0.2114 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) allylestrenol systemic_lupus_erythematosus GAP_HIGH 0.2114 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to ethynodiol (Jaccard=0.56) papaverine azoospermia GAP_HIGH 0.2114 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in azoospermia cell model. Expected: similar to bevantolol (Jaccard=0.45) hydrochlorothiazide amyotrophic_lateral_sclerosis GAP_HIGH 0.2114 0.4444444444444444 quinethazone High-priority: Binding assay hydrochlorothiazide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.44) heptabarbital kidney_cancer GAP_HIGH 0.2114 0.4 quinacrine High-priority: Binding assay heptabarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.40) prednisolone ankylosing_spondylitis GAP_HIGH 0.2113 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in ankylosing_spondylitis cell model. Expected: similar to loteprednol (Jaccard=0.75) prochlorperazine chronic_kidney_failure GAP_HIGH 0.2113 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in chronic_kidney_failure cell model. Expected: similar to mequitazine (Jaccard=0.75) antipyrine psoriatic_arthritis GAP_HIGH 0.2113 0.6818181818181818 ethotoin High-priority: Binding assay antipyrine→?; validate in psoriatic_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.68) disopyramide coronary_artery_disease GAP_HIGH 0.2113 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in coronary_artery_disease cell model. Expected: similar to propiomazine (Jaccard=0.50) adenosine osteoporosis GAP_HIGH 0.2113 0.47368421052631576 vidarabine High-priority: Binding assay adenosine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.47) nitisinone duodenum_cancer GAP_HIGH 0.2113 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in duodenum_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone gallbladder_cancer GAP_HIGH 0.2113 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in gallbladder_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) prednisolone chronic_obstructive_pulmonary_disease GAP_HIGH 0.2112 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loteprednol (Jaccard=0.75) allylestrenol osteoarthritis GAP_HIGH 0.2112 0.5555555555555556 desogestrel High-priority: Binding assay allylestrenol→?; validate in osteoarthritis cell model. Expected: similar to desogestrel (Jaccard=0.56) norelgestromin ankylosing_spondylitis GAP_HIGH 0.2112 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in ankylosing_spondylitis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) sulpiride gout GAP_HIGH 0.2112 0.5 tolazamide High-priority: Binding assay sulpiride→?; validate in gout cell model. Expected: similar to tolazamide (Jaccard=0.50) papaverine membranous_glomerulonephritis GAP_HIGH 0.2112 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bevantolol (Jaccard=0.45) trifluridine hematologic_cancer GAP_HIGH 0.2112 0.38461538461538464 floxuridine High-priority: Binding assay trifluridine→?; validate in hematologic_cancer cell model. Expected: similar to floxuridine (Jaccard=0.38) equilin pharynx_cancer GAP_HIGH 0.2112 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide ankylosing_spondylitis GAP_HIGH 0.2112 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in ankylosing_spondylitis cell model. Expected: similar to deferasirox (Jaccard=0.33) quinapril dilated_cardiomyopathy GAP_HIGH 0.2112 0.3333333333333333 trandolapril High-priority: Binding assay quinapril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.33) dimetindene alzheimers_disease GAP_HIGH 0.2111 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in alzheimers_disease cell model. Expected: similar to doxepin (Jaccard=0.62) dimetindene parkinsons_disease GAP_HIGH 0.2111 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in parkinsons_disease cell model. Expected: similar to doxepin (Jaccard=0.62) phenmetrazine thyroid_cancer GAP_HIGH 0.2111 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) agomelatine crohns_disease GAP_HIGH 0.2111 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in crohns_disease cell model. Expected: similar to bromfenac (Jaccard=0.53) triamterene kidney_cancer GAP_HIGH 0.2111 0.375 clofibrate High-priority: Binding assay triamterene→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.38) dimetindene amyotrophic_lateral_sclerosis GAP_HIGH 0.211 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to doxepin (Jaccard=0.62) ephedrine polycystic_ovary_syndrome GAP_HIGH 0.211 0.5833333333333334 diethylpropion High-priority: Binding assay ephedrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to diethylpropion (Jaccard=0.58) norelgestromin chronic_obstructive_pulmonary_disease GAP_HIGH 0.211 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.211 0.5555555555555556 tranylcypromine High-priority: Binding assay phenmetrazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) stanozolol vitiligo GAP_HIGH 0.211 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in vitiligo cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) triamterene nephrolithiasis GAP_HIGH 0.211 0.375 probenecid High-priority: Binding assay triamterene→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.38) pasireotide epilepsy_syndrome GAP_HIGH 0.211 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in epilepsy_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.33) acetic_acid intracranial_aneurysm GAP_HIGH 0.211 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in intracranial_aneurysm cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine head_and_neck_cancer GAP_HIGH 0.211 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) fenbufen crohns_disease GAP_HIGH 0.2109 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.62) nandrolone_phenpropionate vascular_cancer GAP_HIGH 0.2109 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in vascular_cancer cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) adenine thyroid_cancer GAP_HIGH 0.2109 0.5 tioguanine High-priority: Binding assay adenine→?; validate in thyroid_cancer cell model. Expected: similar to tioguanine (Jaccard=0.50) hydrochlorothiazide conduct_disorder GAP_HIGH 0.2109 0.4444444444444444 quinethazone High-priority: Binding assay hydrochlorothiazide→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.44) hydrochlorothiazide panic_disorder GAP_HIGH 0.2109 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in panic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.44) hydrochlorothiazide schizophrenia GAP_HIGH 0.2109 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in schizophrenia cell model. Expected: similar to methyclothiazide (Jaccard=0.44) methohexital thyroid_cancer GAP_HIGH 0.2109 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin thyroid_cancer GAP_HIGH 0.2109 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in thyroid_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) salbutamol pharynx_cancer GAP_HIGH 0.2108 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) allylestrenol systemic_scleroderma GAP_HIGH 0.2108 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in systemic_scleroderma cell model. Expected: similar to ethynodiol (Jaccard=0.56) phenmetrazine pancreatitis GAP_HIGH 0.2108 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in pancreatitis cell model. Expected: similar to probenecid (Jaccard=0.56) stanozolol rheumatoid_arthritis GAP_HIGH 0.2108 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in rheumatoid_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) adenosine osteoarthritis GAP_HIGH 0.2108 0.47368421052631576 vidarabine High-priority: Binding assay adenosine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.47) hydrochlorothiazide bipolar_disorder GAP_HIGH 0.2108 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in bipolar_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.44) nandrolone_phenpropionate systemic_scleroderma GAP_HIGH 0.2107 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in systemic_scleroderma cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) quinacrine pancreatitis GAP_HIGH 0.2107 0.56 chlorpromazine High-priority: Binding assay quinacrine→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.56) hydrochlorothiazide endogenous_depression GAP_HIGH 0.2107 0.4444444444444444 quinethazone High-priority: Binding assay hydrochlorothiazide→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.44) polythiazide kidney_cancer GAP_HIGH 0.2107 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) atenolol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2106 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.62) norelgestromin muscle_cancer GAP_HIGH 0.2106 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in muscle_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine muscle_cancer GAP_HIGH 0.2106 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) milnacipran malaria GAP_HIGH 0.2106 0.45454545454545453 methylphenobarbital High-priority: Binding assay milnacipran→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.45) hydrochlorothiazide multiple_sclerosis GAP_HIGH 0.2106 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in multiple_sclerosis cell model. Expected: similar to methyclothiazide (Jaccard=0.44) equilin pancreatitis GAP_HIGH 0.2106 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in pancreatitis cell model. Expected: similar to dextromethorphan (Jaccard=0.33) dimetindene breast_cancer GAP_HIGH 0.2105 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in breast_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) salbutamol thyroid_cancer GAP_HIGH 0.2105 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) phenmetrazine lung_cancer GAP_HIGH 0.2105 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) stanozolol psoriatic_arthritis GAP_HIGH 0.2105 0.5555555555555556 cortisone_acetate High-priority: Binding assay stanozolol→?; validate in psoriatic_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) hydrochlorothiazide migraine GAP_HIGH 0.2105 0.4444444444444444 quinethazone High-priority: Binding assay hydrochlorothiazide→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.44) ranolazine azoospermia GAP_HIGH 0.2105 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in azoospermia cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine refractive_error GAP_HIGH 0.2105 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.44) equilin salivary_gland_cancer GAP_HIGH 0.2105 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) nelarabine duodenum_cancer GAP_HIGH 0.2105 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) nelarabine gallbladder_cancer GAP_HIGH 0.2105 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) dimetindene colon_cancer GAP_HIGH 0.2104 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in colon_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) dimetindene stomach_cancer GAP_HIGH 0.2104 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in stomach_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) floxuridine malignant_mesothelioma GAP_HIGH 0.2104 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.57) norelgestromin ocular_cancer GAP_HIGH 0.2104 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in ocular_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) agomelatine primary_biliary_cirrhosis GAP_HIGH 0.2104 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.53) disopyramide duodenum_cancer GAP_HIGH 0.2104 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in duodenum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) disopyramide gallbladder_cancer GAP_HIGH 0.2104 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in gallbladder_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) trimethoprim larynx_cancer GAP_HIGH 0.2104 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) equilin muscle_cancer GAP_HIGH 0.2104 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in muscle_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) polythiazide celiac_disease GAP_HIGH 0.2104 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.33) dimetindene pancreatic_cancer GAP_HIGH 0.2103 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in pancreatic_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) dimetindene ulcerative_colitis GAP_HIGH 0.2103 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in ulcerative_colitis cell model. Expected: similar to doxepin (Jaccard=0.62) doxylamine polycystic_ovary_syndrome GAP_HIGH 0.2103 0.6 disopyramide High-priority: Binding assay doxylamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to disopyramide (Jaccard=0.60) phenmetrazine liver_cancer GAP_HIGH 0.2103 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) alprazolam chronic_kidney_failure GAP_HIGH 0.2103 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in chronic_kidney_failure cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) pyrimethamine coronary_artery_disease GAP_HIGH 0.2103 0.375 clofibrate High-priority: Binding assay pyrimethamine→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.38) pyrimethamine hematologic_cancer GAP_HIGH 0.2103 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.38) pyrimethamine narcolepsy GAP_HIGH 0.2103 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.38) equilin ocular_cancer GAP_HIGH 0.2103 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in ocular_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) equilin rectum_cancer GAP_HIGH 0.2103 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in rectum_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide alzheimers_disease GAP_HIGH 0.2103 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in alzheimers_disease cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide autistic_disorder GAP_HIGH 0.2103 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in autistic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide parkinsons_disease GAP_HIGH 0.2103 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in parkinsons_disease cell model. Expected: similar to deferasirox (Jaccard=0.33) dimetindene multiple_sclerosis GAP_HIGH 0.2102 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in multiple_sclerosis cell model. Expected: similar to doxepin (Jaccard=0.62) dimetindene ovarian_cancer GAP_HIGH 0.2102 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in ovarian_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) phenmetrazine amyotrophic_lateral_sclerosis GAP_HIGH 0.2102 0.5555555555555556 tranylcypromine High-priority: Binding assay phenmetrazine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) ranolazine chronic_kidney_failure GAP_HIGH 0.2102 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in chronic_kidney_failure cell model. Expected: similar to propranolol (Jaccard=0.44) equilin alzheimers_disease GAP_HIGH 0.2102 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in alzheimers_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin parkinsons_disease GAP_HIGH 0.2102 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in parkinsons_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.33) prochlorperazine azoospermia GAP_HIGH 0.2101 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in azoospermia cell model. Expected: similar to mequitazine (Jaccard=0.75) atenolol celiac_disease GAP_HIGH 0.2101 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.58) allylestrenol rheumatoid_arthritis GAP_HIGH 0.2101 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in rheumatoid_arthritis cell model. Expected: similar to ethynodiol (Jaccard=0.56) norelgestromin peripheral_nervous_system_neoplasm GAP_HIGH 0.2101 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine urinary_bladder_cancer GAP_HIGH 0.2101 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) equilin autistic_disorder GAP_HIGH 0.2101 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin nicotine_dependence GAP_HIGH 0.2101 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in nicotine_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.33) acetic_acid malignant_glioma GAP_HIGH 0.2101 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in malignant_glioma cell model. Expected: similar to hydroxyurea (Jaccard=0.25) fenbufen coronary_artery_disease GAP_HIGH 0.21 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in coronary_artery_disease cell model. Expected: similar to oxaprozin (Jaccard=0.62) fenbufen narcolepsy GAP_HIGH 0.21 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in narcolepsy cell model. Expected: similar to oxaprozin (Jaccard=0.62) nandrolone_phenpropionate rheumatoid_arthritis GAP_HIGH 0.21 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) cilazapril acquired_immunodeficiency_syndrome GAP_HIGH 0.21 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.38) pasireotide attention_deficit_hyperactivity_disorder GAP_HIGH 0.21 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to deferasirox (Jaccard=0.33) prednisolone asthma GAP_HIGH 0.2099 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in asthma cell model. Expected: similar to loteprednol (Jaccard=0.75) prochlorperazine membranous_glomerulonephritis GAP_HIGH 0.2099 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mequitazine (Jaccard=0.75) atenolol parkinsons_disease GAP_HIGH 0.2099 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in parkinsons_disease cell model. Expected: similar to sotalol (Jaccard=0.62) allylestrenol psoriatic_arthritis GAP_HIGH 0.2099 0.5555555555555556 ethynodiol High-priority: Binding assay allylestrenol→?; validate in psoriatic_arthritis cell model. Expected: similar to ethynodiol (Jaccard=0.56) propofol kidney_cancer GAP_HIGH 0.2099 0.42105263157894735 quinacrine High-priority: Binding assay propofol→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.42) spirapril type_1_diabetes_mellitus GAP_HIGH 0.2099 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.38) methohexital urinary_bladder_cancer GAP_HIGH 0.2099 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin attention_deficit_hyperactivity_disorder GAP_HIGH 0.2099 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin peripheral_nervous_system_neoplasm GAP_HIGH 0.2099 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methimazole (Jaccard=0.33) thiamylal azoospermia GAP_HIGH 0.2099 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in azoospermia cell model. Expected: similar to fosphenytoin (Jaccard=0.33) succinic_acid autistic_disorder GAP_HIGH 0.2099 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in autistic_disorder cell model. Expected: similar to l-asparagine (Jaccard=0.31) succinic_acid nicotine_dependence GAP_HIGH 0.2099 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in nicotine_dependence cell model. Expected: similar to l-asparagine (Jaccard=0.31) prednisolone atopic_dermatitis GAP_HIGH 0.2098 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in atopic_dermatitis cell model. Expected: similar to loteprednol (Jaccard=0.75) atenolol amyotrophic_lateral_sclerosis GAP_HIGH 0.2098 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to sotalol (Jaccard=0.62) alprazolam creutzfeldt-jakob_disease GAP_HIGH 0.2098 0.5714285714285714 estazolam High-priority: Binding assay alprazolam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.57) nandrolone_phenpropionate psoriatic_arthritis GAP_HIGH 0.2098 0.5714285714285714 cyproterone_acetate High-priority: Binding assay nandrolone_phenpropionate→?; validate in psoriatic_arthritis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.57) nilotinib nephrolithiasis GAP_HIGH 0.2098 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in nephrolithiasis cell model. Expected: similar to sunitinib (Jaccard=0.57) pasireotide panic_disorder GAP_HIGH 0.2098 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in panic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.33) fluocinonide psoriasis GAP_HIGH 0.2097 0.7692307692307693 rimexolone High-priority: Binding assay fluocinonide→?; validate in psoriasis cell model. Expected: similar to rimexolone (Jaccard=0.77) prednisolone allergic_rhinitis GAP_HIGH 0.2097 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in allergic_rhinitis cell model. Expected: similar to loteprednol (Jaccard=0.75) dimetindene skin_cancer GAP_HIGH 0.2097 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in skin_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) norelgestromin atopic_dermatitis GAP_HIGH 0.2097 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in atopic_dermatitis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine atopic_dermatitis GAP_HIGH 0.2097 0.5555555555555556 tranylcypromine High-priority: Binding assay phenmetrazine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) papaverine gilles_de_la_tourette_syndrome GAP_HIGH 0.2097 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.43) pasireotide asthma GAP_HIGH 0.2097 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in asthma cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide breast_cancer GAP_HIGH 0.2097 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in breast_cancer cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide conduct_disorder GAP_HIGH 0.2097 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in conduct_disorder cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide schizophrenia GAP_HIGH 0.2097 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in schizophrenia cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone lung_cancer GAP_HIGH 0.2097 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in lung_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone rectum_cancer GAP_HIGH 0.2097 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in rectum_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) prednisolone psoriasis GAP_HIGH 0.2096 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in psoriasis cell model. Expected: similar to loteprednol (Jaccard=0.75) prednisolone ulcerative_colitis GAP_HIGH 0.2096 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in ulcerative_colitis cell model. Expected: similar to loteprednol (Jaccard=0.75) norelgestromin allergic_rhinitis GAP_HIGH 0.2096 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in allergic_rhinitis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine hypertension GAP_HIGH 0.2096 0.5555555555555556 tranylcypromine High-priority: Binding assay phenmetrazine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.56) phenmetrazine stomach_cancer GAP_HIGH 0.2096 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) equilin panic_disorder GAP_HIGH 0.2096 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in panic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.33) pasireotide allergic_rhinitis GAP_HIGH 0.2096 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in allergic_rhinitis cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide bipolar_disorder GAP_HIGH 0.2096 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in bipolar_disorder cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide hypertension GAP_HIGH 0.2096 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in hypertension cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone liver_cancer GAP_HIGH 0.2096 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in liver_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) prednisolone multiple_sclerosis GAP_HIGH 0.2095 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in multiple_sclerosis cell model. Expected: similar to loteprednol (Jaccard=0.75) phenmetrazine pancreatic_cancer GAP_HIGH 0.2095 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in pancreatic_cancer cell model. Expected: similar to clofibrate (Jaccard=0.56) adenosine psoriatic_arthritis GAP_HIGH 0.2095 0.47368421052631576 vidarabine High-priority: Binding assay adenosine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.47) dronedarone kidney_cancer GAP_HIGH 0.2095 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) equilin breast_cancer GAP_HIGH 0.2095 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in breast_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin colon_cancer GAP_HIGH 0.2095 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in colon_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin conduct_disorder GAP_HIGH 0.2095 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in conduct_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.33) pasireotide endogenous_depression GAP_HIGH 0.2095 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in endogenous_depression cell model. Expected: similar to deferasirox (Jaccard=0.33) dimetindene vascular_cancer GAP_HIGH 0.2094 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in vascular_cancer cell model. Expected: similar to doxepin (Jaccard=0.62) sotalol salivary_gland_cancer GAP_HIGH 0.2094 0.6153846153846154 atenolol High-priority: Binding assay sotalol→?; validate in salivary_gland_cancer cell model. Expected: similar to atenolol (Jaccard=0.62) norelgestromin multiple_sclerosis GAP_HIGH 0.2094 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in multiple_sclerosis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) norelgestromin psoriasis GAP_HIGH 0.2094 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in psoriasis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine osteoporosis GAP_HIGH 0.2094 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in osteoporosis cell model. Expected: similar to probenecid (Jaccard=0.56) agomelatine melanoma GAP_HIGH 0.2094 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.53) dronedarone nephrolithiasis GAP_HIGH 0.2094 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.42) equilin bipolar_disorder GAP_HIGH 0.2094 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in bipolar_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin stomach_cancer GAP_HIGH 0.2094 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in stomach_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide multiple_sclerosis GAP_HIGH 0.2094 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in multiple_sclerosis cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide osteoporosis GAP_HIGH 0.2094 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in osteoporosis cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide psoriasis GAP_HIGH 0.2094 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in psoriasis cell model. Expected: similar to deferasirox (Jaccard=0.33) succinic_acid conduct_disorder GAP_HIGH 0.2094 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in conduct_disorder cell model. Expected: similar to l-asparagine (Jaccard=0.31) prednisolone systemic_lupus_erythematosus GAP_HIGH 0.2093 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to loteprednol (Jaccard=0.75) atenolol asthma GAP_HIGH 0.2093 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in asthma cell model. Expected: similar to sotalol (Jaccard=0.62) phenmetrazine sarcoma GAP_HIGH 0.2093 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in sarcoma cell model. Expected: similar to probenecid (Jaccard=0.56) agomelatine duodenum_cancer GAP_HIGH 0.2093 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine gallbladder_cancer GAP_HIGH 0.2093 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) hydrochlorothiazide restless_legs_syndrome GAP_HIGH 0.2093 0.4444444444444444 methyclothiazide High-priority: Binding assay hydrochlorothiazide→?; validate in restless_legs_syndrome cell model. Expected: similar to methyclothiazide (Jaccard=0.44) equilin endogenous_depression GAP_HIGH 0.2093 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in endogenous_depression cell model. Expected: similar to dextromethorphan (Jaccard=0.33) pasireotide migraine GAP_HIGH 0.2093 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in migraine cell model. Expected: similar to deferasirox (Jaccard=0.33) succinic_acid hypertension GAP_HIGH 0.2093 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in hypertension cell model. Expected: similar to l-asparagine (Jaccard=0.31) atenolol allergic_rhinitis GAP_HIGH 0.2092 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in allergic_rhinitis cell model. Expected: similar to sotalol (Jaccard=0.62) atenolol atopic_dermatitis GAP_HIGH 0.2092 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.62) atenolol breast_cancer GAP_HIGH 0.2092 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.62) fenbufen duodenum_cancer GAP_HIGH 0.2092 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) fenbufen gallbladder_cancer GAP_HIGH 0.2092 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) salbutamol asthma GAP_HIGH 0.2092 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in asthma cell model. Expected: similar to dipivefrin (Jaccard=0.60) quinestrol alopecia_areata GAP_HIGH 0.2092 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in alopecia_areata cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) equilin ovarian_cancer GAP_HIGH 0.2092 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in ovarian_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin uterine_cancer GAP_HIGH 0.2092 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in uterine_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.33) succinic_acid bipolar_disorder GAP_HIGH 0.2092 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in bipolar_disorder cell model. Expected: similar to l-asparagine (Jaccard=0.31) propericiazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2091 0.8181818181818182 perphenazine High-priority: Binding assay propericiazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to perphenazine (Jaccard=0.82) norelgestromin systemic_lupus_erythematosus GAP_HIGH 0.2091 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine systemic_lupus_erythematosus GAP_HIGH 0.2091 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to probenecid (Jaccard=0.56) pyrimethamine creutzfeldt-jakob_disease GAP_HIGH 0.2091 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.38) methohexital sarcoma GAP_HIGH 0.2091 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin sarcoma GAP_HIGH 0.2091 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in sarcoma cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide systemic_lupus_erythematosus GAP_HIGH 0.2091 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to deferasirox (Jaccard=0.33) succinic_acid endogenous_depression GAP_HIGH 0.2091 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in endogenous_depression cell model. Expected: similar to l-asparagine (Jaccard=0.31) epoprostenol dilated_cardiomyopathy GAP_HIGH 0.2091 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) atenolol psoriasis GAP_HIGH 0.209 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in psoriasis cell model. Expected: similar to sotalol (Jaccard=0.62) phenmetrazine metabolic_syndrome_x GAP_HIGH 0.209 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clofibrate (Jaccard=0.56) agomelatine sclerosing_cholangitis GAP_HIGH 0.209 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in sclerosing_cholangitis cell model. Expected: similar to bromfenac (Jaccard=0.53) alfacalcidol vaginal_cancer GAP_HIGH 0.209 0.5 calcipotriol High-priority: Binding assay alfacalcidol→?; validate in vaginal_cancer cell model. Expected: similar to calcipotriol (Jaccard=0.50) aciclovir hypertension GAP_HIGH 0.209 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in hypertension cell model. Expected: similar to cyclosporine (Jaccard=0.33) pasireotide metabolic_syndrome_x GAP_HIGH 0.209 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in metabolic_syndrome_x cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone asthma GAP_HIGH 0.209 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in asthma cell model. Expected: similar to finasteride (Jaccard=0.25) doxycycline barretts_esophagus GAP_LOW 0.209 0.0 pantoprazole Low-priority: Computational docking doxycycline vs barretts_esophagus targets. Cross-check doxycycline pharmacophore against barretts_esophagus pathway. propofol barretts_esophagus GAP_LOW 0.209 0.0 pantoprazole Low-priority: Computational docking propofol vs barretts_esophagus targets. Cross-check propofol pharmacophore against barretts_esophagus pathway. paclitaxel amyotrophic_lateral_sclerosis GAP_HIGH 0.2089 0.6666666666666666 rasagiline High-priority: Binding assay paclitaxel→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.67) atenolol migraine GAP_HIGH 0.2089 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in migraine cell model. Expected: similar to sotalol (Jaccard=0.62) floxuridine mediastinal_cancer GAP_HIGH 0.2089 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.57) norepinephrine systemic_lupus_erythematosus GAP_HIGH 0.2089 0.5714285714285714 isoetarine High-priority: Binding assay norepinephrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoetarine (Jaccard=0.57) norelgestromin osteoarthritis GAP_HIGH 0.2089 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in osteoarthritis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) norelgestromin skin_cancer GAP_HIGH 0.2089 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in skin_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) disopyramide lung_cancer GAP_HIGH 0.2089 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in lung_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) disopyramide rectum_cancer GAP_HIGH 0.2089 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in rectum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) thalidomide leprosy GAP_HIGH 0.2089 0.5 pomalidomide High-priority: Binding assay thalidomide→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.50) heptabarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.2089 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) equilin systemic_lupus_erythematosus GAP_HIGH 0.2089 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to dextromethorphan (Jaccard=0.33) pasireotide osteoarthritis GAP_HIGH 0.2089 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in osteoarthritis cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide skin_cancer GAP_HIGH 0.2089 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in skin_cancer cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone breast_cancer GAP_HIGH 0.2089 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in breast_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone colon_cancer GAP_HIGH 0.2089 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in colon_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone stomach_cancer GAP_HIGH 0.2089 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in stomach_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) oxazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.2088 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to temazepam (Jaccard=0.67) dimetindene polycystic_ovary_syndrome GAP_HIGH 0.2088 0.625 doxepin High-priority: Binding assay dimetindene→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to doxepin (Jaccard=0.62) fenbufen creutzfeldt-jakob_disease GAP_HIGH 0.2088 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to oxaprozin (Jaccard=0.62) lamivudine hepatitis_b GAP_HIGH 0.2088 0.6153846153846154 adenosine High-priority: Binding assay lamivudine→?; validate in hepatitis_b cell model. Expected: similar to adenosine (Jaccard=0.62) salbutamol uterine_cancer GAP_HIGH 0.2088 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) floxuridine thymus_cancer GAP_HIGH 0.2088 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.57) phenmetrazine testicular_cancer GAP_HIGH 0.2088 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) phenmetrazine vaginal_cancer GAP_HIGH 0.2088 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) adenine skin_cancer GAP_HIGH 0.2088 0.5 tioguanine High-priority: Binding assay adenine→?; validate in skin_cancer cell model. Expected: similar to tioguanine (Jaccard=0.50) sulfanilamide leprosy GAP_HIGH 0.2088 0.45454545454545453 phenmetrazine High-priority: Binding assay sulfanilamide→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.45) papaverine prostate_cancer GAP_HIGH 0.2088 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in prostate_cancer cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine membranous_glomerulonephritis GAP_HIGH 0.2088 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propranolol (Jaccard=0.44) equilin metabolic_syndrome_x GAP_HIGH 0.2088 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in metabolic_syndrome_x cell model. Expected: similar to dextromethorphan (Jaccard=0.33) pasireotide vulva_cancer GAP_HIGH 0.2088 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in vulva_cancer cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone pancreatic_cancer GAP_HIGH 0.2088 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in pancreatic_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) phenmetrazine vascular_cancer GAP_HIGH 0.2087 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) disopyramide liver_cancer GAP_HIGH 0.2087 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in liver_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) methohexital skin_cancer GAP_HIGH 0.2087 0.3548387096774194 phenytoin High-priority: Binding assay methohexital→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.35) equilin osteoarthritis GAP_HIGH 0.2087 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in osteoarthritis cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin skin_cancer GAP_HIGH 0.2087 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in skin_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) polythiazide germ_cell_cancer GAP_HIGH 0.2087 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) amphetamine pagets_disease_of_bone GAP_HIGH 0.2087 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) nitisinone ulcerative_colitis GAP_HIGH 0.2087 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in ulcerative_colitis cell model. Expected: similar to finasteride (Jaccard=0.25) quinacrine vascular_cancer GAP_HIGH 0.2086 0.56 chlorpromazine High-priority: Binding assay quinacrine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.56) pyrimethamine thyroid_cancer GAP_HIGH 0.2086 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) equilin vaginal_cancer GAP_HIGH 0.2086 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in vaginal_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) equilin vulva_cancer GAP_HIGH 0.2086 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in vulva_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide obesity GAP_HIGH 0.2086 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in obesity cell model. Expected: similar to deferasirox (Jaccard=0.33) nitisinone osteoporosis GAP_HIGH 0.2086 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in osteoporosis cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone ovarian_cancer GAP_HIGH 0.2086 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in ovarian_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) nitisinone uterine_cancer GAP_HIGH 0.2086 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in uterine_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) regadenoson kidney_cancer GAP_HIGH 0.2085 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) sulpiride atherosclerosis GAP_HIGH 0.2085 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.43) triamterene penile_cancer GAP_HIGH 0.2085 0.375 probenecid High-priority: Binding assay triamterene→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) equilin vascular_cancer GAP_HIGH 0.2085 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in vascular_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide systemic_scleroderma GAP_HIGH 0.2085 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in systemic_scleroderma cell model. Expected: similar to deferasirox (Jaccard=0.33) butabarbital alcohol_dependence GAP_HIGH 0.2085 0.3076923076923077 mazindol High-priority: Binding assay butabarbital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.31) norelgestromin systemic_scleroderma GAP_HIGH 0.2084 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in systemic_scleroderma cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine uterine_fibroid GAP_HIGH 0.2084 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in uterine_fibroid cell model. Expected: similar to probenecid (Jaccard=0.56) regadenoson nephrolithiasis GAP_HIGH 0.2084 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.45) aciclovir metabolic_syndrome_x GAP_HIGH 0.2084 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in metabolic_syndrome_x cell model. Expected: similar to cyclosporine (Jaccard=0.33) fluocinonide type_2_diabetes_mellitus GAP_HIGH 0.2083 0.7692307692307693 rimexolone High-priority: Binding assay fluocinonide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to rimexolone (Jaccard=0.77) norepinephrine systemic_scleroderma GAP_HIGH 0.2083 0.5714285714285714 isoetarine High-priority: Binding assay norepinephrine→?; validate in systemic_scleroderma cell model. Expected: similar to isoetarine (Jaccard=0.57) papaverine narcolepsy GAP_HIGH 0.2083 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in narcolepsy cell model. Expected: similar to bevantolol (Jaccard=0.45) esmolol azoospermia GAP_HIGH 0.2083 0.4375 naproxen High-priority: Binding assay esmolol→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.44) candesartan urinary_bladder_cancer GAP_HIGH 0.2083 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in urinary_bladder_cancer cell model. Expected: similar to ospemifene (Jaccard=0.43) aciclovir skin_cancer GAP_HIGH 0.2083 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in skin_cancer cell model. Expected: similar to cyclosporine (Jaccard=0.33) equilin systemic_scleroderma GAP_HIGH 0.2083 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in systemic_scleroderma cell model. Expected: similar to dextromethorphan (Jaccard=0.33) dextrothyroxine penile_cancer GAP_HIGH 0.2083 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in penile_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) dapsone systemic_lupus_erythematosus GAP_HIGH 0.2082 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sulfamethizole (Jaccard=0.62) salbutamol testicular_cancer GAP_HIGH 0.2082 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) salbutamol vaginal_cancer GAP_HIGH 0.2082 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) salbutamol vulva_cancer GAP_HIGH 0.2082 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) l-methionine hematologic_cancer GAP_HIGH 0.2082 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) candesartan attention_deficit_hyperactivity_disorder GAP_HIGH 0.2082 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ospemifene (Jaccard=0.43) aciclovir vaginal_cancer GAP_HIGH 0.2082 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in vaginal_cancer cell model. Expected: similar to cyclosporine (Jaccard=0.33) aciclovir vulva_cancer GAP_HIGH 0.2082 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in vulva_cancer cell model. Expected: similar to cyclosporine (Jaccard=0.33) equilin uterine_fibroid GAP_HIGH 0.2082 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in uterine_fibroid cell model. Expected: similar to methimazole (Jaccard=0.33) nelarabine breast_cancer GAP_HIGH 0.2082 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) nelarabine colon_cancer GAP_HIGH 0.2082 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) paclitaxel multiple_sclerosis GAP_HIGH 0.2081 0.6666666666666666 rasagiline High-priority: Binding assay paclitaxel→?; validate in multiple_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.67) salbutamol vascular_cancer GAP_HIGH 0.2081 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.60) agomelatine pancreatitis GAP_HIGH 0.2081 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in pancreatitis cell model. Expected: similar to bromfenac (Jaccard=0.53) pyrimethamine muscle_cancer GAP_HIGH 0.2081 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) pasireotide restless_legs_syndrome GAP_HIGH 0.2081 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in restless_legs_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.33) polythiazide penile_cancer GAP_HIGH 0.2081 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) nitisinone vulva_cancer GAP_HIGH 0.2081 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in vulva_cancer cell model. Expected: similar to finasteride (Jaccard=0.25) dapsone skin_cancer GAP_HIGH 0.208 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in skin_cancer cell model. Expected: similar to sulfamethizole (Jaccard=0.62) sotalol sarcoma GAP_HIGH 0.208 0.6153846153846154 atenolol High-priority: Binding assay sotalol→?; validate in sarcoma cell model. Expected: similar to atenolol (Jaccard=0.62) etonogestrel chronic_obstructive_pulmonary_disease GAP_HIGH 0.208 0.6 medroxyprogesterone_acetate High-priority: Binding assay etonogestrel→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.60) norelgestromin vitiligo GAP_HIGH 0.208 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in vitiligo cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) trilostane alopecia_areata GAP_HIGH 0.208 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in alopecia_areata cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) disopyramide stomach_cancer GAP_HIGH 0.208 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in stomach_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) alprazolam alcohol_dependence GAP_HIGH 0.208 0.46153846153846156 midazolam High-priority: Binding assay alprazolam→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.46) ranolazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.208 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.44) candesartan panic_disorder GAP_HIGH 0.208 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in panic_disorder cell model. Expected: similar to ospemifene (Jaccard=0.43) aciclovir obesity GAP_HIGH 0.208 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in obesity cell model. Expected: similar to cyclosporine (Jaccard=0.33) pasireotide polycystic_ovary_syndrome GAP_HIGH 0.208 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.33) pasireotide vitiligo GAP_HIGH 0.208 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in vitiligo cell model. Expected: similar to deferasirox (Jaccard=0.33) acetic_acid germ_cell_cancer GAP_HIGH 0.208 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in germ_cell_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) prednisolone rheumatoid_arthritis GAP_HIGH 0.2079 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in rheumatoid_arthritis cell model. Expected: similar to loteprednol (Jaccard=0.75) dapsone vulva_cancer GAP_HIGH 0.2079 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in vulva_cancer cell model. Expected: similar to sulfamethizole (Jaccard=0.62) fenbufen pancreatitis GAP_HIGH 0.2079 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in pancreatitis cell model. Expected: similar to oxaprozin (Jaccard=0.62) alprazolam panic_disorder GAP_HIGH 0.2079 0.5714285714285714 estazolam High-priority: Binding assay alprazolam→?; validate in panic_disorder cell model. Expected: similar to estazolam (Jaccard=0.57) disopyramide pancreatic_cancer GAP_HIGH 0.2079 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in pancreatic_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) halazepam creutzfeldt-jakob_disease GAP_HIGH 0.2079 0.4444444444444444 estazolam High-priority: Binding assay halazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.44) candesartan atopic_dermatitis GAP_HIGH 0.2079 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in atopic_dermatitis cell model. Expected: similar to ospemifene (Jaccard=0.43) candesartan breast_cancer GAP_HIGH 0.2079 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in breast_cancer cell model. Expected: similar to ospemifene (Jaccard=0.43) candesartan schizophrenia GAP_HIGH 0.2079 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in schizophrenia cell model. Expected: similar to ospemifene (Jaccard=0.43) equilin polycystic_ovary_syndrome GAP_HIGH 0.2079 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin restless_legs_syndrome GAP_HIGH 0.2079 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in restless_legs_syndrome cell model. Expected: similar to dextromethorphan (Jaccard=0.33) equilin type_2_diabetes_mellitus GAP_HIGH 0.2079 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to dextromethorphan (Jaccard=0.33) nelarabine ovarian_cancer GAP_HIGH 0.2079 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.33) salbutamol uterine_fibroid GAP_HIGH 0.2078 0.6 dipivefrin High-priority: Binding assay salbutamol→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.60) floxuridine melanoma GAP_HIGH 0.2078 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.57) norelgestromin rheumatoid_arthritis GAP_HIGH 0.2078 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in rheumatoid_arthritis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine rheumatoid_arthritis GAP_HIGH 0.2078 0.5555555555555556 probenecid High-priority: Binding assay phenmetrazine→?; validate in rheumatoid_arthritis cell model. Expected: similar to probenecid (Jaccard=0.56) agomelatine lung_cancer GAP_HIGH 0.2078 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine rectum_cancer GAP_HIGH 0.2078 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) disopyramide uterine_cancer GAP_HIGH 0.2078 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in uterine_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) methyclothiazide vulva_cancer GAP_HIGH 0.2078 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay methyclothiazide→?; validate in vulva_cancer cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) candesartan allergic_rhinitis GAP_HIGH 0.2078 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in allergic_rhinitis cell model. Expected: similar to ospemifene (Jaccard=0.43) candesartan bipolar_disorder GAP_HIGH 0.2078 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in bipolar_disorder cell model. Expected: similar to ospemifene (Jaccard=0.43) candesartan hypertension GAP_HIGH 0.2078 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in hypertension cell model. Expected: similar to ospemifene (Jaccard=0.43) vorinostat autistic_disorder GAP_HIGH 0.2078 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in autistic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.40) vorinostat nicotine_dependence GAP_HIGH 0.2078 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in nicotine_dependence cell model. Expected: similar to amphetamine (Jaccard=0.40) equilin vitiligo GAP_HIGH 0.2078 0.3333333333333333 methimazole High-priority: Binding assay equilin→?; validate in vitiligo cell model. Expected: similar to methimazole (Jaccard=0.33) pasireotide rheumatoid_arthritis GAP_HIGH 0.2078 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in rheumatoid_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.33) polythiazide malignant_mesothelioma GAP_HIGH 0.2078 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.33) succinic_acid restless_legs_syndrome GAP_HIGH 0.2078 0.3103448275862069 l-asparagine High-priority: Binding assay succinic_acid→?; validate in restless_legs_syndrome cell model. Expected: similar to l-asparagine (Jaccard=0.31) prednisolone psoriatic_arthritis GAP_HIGH 0.2077 0.75 loteprednol High-priority: Binding assay prednisolone→?; validate in psoriatic_arthritis cell model. Expected: similar to loteprednol (Jaccard=0.75) dydrogesterone primary_biliary_cirrhosis GAP_HIGH 0.2077 0.6666666666666666 testosterone_propionate High-priority: Binding assay dydrogesterone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to testosterone_propionate (Jaccard=0.67) dapsone vascular_cancer GAP_HIGH 0.2077 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in vascular_cancer cell model. Expected: similar to sulfamethizole (Jaccard=0.62) atenolol restless_legs_syndrome GAP_HIGH 0.2077 0.6153846153846154 sotalol High-priority: Binding assay atenolol→?; validate in restless_legs_syndrome cell model. Expected: similar to sotalol (Jaccard=0.62) sulpiride pancreatic_cancer GAP_HIGH 0.2077 0.5 tolazamide High-priority: Binding assay sulpiride→?; validate in pancreatic_cancer cell model. Expected: similar to tolazamide (Jaccard=0.50) candesartan endogenous_depression GAP_HIGH 0.2077 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in endogenous_depression cell model. Expected: similar to ospemifene (Jaccard=0.43) propofol focal_segmental_glomerulosclerosis GAP_HIGH 0.2077 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) aciclovir uterine_fibroid GAP_HIGH 0.2077 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in uterine_fibroid cell model. Expected: similar to cyclosporine (Jaccard=0.33) thiamylal crohns_disease GAP_HIGH 0.2077 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in crohns_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.33) glutethimide barretts_esophagus GAP_LOW 0.2077 0.047619047619047616 pantoprazole Low-priority: Computational docking glutethimide vs barretts_esophagus targets. Cross-check glutethimide pharmacophore against barretts_esophagus pathway. fenbufen lung_cancer GAP_HIGH 0.2076 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) fenbufen rectum_cancer GAP_HIGH 0.2076 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) sotalol skin_cancer GAP_HIGH 0.2076 0.6153846153846154 atenolol High-priority: Binding assay sotalol→?; validate in skin_cancer cell model. Expected: similar to atenolol (Jaccard=0.62) atenolol malignant_mesothelioma GAP_HIGH 0.2076 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.58) norepinephrine rheumatoid_arthritis GAP_HIGH 0.2076 0.5714285714285714 isoetarine High-priority: Binding assay norepinephrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to isoetarine (Jaccard=0.57) agomelatine autistic_disorder GAP_HIGH 0.2076 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in autistic_disorder cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine liver_cancer GAP_HIGH 0.2076 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine nicotine_dependence GAP_HIGH 0.2076 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in nicotine_dependence cell model. Expected: similar to bromfenac (Jaccard=0.53) amlodipine coronary_artery_disease GAP_HIGH 0.2076 0.5 lercanidipine High-priority: Binding assay amlodipine→?; validate in coronary_artery_disease cell model. Expected: similar to lercanidipine (Jaccard=0.50) chlorthalidone duodenum_cancer GAP_HIGH 0.2076 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone gallbladder_cancer GAP_HIGH 0.2076 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) pyrimethamine urinary_bladder_cancer GAP_HIGH 0.2076 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) equilin rheumatoid_arthritis GAP_HIGH 0.2076 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in rheumatoid_arthritis cell model. Expected: similar to dextromethorphan (Jaccard=0.33) fenbufen liver_cancer GAP_HIGH 0.2075 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) fenbufen parkinsons_disease GAP_HIGH 0.2075 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in parkinsons_disease cell model. Expected: similar to oxaprozin (Jaccard=0.62) norelgestromin psoriatic_arthritis GAP_HIGH 0.2075 0.5555555555555556 megestrol_acetate High-priority: Binding assay norelgestromin→?; validate in psoriatic_arthritis cell model. Expected: similar to megestrol_acetate (Jaccard=0.56) phenmetrazine psoriatic_arthritis GAP_HIGH 0.2075 0.5555555555555556 clofibrate High-priority: Binding assay phenmetrazine→?; validate in psoriatic_arthritis cell model. Expected: similar to clofibrate (Jaccard=0.56) sulpiride multiple_sclerosis GAP_HIGH 0.2075 0.5 tolazamide High-priority: Binding assay sulpiride→?; validate in multiple_sclerosis cell model. Expected: similar to tolazamide (Jaccard=0.50) methylphenobarbital narcolepsy GAP_HIGH 0.2075 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in narcolepsy cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine narcolepsy GAP_HIGH 0.2075 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in narcolepsy cell model. Expected: similar to propafenone (Jaccard=0.44) carprofen atherosclerosis GAP_HIGH 0.2075 0.4375 naproxen High-priority: Binding assay carprofen→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.44) candesartan migraine GAP_HIGH 0.2075 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in migraine cell model. Expected: similar to ospemifene (Jaccard=0.43) pyrimethamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2075 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.38) pasireotide psoriatic_arthritis GAP_HIGH 0.2075 0.3333333333333333 deferasirox High-priority: Binding assay pasireotide→?; validate in psoriatic_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.33) dextrothyroxine meningioma GAP_HIGH 0.2075 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in meningioma cell model. Expected: similar to methimazole (Jaccard=0.25) dapsone uterine_fibroid GAP_HIGH 0.2074 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in uterine_fibroid cell model. Expected: similar to sulfamethizole (Jaccard=0.62) fenbufen amyotrophic_lateral_sclerosis GAP_HIGH 0.2074 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to oxaprozin (Jaccard=0.62) norepinephrine psoriatic_arthritis GAP_HIGH 0.2074 0.5714285714285714 isoetarine High-priority: Binding assay norepinephrine→?; validate in psoriatic_arthritis cell model. Expected: similar to isoetarine (Jaccard=0.57) agomelatine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2074 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine peripheral_nervous_system_neoplasm GAP_HIGH 0.2074 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.53) amobarbital kidney_cancer GAP_HIGH 0.2074 0.38095238095238093 quinacrine High-priority: Binding assay amobarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) aciclovir polycystic_ovary_syndrome GAP_HIGH 0.2074 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to cyclosporine (Jaccard=0.33) aciclovir type_2_diabetes_mellitus GAP_HIGH 0.2074 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to cyclosporine (Jaccard=0.33) equilin psoriatic_arthritis GAP_HIGH 0.2074 0.3333333333333333 dextromethorphan High-priority: Binding assay equilin→?; validate in psoriatic_arthritis cell model. Expected: similar to dextromethorphan (Jaccard=0.33) quinapril acquired_immunodeficiency_syndrome GAP_HIGH 0.2074 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.33) acetic_acid penile_cancer GAP_HIGH 0.2074 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in penile_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) nilotinib penile_cancer GAP_HIGH 0.2073 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in penile_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) methyclothiazide uterine_fibroid GAP_HIGH 0.2073 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay methyclothiazide→?; validate in uterine_fibroid cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) vorinostat panic_disorder GAP_HIGH 0.2073 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in panic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.40) vorinostat schizophrenia GAP_HIGH 0.2073 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in schizophrenia cell model. Expected: similar to amphetamine (Jaccard=0.40) aciclovir vitiligo GAP_HIGH 0.2073 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in vitiligo cell model. Expected: similar to cyclosporine (Jaccard=0.33) quazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.2073 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.32) nitisinone polycystic_ovary_syndrome GAP_HIGH 0.2073 0.25 finasteride High-priority: Binding assay nitisinone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to finasteride (Jaccard=0.25) chlorthalidone creutzfeldt-jakob_disease GAP_HIGH 0.2072 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clozapine (Jaccard=0.50) disopyramide testicular_cancer GAP_HIGH 0.2072 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in testicular_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) disopyramide vaginal_cancer GAP_HIGH 0.2072 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in vaginal_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) disopyramide vulva_cancer GAP_HIGH 0.2072 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in vulva_cancer cell model. Expected: similar to propiomazine (Jaccard=0.50) fluorometholone dilated_cardiomyopathy GAP_HIGH 0.2072 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.50) vorinostat conduct_disorder GAP_HIGH 0.2072 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in conduct_disorder cell model. Expected: similar to amphetamine (Jaccard=0.40) pyrimethamine breast_cancer GAP_HIGH 0.2072 0.375 phenmetrazine High-priority: Binding assay pyrimethamine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.38) polythiazide meningioma GAP_HIGH 0.2072 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.33) prochlorperazine coronary_artery_disease GAP_HIGH 0.2071 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in coronary_artery_disease cell model. Expected: similar to mequitazine (Jaccard=0.75) prochlorperazine narcolepsy GAP_HIGH 0.2071 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in narcolepsy cell model. Expected: similar to mequitazine (Jaccard=0.75) nilotinib malignant_mesothelioma GAP_HIGH 0.2071 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in malignant_mesothelioma cell model. Expected: similar to sunitinib (Jaccard=0.57) disopyramide vascular_cancer GAP_HIGH 0.2071 0.5 bepridil High-priority: Binding assay disopyramide→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.50) candesartan osteoarthritis GAP_HIGH 0.2071 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in osteoarthritis cell model. Expected: similar to ospemifene (Jaccard=0.43) vorinostat bipolar_disorder GAP_HIGH 0.2071 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in bipolar_disorder cell model. Expected: similar to amphetamine (Jaccard=0.40) aprobarbital kidney_cancer GAP_HIGH 0.2071 0.38095238095238093 quinacrine High-priority: Binding assay aprobarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) butethal kidney_cancer GAP_HIGH 0.2071 0.38095238095238093 quinacrine High-priority: Binding assay butethal→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) pyrimethamine hypertension GAP_HIGH 0.2071 0.375 tranylcypromine High-priority: Binding assay pyrimethamine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.38) trimethoprim brain_cancer GAP_HIGH 0.2071 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) trimethoprim intracranial_aneurysm GAP_HIGH 0.2071 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.38) gliquidone atherosclerosis GAP_HIGH 0.2071 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.32) dapsone vitiligo GAP_HIGH 0.207 0.625 sulfamethizole High-priority: Binding assay dapsone→?; validate in vitiligo cell model. Expected: similar to sulfamethizole (Jaccard=0.62) agomelatine colon_cancer GAP_HIGH 0.207 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in colon_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine conduct_disorder GAP_HIGH 0.207 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in conduct_disorder cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine hypertension GAP_HIGH 0.207 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in hypertension cell model. Expected: similar to bromfenac (Jaccard=0.53) sulpiride osteoarthritis GAP_HIGH 0.207 0.5 tolazamide High-priority: Binding assay sulpiride→?; validate in osteoarthritis cell model. Expected: similar to tolazamide (Jaccard=0.50) candesartan testicular_cancer GAP_HIGH 0.207 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in testicular_cancer cell model. Expected: similar to ospemifene (Jaccard=0.43) candesartan vaginal_cancer GAP_HIGH 0.207 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in vaginal_cancer cell model. Expected: similar to ospemifene (Jaccard=0.43) quinestrol intracranial_aneurysm GAP_HIGH 0.207 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in intracranial_aneurysm cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) vorinostat endogenous_depression GAP_HIGH 0.207 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in endogenous_depression cell model. Expected: similar to amphetamine (Jaccard=0.40) emtricitabine malignant_mesothelioma GAP_HIGH 0.207 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in malignant_mesothelioma cell model. Expected: similar to telbivudine (Jaccard=0.33) polythiazide crohns_disease GAP_HIGH 0.207 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.33) floxuridine thyroid_cancer GAP_HIGH 0.2069 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in thyroid_cancer cell model. Expected: similar to entecavir (Jaccard=0.57) desogestrel polycystic_ovary_syndrome GAP_HIGH 0.2069 0.5555555555555556 allylestrenol High-priority: Binding assay desogestrel→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to allylestrenol (Jaccard=0.56) agomelatine stomach_cancer GAP_HIGH 0.2069 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in stomach_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) dronedarone penile_cancer GAP_HIGH 0.2069 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in penile_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) aciclovir psoriatic_arthritis GAP_HIGH 0.2069 0.3333333333333333 cyclosporine High-priority: Binding assay aciclovir→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclosporine (Jaccard=0.33) amodiaquine leprosy GAP_HIGH 0.2069 0.3181818181818182 phensuximide High-priority: Binding assay amodiaquine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.32) methohexital gilles_de_la_tourette_syndrome GAP_HIGH 0.2069 0.3103448275862069 loxapine High-priority: Binding assay methohexital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.31) telbivudine esophageal_cancer GAP_HIGH 0.2069 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) oxazepam chronic_kidney_failure GAP_HIGH 0.2068 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to temazepam (Jaccard=0.67) paclitaxel restless_legs_syndrome GAP_HIGH 0.2068 0.6666666666666666 rasagiline High-priority: Binding assay paclitaxel→?; validate in restless_legs_syndrome cell model. Expected: similar to rasagiline (Jaccard=0.67) fenbufen stomach_cancer GAP_HIGH 0.2068 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in stomach_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.62) dasatinib penile_cancer GAP_HIGH 0.2068 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in penile_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) agomelatine endogenous_depression GAP_HIGH 0.2068 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in endogenous_depression cell model. Expected: similar to bromfenac (Jaccard=0.53) agomelatine pancreatic_cancer GAP_HIGH 0.2068 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in pancreatic_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) disopyramide uterine_fibroid GAP_HIGH 0.2068 0.5 propiomazine High-priority: Binding assay disopyramide→?; validate in uterine_fibroid cell model. Expected: similar to propiomazine (Jaccard=0.50) eplerenone dilated_cardiomyopathy GAP_HIGH 0.2068 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.50) methyclothiazide rheumatoid_arthritis GAP_HIGH 0.2068 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay methyclothiazide→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) ranolazine crohns_disease GAP_HIGH 0.2068 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.44) primidone epilepsy_syndrome GAP_HIGH 0.2068 0.4 talbutal High-priority: Binding assay primidone→?; validate in epilepsy_syndrome cell model. Expected: similar to talbutal (Jaccard=0.40) amiloride larynx_cancer GAP_HIGH 0.2068 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) thiamylal narcolepsy GAP_HIGH 0.2068 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in narcolepsy cell model. Expected: similar to fosphenytoin (Jaccard=0.33) fenbufen pancreatic_cancer GAP_HIGH 0.2067 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in pancreatic_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.62) l-methionine pharynx_cancer GAP_HIGH 0.2067 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol crohns_disease GAP_HIGH 0.2067 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.58) agomelatine ovarian_cancer GAP_HIGH 0.2067 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in ovarian_cancer cell model. Expected: similar to bromfenac (Jaccard=0.53) heptabarbital chronic_kidney_failure GAP_HIGH 0.2067 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.38) butabarbital leprosy GAP_HIGH 0.2067 0.2558139534883721 phensuximide High-priority: Binding assay butabarbital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.26) clobazam focal_segmental_glomerulosclerosis GAP_HIGH 0.2066 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) etonogestrel atopic_dermatitis GAP_HIGH 0.2066 0.6 medroxyprogesterone_acetate High-priority: Binding assay etonogestrel→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.60) dasatinib malignant_mesothelioma GAP_HIGH 0.2066 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in malignant_mesothelioma cell model. Expected: similar to crizotinib (Jaccard=0.58) agomelatine sarcoma GAP_HIGH 0.2066 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in sarcoma cell model. Expected: similar to bromfenac (Jaccard=0.53) chlorthalidone chronic_obstructive_pulmonary_disease GAP_HIGH 0.2066 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.50) triamterene coronary_artery_disease GAP_HIGH 0.2066 0.375 clofibrate High-priority: Binding assay triamterene→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.38) nelarabine polycystic_ovary_syndrome GAP_HIGH 0.2066 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.33) polythiazide prostate_cancer GAP_HIGH 0.2066 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) acetic_acid meningioma GAP_HIGH 0.2066 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in meningioma cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine mediastinal_cancer GAP_HIGH 0.2066 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) fenbufen uterine_cancer GAP_HIGH 0.2065 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) floxuridine pancreatitis GAP_HIGH 0.2065 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.57) nilotinib meningioma GAP_HIGH 0.2065 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in meningioma cell model. Expected: similar to sunitinib (Jaccard=0.57) papaverine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2065 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bevantolol (Jaccard=0.45) triamterene hematologic_cancer GAP_HIGH 0.2065 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.38) triamterene narcolepsy GAP_HIGH 0.2065 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.38) nelarabine vitiligo GAP_HIGH 0.2065 0.3333333333333333 lamivudine High-priority: Binding assay nelarabine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.33) dextrothyroxine thymus_cancer GAP_HIGH 0.2065 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) chlordiazepoxide alcohol_dependence GAP_HIGH 0.2064 0.7 fludiazepam High-priority: Binding assay chlordiazepoxide→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.70) ziprasidone multiple_sclerosis GAP_HIGH 0.2064 0.6 olanzapine High-priority: Binding assay ziprasidone→?; validate in multiple_sclerosis cell model. Expected: similar to olanzapine (Jaccard=0.60) l-methionine epilepsy_syndrome GAP_HIGH 0.2064 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-serine (Jaccard=0.60) ranolazine prostate_cancer GAP_HIGH 0.2064 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in prostate_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) polythiazide mediastinal_cancer GAP_HIGH 0.2064 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) methylphenobarbital creutzfeldt-jakob_disease GAP_HIGH 0.2063 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine creutzfeldt-jakob_disease GAP_HIGH 0.2063 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to propafenone (Jaccard=0.44) candesartan restless_legs_syndrome GAP_HIGH 0.2063 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in restless_legs_syndrome cell model. Expected: similar to ospemifene (Jaccard=0.43) pyrimethamine testicular_cancer GAP_HIGH 0.2063 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) pyrimethamine vaginal_cancer GAP_HIGH 0.2063 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) polythiazide gout GAP_HIGH 0.2063 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide primary_biliary_cirrhosis GAP_HIGH 0.2063 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.33) vitamin_c brain_cancer GAP_HIGH 0.2063 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) vitamin_c intracranial_aneurysm GAP_HIGH 0.2063 0.25 etoposide High-priority: Binding assay vitamin_c→?; validate in intracranial_aneurysm cell model. Expected: similar to etoposide (Jaccard=0.25) fenbufen metabolic_syndrome_x GAP_HIGH 0.2062 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxaprozin (Jaccard=0.62) prednicarbate kidney_cancer GAP_HIGH 0.2062 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.55) candesartan vitiligo GAP_HIGH 0.2062 0.42857142857142855 ospemifene High-priority: Binding assay candesartan→?; validate in vitiligo cell model. Expected: similar to ospemifene (Jaccard=0.43) trimethoprim head_and_neck_cancer GAP_HIGH 0.2062 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) trimethoprim malignant_glioma GAP_HIGH 0.2062 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.38) polythiazide thymus_cancer GAP_HIGH 0.2062 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) oxyphenonium leprosy GAP_HIGH 0.2062 0.25 phenmetrazine High-priority: Binding assay oxyphenonium→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.25) fenbufen skin_cancer GAP_HIGH 0.2061 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.62) l-methionine salivary_gland_cancer GAP_HIGH 0.2061 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol primary_biliary_cirrhosis GAP_HIGH 0.2061 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.58) alprazolam coronary_artery_disease GAP_HIGH 0.2061 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in coronary_artery_disease cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) alprazolam narcolepsy GAP_HIGH 0.2061 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) prednicarbate nephrolithiasis GAP_HIGH 0.2061 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.55) quinestrol head_and_neck_cancer GAP_HIGH 0.2061 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) quinestrol malignant_glioma GAP_HIGH 0.2061 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in malignant_glioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) pyrimethamine vascular_cancer GAP_HIGH 0.2061 0.375 probenecid High-priority: Binding assay pyrimethamine→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) trimethoprim kidney_cancer GAP_HIGH 0.2061 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) dextropropoxyphene celiac_disease GAP_HIGH 0.2061 0.3333333333333333 mepenzolate High-priority: Binding assay dextropropoxyphene→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.33) oxyphenonium chronic_kidney_failure GAP_HIGH 0.2061 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in chronic_kidney_failure cell model. Expected: similar to mirtazapine (Jaccard=0.33) polythiazide hematologic_cancer GAP_HIGH 0.2061 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in hematologic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) methohexital alcohol_dependence GAP_HIGH 0.2061 0.25 mazindol High-priority: Binding assay methohexital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.25) fenbufen vaginal_cancer GAP_HIGH 0.206 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) fenbufen vulva_cancer GAP_HIGH 0.206 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.62) l-methionine muscle_cancer GAP_HIGH 0.206 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol gout GAP_HIGH 0.206 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.58) dasatinib meningioma GAP_HIGH 0.206 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in meningioma cell model. Expected: similar to crizotinib (Jaccard=0.58) salbutamol hematologic_cancer GAP_HIGH 0.206 0.5714285714285714 terbutaline High-priority: Binding assay salbutamol→?; validate in hematologic_cancer cell model. Expected: similar to terbutaline (Jaccard=0.57) chlorthalidone lung_cancer GAP_HIGH 0.206 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone rectum_cancer GAP_HIGH 0.206 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) tolazoline atherosclerosis GAP_HIGH 0.206 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.44) ranolazine coronary_artery_disease GAP_HIGH 0.206 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.44) trimethoprim nephrolithiasis GAP_HIGH 0.206 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in nephrolithiasis cell model. Expected: similar to methotrexate (Jaccard=0.38) aminophenazone leprosy GAP_HIGH 0.206 0.2222222222222222 phenmetrazine High-priority: Binding assay aminophenazone→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.22) midazolam epilepsy_syndrome GAP_HIGH 0.2059 0.7142857142857143 adinazolam High-priority: Binding assay midazolam→?; validate in epilepsy_syndrome cell model. Expected: similar to adinazolam (Jaccard=0.71) fenbufen testicular_cancer GAP_HIGH 0.2059 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in testicular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.62) prednicarbate celiac_disease GAP_HIGH 0.2059 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.55) agomelatine obesity GAP_HIGH 0.2059 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in obesity cell model. Expected: similar to bromfenac (Jaccard=0.53) chlorthalidone liver_cancer GAP_HIGH 0.2059 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) regadenoson penile_cancer GAP_HIGH 0.2059 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) acetic_acid prostate_cancer GAP_HIGH 0.2059 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in prostate_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) fenbufen obesity GAP_HIGH 0.2058 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in obesity cell model. Expected: similar to oxaprozin (Jaccard=0.62) fenbufen vascular_cancer GAP_HIGH 0.2058 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.62) paclitaxel larynx_cancer GAP_HIGH 0.2058 0.6 docetaxel High-priority: Binding assay paclitaxel→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.60) sulfanilamide coronary_artery_disease GAP_HIGH 0.2058 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.60) atenolol coronary_artery_disease GAP_HIGH 0.2058 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.58) atenolol narcolepsy GAP_HIGH 0.2058 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.58) nilotinib prostate_cancer GAP_HIGH 0.2058 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in prostate_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) trilostane brain_cancer GAP_HIGH 0.2058 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in brain_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) trilostane intracranial_aneurysm GAP_HIGH 0.2058 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in intracranial_aneurysm cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) amodiaquine crohns_disease GAP_HIGH 0.2058 0.4583333333333333 methdilazine High-priority: Binding assay amodiaquine→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.46) papaverine alzheimers_disease GAP_HIGH 0.2058 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in alzheimers_disease cell model. Expected: similar to bevantolol (Jaccard=0.45) papaverine parkinsons_disease GAP_HIGH 0.2058 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in parkinsons_disease cell model. Expected: similar to bevantolol (Jaccard=0.45) benazepril narcolepsy GAP_HIGH 0.2058 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.43) perphenazine prostate_cancer GAP_HIGH 0.2057 0.8181818181818182 propericiazine High-priority: Binding assay perphenazine→?; validate in prostate_cancer cell model. Expected: similar to propericiazine (Jaccard=0.82) l-methionine alzheimers_disease GAP_HIGH 0.2057 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine parkinsons_disease GAP_HIGH 0.2057 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.60) ketazolam malaria GAP_HIGH 0.2057 0.5384615384615384 phenobarbital High-priority: Binding assay ketazolam→?; validate in malaria cell model. Expected: similar to phenobarbital (Jaccard=0.54) agomelatine uterine_fibroid GAP_HIGH 0.2057 0.5333333333333333 bromfenac High-priority: Binding assay agomelatine→?; validate in uterine_fibroid cell model. Expected: similar to bromfenac (Jaccard=0.53) doxapram primary_biliary_cirrhosis GAP_HIGH 0.2057 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.44) ranolazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.2057 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to propafenone (Jaccard=0.44) acetic_acid mediastinal_cancer GAP_HIGH 0.2057 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in mediastinal_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) etonogestrel vascular_cancer GAP_HIGH 0.2056 0.6 medroxyprogesterone_acetate High-priority: Binding assay etonogestrel→?; validate in vascular_cancer cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.60) l-methionine amyotrophic_lateral_sclerosis GAP_HIGH 0.2056 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.60) nilotinib mediastinal_cancer GAP_HIGH 0.2056 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in mediastinal_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) norelgestromin type_2_diabetes_mellitus GAP_HIGH 0.2056 0.5454545454545454 norethindrone High-priority: Binding assay norelgestromin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to norethindrone (Jaccard=0.55) papaverine urinary_bladder_cancer GAP_HIGH 0.2056 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in urinary_bladder_cancer cell model. Expected: similar to bevantolol (Jaccard=0.45) doxapram gout GAP_HIGH 0.2056 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.44) vorinostat restless_legs_syndrome GAP_HIGH 0.2056 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in restless_legs_syndrome cell model. Expected: similar to amphetamine (Jaccard=0.40) thiamylal creutzfeldt-jakob_disease GAP_HIGH 0.2056 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextropropoxyphene acquired_immunodeficiency_syndrome GAP_HIGH 0.2056 0.2857142857142857 alvimopan High-priority: Binding assay dextropropoxyphene→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.29) acetic_acid thymus_cancer GAP_HIGH 0.2056 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in thymus_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) prochlorperazine ankylosing_spondylitis GAP_HIGH 0.2055 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in ankylosing_spondylitis cell model. Expected: similar to mequitazine (Jaccard=0.75) fenbufen uterine_fibroid GAP_HIGH 0.2055 0.6153846153846154 clozapine High-priority: Binding assay fenbufen→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.62) l-methionine peripheral_nervous_system_neoplasm GAP_HIGH 0.2055 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.60) levonordefrin atherosclerosis GAP_HIGH 0.2055 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in atherosclerosis cell model. Expected: similar to carbidopa (Jaccard=0.59) nilotinib primary_biliary_cirrhosis GAP_HIGH 0.2055 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sunitinib (Jaccard=0.57) nilotinib thymus_cancer GAP_HIGH 0.2055 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in thymus_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) papaverine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2055 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bevantolol (Jaccard=0.45) propofol chronic_kidney_failure GAP_HIGH 0.2055 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.40) vorinostat vitiligo GAP_HIGH 0.2055 0.4 amphetamine High-priority: Binding assay vorinostat→?; validate in vitiligo cell model. Expected: similar to amphetamine (Jaccard=0.40) amobarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.2055 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) emtricitabine mediastinal_cancer GAP_HIGH 0.2055 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in mediastinal_cancer cell model. Expected: similar to telbivudine (Jaccard=0.33) acetylcysteine glaucoma GAP_HIGH 0.2055 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in glaucoma cell model. Expected: similar to l-histidine (Jaccard=0.32) dextrothyroxine melanoma GAP_HIGH 0.2055 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in melanoma cell model. Expected: similar to methimazole (Jaccard=0.25) methacholine type_1_diabetes_mellitus GAP_HIGH 0.2055 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) floxuridine stomach_cancer GAP_HIGH 0.2054 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in stomach_cancer cell model. Expected: similar to entecavir (Jaccard=0.57) emtricitabine thymus_cancer GAP_HIGH 0.2054 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in thymus_cancer cell model. Expected: similar to telbivudine (Jaccard=0.33) testolactone dilated_cardiomyopathy GAP_HIGH 0.2053 0.6363636363636364 hydrocortisone High-priority: Binding assay testolactone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to hydrocortisone (Jaccard=0.64) dasatinib prostate_cancer GAP_HIGH 0.2053 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in prostate_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) chlorthalidone asthma GAP_HIGH 0.2053 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in asthma cell model. Expected: similar to clozapine (Jaccard=0.50) heptabarbital membranous_glomerulonephritis GAP_HIGH 0.2053 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) triamterene creutzfeldt-jakob_disease GAP_HIGH 0.2053 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.38) polythiazide melanoma GAP_HIGH 0.2053 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.33) vitamin_c kidney_cancer GAP_HIGH 0.2053 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) prochlorperazine epilepsy_syndrome GAP_HIGH 0.2052 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in epilepsy_syndrome cell model. Expected: similar to mequitazine (Jaccard=0.75) fenbufen polycystic_ovary_syndrome GAP_HIGH 0.2052 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to oxaprozin (Jaccard=0.62) fenbufen type_2_diabetes_mellitus GAP_HIGH 0.2052 0.6153846153846154 oxaprozin High-priority: Binding assay fenbufen→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to oxaprozin (Jaccard=0.62) floxuridine ulcerative_colitis GAP_HIGH 0.2052 0.5714285714285714 entecavir High-priority: Binding assay floxuridine→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.57) chlorthalidone atopic_dermatitis GAP_HIGH 0.2052 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in atopic_dermatitis cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone colon_cancer GAP_HIGH 0.2052 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in colon_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone hypertension GAP_HIGH 0.2052 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in hypertension cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone stomach_cancer GAP_HIGH 0.2052 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) papaverine asthma GAP_HIGH 0.2052 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in asthma cell model. Expected: similar to bevantolol (Jaccard=0.45) papaverine panic_disorder GAP_HIGH 0.2052 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in panic_disorder cell model. Expected: similar to bevantolol (Jaccard=0.45) papaverine schizophrenia GAP_HIGH 0.2052 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in schizophrenia cell model. Expected: similar to bevantolol (Jaccard=0.45) phenobarbital ankylosing_spondylitis GAP_HIGH 0.2052 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to ethotoin (Jaccard=0.45) polythiazide duodenum_cancer GAP_HIGH 0.2052 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide gallbladder_cancer GAP_HIGH 0.2052 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal ankylosing_spondylitis GAP_HIGH 0.2052 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in ankylosing_spondylitis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) pirenzepine metabolic_syndrome_x GAP_HIGH 0.2051 0.7857142857142857 zuclopenthixol High-priority: Binding assay pirenzepine→?; validate in metabolic_syndrome_x cell model. Expected: similar to zuclopenthixol (Jaccard=0.79) l-methionine asthma GAP_HIGH 0.2051 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine breast_cancer GAP_HIGH 0.2051 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine colon_cancer GAP_HIGH 0.2051 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) dasatinib mediastinal_cancer GAP_HIGH 0.2051 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in mediastinal_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) chlorthalidone pancreatic_cancer GAP_HIGH 0.2051 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) amodiaquine gout GAP_HIGH 0.2051 0.4583333333333333 methdilazine High-priority: Binding assay amodiaquine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.46) papaverine atopic_dermatitis GAP_HIGH 0.2051 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in atopic_dermatitis cell model. Expected: similar to bevantolol (Jaccard=0.45) regadenoson meningioma GAP_HIGH 0.2051 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.45) papaverine malignant_mesothelioma GAP_HIGH 0.2051 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.43) cytarabine membranous_glomerulonephritis GAP_HIGH 0.2051 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to telbivudine (Jaccard=0.40) acetylcysteine barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking acetylcysteine vs barretts_esophagus targets. Cross-check acetylcysteine pharmacophore against barretts_esophagus pathway. aminolevulinic_acid barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking aminolevulinic_acid vs barretts_esophagus targets. Cross-check aminolevulinic_acid pharmacophore against barretts_esophagus pathway. caffeine barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking caffeine vs barretts_esophagus targets. Cross-check caffeine pharmacophore against barretts_esophagus pathway. dextrothyroxine barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking dextrothyroxine vs barretts_esophagus targets. Cross-check dextrothyroxine pharmacophore against barretts_esophagus pathway. dihomo-gamma-linolenic_acid barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking dihomo-gamma-linolenic_acid vs barretts_esophagus targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against barretts_esophagus pathway. lubiprostone barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking lubiprostone vs barretts_esophagus targets. Cross-check lubiprostone pharmacophore against barretts_esophagus pathway. penicillamine barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking penicillamine vs barretts_esophagus targets. Cross-check penicillamine pharmacophore against barretts_esophagus pathway. riboflavin barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking riboflavin vs barretts_esophagus targets. Cross-check riboflavin pharmacophore against barretts_esophagus pathway. sodium_tetradecyl_sulfate barretts_esophagus GAP_LOW 0.2051 0.0 pantoprazole Low-priority: Computational docking sodium_tetradecyl_sulfate vs barretts_esophagus targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against barretts_esophagus pathway. prochlorperazine pancreatitis GAP_HIGH 0.205 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in pancreatitis cell model. Expected: similar to mequitazine (Jaccard=0.75) l-methionine allergic_rhinitis GAP_HIGH 0.205 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol duodenum_cancer GAP_HIGH 0.205 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.58) atenolol gallbladder_cancer GAP_HIGH 0.205 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.58) dasatinib thymus_cancer GAP_HIGH 0.205 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in thymus_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) trilostane head_and_neck_cancer GAP_HIGH 0.205 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) trilostane malignant_glioma GAP_HIGH 0.205 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in malignant_glioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) chlorthalidone psoriasis GAP_HIGH 0.205 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in psoriasis cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone ulcerative_colitis GAP_HIGH 0.205 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in ulcerative_colitis cell model. Expected: similar to clozapine (Jaccard=0.50) methylphenobarbital alzheimers_disease GAP_HIGH 0.205 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in alzheimers_disease cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital parkinsons_disease GAP_HIGH 0.205 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in parkinsons_disease cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine alzheimers_disease GAP_HIGH 0.205 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in alzheimers_disease cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine parkinsons_disease GAP_HIGH 0.205 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in parkinsons_disease cell model. Expected: similar to propafenone (Jaccard=0.44) aprobarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.205 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal focal_segmental_glomerulosclerosis GAP_HIGH 0.205 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) alprazolam sclerosing_cholangitis GAP_HIGH 0.2049 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) chlorthalidone osteoporosis GAP_HIGH 0.2049 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in osteoporosis cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone ovarian_cancer GAP_HIGH 0.2049 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in ovarian_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone uterine_cancer GAP_HIGH 0.2049 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) methylphenobarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.2049 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital autistic_disorder GAP_HIGH 0.2049 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in autistic_disorder cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital nicotine_dependence GAP_HIGH 0.2049 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in nicotine_dependence cell model. Expected: similar to milnacipran (Jaccard=0.45) papaverine endogenous_depression GAP_HIGH 0.2049 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in endogenous_depression cell model. Expected: similar to bevantolol (Jaccard=0.45) papaverine osteoporosis GAP_HIGH 0.2049 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in osteoporosis cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine amyotrophic_lateral_sclerosis GAP_HIGH 0.2049 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine autistic_disorder GAP_HIGH 0.2049 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in autistic_disorder cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine nicotine_dependence GAP_HIGH 0.2049 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in nicotine_dependence cell model. Expected: similar to propafenone (Jaccard=0.44) heptabarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.2049 0.36363636363636365 loxapine High-priority: Binding assay heptabarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.36) butabarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.2049 0.36 loxapine High-priority: Binding assay butabarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.36) polythiazide sclerosing_cholangitis GAP_HIGH 0.2049 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.33) l-methionine osteoporosis GAP_HIGH 0.2048 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine ovarian_cancer GAP_HIGH 0.2048 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine uterine_cancer GAP_HIGH 0.2048 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) ethynodiol dilated_cardiomyopathy GAP_HIGH 0.2048 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.47) triamterene thyroid_cancer GAP_HIGH 0.2048 0.375 probenecid High-priority: Binding assay triamterene→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) thiamylal pancreatitis GAP_HIGH 0.2048 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in pancreatitis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextrothyroxine pharynx_cancer GAP_HIGH 0.2048 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) l-methionine migraine GAP_HIGH 0.2047 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine sarcoma GAP_HIGH 0.2047 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.60) methylphenobarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.2047 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine attention_deficit_hyperactivity_disorder GAP_HIGH 0.2047 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to propafenone (Jaccard=0.44) amiloride esophageal_cancer GAP_HIGH 0.2047 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) atenolol creutzfeldt-jakob_disease GAP_HIGH 0.2046 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.58) atenolol sclerosing_cholangitis GAP_HIGH 0.2046 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.58) doxapram duodenum_cancer GAP_HIGH 0.2046 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.44) doxapram gallbladder_cancer GAP_HIGH 0.2046 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.44) doxapram melanoma GAP_HIGH 0.2046 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.44) polythiazide pharynx_cancer GAP_HIGH 0.2046 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) telbivudine nephrolithiasis GAP_HIGH 0.2046 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in nephrolithiasis cell model. Expected: similar to gemcitabine (Jaccard=0.29) acetic_acid melanoma GAP_HIGH 0.2046 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in melanoma cell model. Expected: similar to hydroxyurea (Jaccard=0.25) nilotinib melanoma GAP_HIGH 0.2045 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in melanoma cell model. Expected: similar to sunitinib (Jaccard=0.57) dihomo-gamma-linolenic_acid salivary_gland_cancer GAP_HIGH 0.2045 0.46153846153846156 carboprost_tromethamine High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.46) clobazam chronic_kidney_failure GAP_HIGH 0.2044 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.63) teniposide hematologic_cancer GAP_HIGH 0.2044 0.5714285714285714 podofilox High-priority: Binding assay teniposide→?; validate in hematologic_cancer cell model. Expected: similar to podofilox (Jaccard=0.57) chlorthalidone vaginal_cancer GAP_HIGH 0.2044 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlorthalidone vulva_cancer GAP_HIGH 0.2044 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) norelgestromin head_and_neck_cancer GAP_HIGH 0.2044 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) methylphenobarbital asthma GAP_HIGH 0.2044 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in asthma cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital panic_disorder GAP_HIGH 0.2044 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in panic_disorder cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital schizophrenia GAP_HIGH 0.2044 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in schizophrenia cell model. Expected: similar to milnacipran (Jaccard=0.45) papaverine osteoarthritis GAP_HIGH 0.2044 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in osteoarthritis cell model. Expected: similar to bevantolol (Jaccard=0.45) regadenoson prostate_cancer GAP_HIGH 0.2044 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) ranolazine asthma GAP_HIGH 0.2044 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in asthma cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine panic_disorder GAP_HIGH 0.2044 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in panic_disorder cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine schizophrenia GAP_HIGH 0.2044 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in schizophrenia cell model. Expected: similar to propafenone (Jaccard=0.44) emtricitabine melanoma GAP_HIGH 0.2044 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in melanoma cell model. Expected: similar to telbivudine (Jaccard=0.33) polythiazide ankylosing_spondylitis GAP_HIGH 0.2044 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.33) l-methionine osteoarthritis GAP_HIGH 0.2043 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine skin_cancer GAP_HIGH 0.2043 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) isoetarine alzheimers_disease GAP_HIGH 0.2043 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in alzheimers_disease cell model. Expected: similar to salbutamol (Jaccard=0.57) isoetarine parkinsons_disease GAP_HIGH 0.2043 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in parkinsons_disease cell model. Expected: similar to salbutamol (Jaccard=0.57) chlorthalidone testicular_cancer GAP_HIGH 0.2043 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) methylphenobarbital atopic_dermatitis GAP_HIGH 0.2043 0.45454545454545453 remifentanil High-priority: Binding assay methylphenobarbital→?; validate in atopic_dermatitis cell model. Expected: similar to remifentanil (Jaccard=0.45) methylphenobarbital conduct_disorder GAP_HIGH 0.2043 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in conduct_disorder cell model. Expected: similar to milnacipran (Jaccard=0.45) papaverine vaginal_cancer GAP_HIGH 0.2043 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in vaginal_cancer cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine atopic_dermatitis GAP_HIGH 0.2043 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in atopic_dermatitis cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine breast_cancer GAP_HIGH 0.2043 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in breast_cancer cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine conduct_disorder GAP_HIGH 0.2043 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in conduct_disorder cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine ankylosing_spondylitis GAP_HIGH 0.2043 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.44) papaverine crohns_disease GAP_HIGH 0.2043 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in crohns_disease cell model. Expected: similar to clotrimazole (Jaccard=0.43) estriol alopecia_areata GAP_HIGH 0.2043 0.375 estrone High-priority: Binding assay estriol→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.38) mephentermine atherosclerosis GAP_HIGH 0.2043 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.38) triamterene muscle_cancer GAP_HIGH 0.2043 0.375 probenecid High-priority: Binding assay triamterene→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) polythiazide thyroid_cancer GAP_HIGH 0.2043 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal alzheimers_disease GAP_HIGH 0.2043 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in alzheimers_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal parkinsons_disease GAP_HIGH 0.2043 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in parkinsons_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.33) pirenzepine type_2_diabetes_mellitus GAP_HIGH 0.2042 0.7857142857142857 zuclopenthixol High-priority: Binding assay pirenzepine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to zuclopenthixol (Jaccard=0.79) acetophenazine gilles_de_la_tourette_syndrome GAP_HIGH 0.2042 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.67) l-methionine testicular_cancer GAP_HIGH 0.2042 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine vaginal_cancer GAP_HIGH 0.2042 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) l-methionine vulva_cancer GAP_HIGH 0.2042 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol ankylosing_spondylitis GAP_HIGH 0.2042 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.58) methylphenobarbital allergic_rhinitis GAP_HIGH 0.2042 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in allergic_rhinitis cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital bipolar_disorder GAP_HIGH 0.2042 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in bipolar_disorder cell model. Expected: similar to milnacipran (Jaccard=0.45) papaverine testicular_cancer GAP_HIGH 0.2042 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in testicular_cancer cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine allergic_rhinitis GAP_HIGH 0.2042 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in allergic_rhinitis cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine bipolar_disorder GAP_HIGH 0.2042 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in bipolar_disorder cell model. Expected: similar to propafenone (Jaccard=0.44) thiamylal amyotrophic_lateral_sclerosis GAP_HIGH 0.2042 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal autistic_disorder GAP_HIGH 0.2042 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in autistic_disorder cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal nicotine_dependence GAP_HIGH 0.2042 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in nicotine_dependence cell model. Expected: similar to fosphenytoin (Jaccard=0.33) acetylcysteine refractive_error GAP_HIGH 0.2042 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in refractive_error cell model. Expected: similar to l-histidine (Jaccard=0.32) dextrothyroxine salivary_gland_cancer GAP_HIGH 0.2042 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) dasatinib melanoma GAP_HIGH 0.2041 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in melanoma cell model. Expected: similar to crizotinib (Jaccard=0.58) nilotinib sclerosing_cholangitis GAP_HIGH 0.2041 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to sunitinib (Jaccard=0.57) alprazolam pancreatitis GAP_HIGH 0.2041 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in pancreatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) methylphenobarbital endogenous_depression GAP_HIGH 0.2041 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in endogenous_depression cell model. Expected: similar to milnacipran (Jaccard=0.45) papaverine vascular_cancer GAP_HIGH 0.2041 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in vascular_cancer cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine endogenous_depression GAP_HIGH 0.2041 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in endogenous_depression cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine psoriasis GAP_HIGH 0.2041 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in psoriasis cell model. Expected: similar to propafenone (Jaccard=0.44) dronedarone melanoma GAP_HIGH 0.2041 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in melanoma cell model. Expected: similar to proparacaine (Jaccard=0.42) propofol membranous_glomerulonephritis GAP_HIGH 0.2041 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) dextrothyroxine muscle_cancer GAP_HIGH 0.2041 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in muscle_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) l-methionine vascular_cancer GAP_HIGH 0.204 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.60) ranolazine osteoporosis GAP_HIGH 0.204 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in osteoporosis cell model. Expected: similar to propafenone (Jaccard=0.44) quinestrol germ_cell_cancer GAP_HIGH 0.204 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in germ_cell_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) cytarabine malignant_mesothelioma GAP_HIGH 0.204 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in malignant_mesothelioma cell model. Expected: similar to telbivudine (Jaccard=0.40) polythiazide pancreatitis GAP_HIGH 0.204 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal attention_deficit_hyperactivity_disorder GAP_HIGH 0.204 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextrothyroxine rectum_cancer GAP_HIGH 0.204 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in rectum_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) prochlorperazine breast_cancer GAP_HIGH 0.2039 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in breast_cancer cell model. Expected: similar to mequitazine (Jaccard=0.75) atenolol epilepsy_syndrome GAP_HIGH 0.2039 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.58) chlorthalidone uterine_fibroid GAP_HIGH 0.2039 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.50) dihomo-gamma-linolenic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.2039 0.46153846153846156 carboprost_tromethamine High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.46) ranolazine pancreatitis GAP_HIGH 0.2039 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in pancreatitis cell model. Expected: similar to propranolol (Jaccard=0.44) glisoxepide osteoporosis GAP_HIGH 0.2039 0.375 chlorpropamide High-priority: Binding assay glisoxepide→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.38) acetic_acid pharynx_cancer GAP_HIGH 0.2039 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in pharynx_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine ocular_cancer GAP_HIGH 0.2039 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in ocular_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) prednisone crohns_disease GAP_HIGH 0.2038 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in crohns_disease cell model. Expected: similar to testolactone (Jaccard=0.82) papaverine uterine_fibroid GAP_HIGH 0.2038 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in uterine_fibroid cell model. Expected: similar to bevantolol (Jaccard=0.45) ranolazine salivary_gland_cancer GAP_HIGH 0.2038 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) spirapril hematologic_cancer GAP_HIGH 0.2038 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.38) spirapril narcolepsy GAP_HIGH 0.2038 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.38) triamterene urinary_bladder_cancer GAP_HIGH 0.2038 0.375 probenecid High-priority: Binding assay triamterene→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) polythiazide muscle_cancer GAP_HIGH 0.2038 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in muscle_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) orlistat refractive_error GAP_HIGH 0.2038 0.25 dihomo-gamma-linolenic_acid High-priority: Binding assay orlistat→?; validate in refractive_error cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.25) prochlorperazine psoriasis GAP_HIGH 0.2037 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in psoriasis cell model. Expected: similar to mequitazine (Jaccard=0.75) l-methionine uterine_fibroid GAP_HIGH 0.2037 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.60) isoetarine asthma GAP_HIGH 0.2037 0.5714285714285714 norepinephrine High-priority: Binding assay isoetarine→?; validate in asthma cell model. Expected: similar to norepinephrine (Jaccard=0.57) sulfaphenazole vaginal_cancer GAP_HIGH 0.2037 0.5714285714285714 vismodegib High-priority: Binding assay sulfaphenazole→?; validate in vaginal_cancer cell model. Expected: similar to vismodegib (Jaccard=0.57) sulfaphenazole vulva_cancer GAP_HIGH 0.2037 0.5714285714285714 vismodegib High-priority: Binding assay sulfaphenazole→?; validate in vulva_cancer cell model. Expected: similar to vismodegib (Jaccard=0.57) quinacrine atherosclerosis GAP_HIGH 0.2037 0.45161290322580644 flurbiprofen High-priority: Binding assay quinacrine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.45) phenobarbital asthma GAP_HIGH 0.2037 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in asthma cell model. Expected: similar to ethotoin (Jaccard=0.45) phenobarbital conduct_disorder GAP_HIGH 0.2037 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in conduct_disorder cell model. Expected: similar to ethotoin (Jaccard=0.45) papaverine mediastinal_cancer GAP_HIGH 0.2037 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) heptabarbital panic_disorder GAP_HIGH 0.2037 0.4 amodiaquine High-priority: Binding assay heptabarbital→?; validate in panic_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.40) heptabarbital schizophrenia GAP_HIGH 0.2037 0.4 amodiaquine High-priority: Binding assay heptabarbital→?; validate in schizophrenia cell model. Expected: similar to amodiaquine (Jaccard=0.40) triamterene attention_deficit_hyperactivity_disorder GAP_HIGH 0.2037 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.38) polythiazide lung_cancer GAP_HIGH 0.2037 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide rectum_cancer GAP_HIGH 0.2037 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal asthma GAP_HIGH 0.2037 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in asthma cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal breast_cancer GAP_HIGH 0.2037 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in breast_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal conduct_disorder GAP_HIGH 0.2037 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in conduct_disorder cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal panic_disorder GAP_HIGH 0.2037 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in panic_disorder cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal schizophrenia GAP_HIGH 0.2037 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in schizophrenia cell model. Expected: similar to fosphenytoin (Jaccard=0.33) quazepam membranous_glomerulonephritis GAP_HIGH 0.2037 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.32) alpha-linolenic_acid polycystic_ovary_syndrome GAP_HIGH 0.2037 0.3 orlistat High-priority: Binding assay alpha-linolenic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to orlistat (Jaccard=0.30) acetic_acid thyroid_cancer GAP_HIGH 0.2037 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in thyroid_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) methacholine celiac_disease GAP_HIGH 0.2037 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in celiac_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) isoetarine hypertension GAP_HIGH 0.2036 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in hypertension cell model. Expected: similar to salbutamol (Jaccard=0.57) sulfaphenazole vascular_cancer GAP_HIGH 0.2036 0.5714285714285714 vismodegib High-priority: Binding assay sulfaphenazole→?; validate in vascular_cancer cell model. Expected: similar to vismodegib (Jaccard=0.57) phenobarbital allergic_rhinitis GAP_HIGH 0.2036 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in allergic_rhinitis cell model. Expected: similar to ethotoin (Jaccard=0.45) phenobarbital atopic_dermatitis GAP_HIGH 0.2036 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in atopic_dermatitis cell model. Expected: similar to ethotoin (Jaccard=0.45) ranolazine ocular_cancer GAP_HIGH 0.2036 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) heptabarbital breast_cancer GAP_HIGH 0.2036 0.4 amodiaquine High-priority: Binding assay heptabarbital→?; validate in breast_cancer cell model. Expected: similar to amodiaquine (Jaccard=0.40) thiamylal allergic_rhinitis GAP_HIGH 0.2036 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in allergic_rhinitis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal atopic_dermatitis GAP_HIGH 0.2036 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in atopic_dermatitis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal colon_cancer GAP_HIGH 0.2036 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in colon_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal hypertension GAP_HIGH 0.2036 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in hypertension cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal stomach_cancer GAP_HIGH 0.2036 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in stomach_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextrothyroxine peripheral_nervous_system_neoplasm GAP_HIGH 0.2036 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methimazole (Jaccard=0.25) dextrothyroxine urinary_bladder_cancer GAP_HIGH 0.2036 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in urinary_bladder_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) atenolol lung_cancer GAP_HIGH 0.2035 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.58) prednicarbate penile_cancer GAP_HIGH 0.2035 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.55) chlorthalidone vitiligo GAP_HIGH 0.2035 0.5 clozapine High-priority: Binding assay chlorthalidone→?; validate in vitiligo cell model. Expected: similar to clozapine (Jaccard=0.50) amodiaquine hematologic_cancer GAP_HIGH 0.2035 0.45161290322580644 flurbiprofen High-priority: Binding assay amodiaquine→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.45) papaverine vitiligo GAP_HIGH 0.2035 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in vitiligo cell model. Expected: similar to bevantolol (Jaccard=0.45) papaverine thymus_cancer GAP_HIGH 0.2035 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) heptabarbital bipolar_disorder GAP_HIGH 0.2035 0.4 amodiaquine High-priority: Binding assay heptabarbital→?; validate in bipolar_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.40) heptabarbital pancreatic_cancer GAP_HIGH 0.2035 0.4 quinacrine High-priority: Binding assay heptabarbital→?; validate in pancreatic_cancer cell model. Expected: similar to quinacrine (Jaccard=0.40) polythiazide liver_cancer GAP_HIGH 0.2035 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal bipolar_disorder GAP_HIGH 0.2035 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in bipolar_disorder cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal endogenous_depression GAP_HIGH 0.2035 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in endogenous_depression cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal pancreatic_cancer GAP_HIGH 0.2035 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in pancreatic_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) prednisone prostate_cancer GAP_HIGH 0.2034 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in prostate_cancer cell model. Expected: similar to testolactone (Jaccard=0.82) l-methionine polycystic_ovary_syndrome GAP_HIGH 0.2034 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.60) salbutamol amyotrophic_lateral_sclerosis GAP_HIGH 0.2034 0.5714285714285714 terbutaline High-priority: Binding assay salbutamol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to terbutaline (Jaccard=0.57) ranolazine testicular_cancer GAP_HIGH 0.2034 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in testicular_cancer cell model. Expected: similar to propafenone (Jaccard=0.44) papaverine coronary_artery_disease GAP_HIGH 0.2034 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine hematologic_cancer GAP_HIGH 0.2034 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) triamterene breast_cancer GAP_HIGH 0.2034 0.375 phenmetrazine High-priority: Binding assay triamterene→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.38) thiamylal multiple_sclerosis GAP_HIGH 0.2034 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in multiple_sclerosis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal osteoporosis GAP_HIGH 0.2034 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in osteoporosis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal ovarian_cancer GAP_HIGH 0.2034 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in ovarian_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal psoriasis GAP_HIGH 0.2034 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in psoriasis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) acetic_acid pancreatitis GAP_HIGH 0.2034 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in pancreatitis cell model. Expected: similar to hydroxyurea (Jaccard=0.25) atenolol alzheimers_disease GAP_HIGH 0.2033 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.58) ribavirin thyroid_cancer GAP_HIGH 0.2033 0.47619047619047616 clofarabine High-priority: Binding assay ribavirin→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) papaverine rheumatoid_arthritis GAP_HIGH 0.2033 0.45 bevantolol High-priority: Binding assay papaverine→?; validate in rheumatoid_arthritis cell model. Expected: similar to bevantolol (Jaccard=0.45) phenobarbital multiple_sclerosis GAP_HIGH 0.2033 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in multiple_sclerosis cell model. Expected: similar to ethotoin (Jaccard=0.45) phenobarbital osteoporosis GAP_HIGH 0.2033 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in osteoporosis cell model. Expected: similar to ethotoin (Jaccard=0.45) benazepril autistic_disorder GAP_HIGH 0.2033 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.43) benazepril nicotine_dependence GAP_HIGH 0.2033 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.43) heptabarbital multiple_sclerosis GAP_HIGH 0.2033 0.4 amodiaquine High-priority: Binding assay heptabarbital→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.40) triamterene hypertension GAP_HIGH 0.2033 0.375 tranylcypromine High-priority: Binding assay triamterene→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.38) amobarbital chronic_kidney_failure GAP_HIGH 0.2033 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.36) acetic_acid salivary_gland_cancer GAP_HIGH 0.2033 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) prednisone gout GAP_HIGH 0.2032 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in gout cell model. Expected: similar to testolactone (Jaccard=0.82) l-methionine rheumatoid_arthritis GAP_HIGH 0.2032 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.60) atenolol autistic_disorder GAP_HIGH 0.2032 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.58) atenolol nicotine_dependence GAP_HIGH 0.2032 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.58) nilotinib pancreatitis GAP_HIGH 0.2032 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in pancreatitis cell model. Expected: similar to sunitinib (Jaccard=0.57) sotalol larynx_cancer GAP_HIGH 0.2032 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) methylphenobarbital obesity GAP_HIGH 0.2032 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in obesity cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine peripheral_nervous_system_neoplasm GAP_HIGH 0.2032 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.44) ranolazine urinary_bladder_cancer GAP_HIGH 0.2032 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) dronedarone thyroid_cancer GAP_HIGH 0.2032 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in thyroid_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) l-asparagine glaucoma GAP_HIGH 0.2032 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.37) emtricitabine pancreatitis GAP_HIGH 0.2032 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in pancreatitis cell model. Expected: similar to telbivudine (Jaccard=0.33) acetic_acid muscle_cancer GAP_HIGH 0.2032 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in muscle_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dihomo-gamma-linolenic_acid sarcoma GAP_HIGH 0.2031 0.46153846153846156 carboprost_tromethamine High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in sarcoma cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.46) methylphenobarbital systemic_scleroderma GAP_HIGH 0.2031 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in systemic_scleroderma cell model. Expected: similar to milnacipran (Jaccard=0.45) regadenoson duodenum_cancer GAP_HIGH 0.2031 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) regadenoson gallbladder_cancer GAP_HIGH 0.2031 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) doxapram lung_cancer GAP_HIGH 0.2031 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in lung_cancer cell model. Expected: similar to benzatropine (Jaccard=0.44) doxapram rectum_cancer GAP_HIGH 0.2031 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.44) acetic_acid rectum_cancer GAP_HIGH 0.2031 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in rectum_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine stomach_cancer GAP_HIGH 0.2031 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in stomach_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) prednisone coronary_artery_disease GAP_HIGH 0.203 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in coronary_artery_disease cell model. Expected: similar to testolactone (Jaccard=0.82) clobazam membranous_glomerulonephritis GAP_HIGH 0.203 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) atenolol attention_deficit_hyperactivity_disorder GAP_HIGH 0.203 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.58) isoetarine metabolic_syndrome_x GAP_HIGH 0.203 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in metabolic_syndrome_x cell model. Expected: similar to salbutamol (Jaccard=0.57) alprazolam asthma GAP_HIGH 0.203 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in asthma cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) benazepril attention_deficit_hyperactivity_disorder GAP_HIGH 0.203 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.43) tolazamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.203 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.40) thiamylal metabolic_syndrome_x GAP_HIGH 0.203 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in metabolic_syndrome_x cell model. Expected: similar to fosphenytoin (Jaccard=0.33) acetic_acid ocular_cancer GAP_HIGH 0.203 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in ocular_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) triamterene pagets_disease_of_bone GAP_HIGH 0.203 0.2 histamine_phosphate High-priority: Binding assay triamterene→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) prednisone hematologic_cancer GAP_HIGH 0.2029 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in hematologic_cancer cell model. Expected: similar to testolactone (Jaccard=0.82) prochlorperazine vascular_cancer GAP_HIGH 0.2029 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in vascular_cancer cell model. Expected: similar to mequitazine (Jaccard=0.75) l-methionine psoriatic_arthritis GAP_HIGH 0.2029 0.5967741935483871 l-serine High-priority: Binding assay l-methionine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.60) nilotinib lung_cancer GAP_HIGH 0.2029 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) nilotinib rectum_cancer GAP_HIGH 0.2029 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in rectum_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) salbutamol breast_cancer GAP_HIGH 0.2029 0.5714285714285714 terbutaline High-priority: Binding assay salbutamol→?; validate in breast_cancer cell model. Expected: similar to terbutaline (Jaccard=0.57) alprazolam atopic_dermatitis GAP_HIGH 0.2029 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in atopic_dermatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) alprazolam hypertension GAP_HIGH 0.2029 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in hypertension cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) doxapram liver_cancer GAP_HIGH 0.2029 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.44) dronedarone pancreatitis GAP_HIGH 0.2029 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in pancreatitis cell model. Expected: similar to proparacaine (Jaccard=0.42) prazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.2029 0.4117647058823529 fludiazepam High-priority: Binding assay prazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.41) polythiazide colon_cancer GAP_HIGH 0.2029 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in colon_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide stomach_cancer GAP_HIGH 0.2029 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal osteoarthritis GAP_HIGH 0.2029 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in osteoarthritis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) acetic_acid liver_cancer GAP_HIGH 0.2029 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in liver_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine uterine_cancer GAP_HIGH 0.2029 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in uterine_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) orphenadrine migraine GAP_HIGH 0.2028 0.6666666666666666 doxylamine High-priority: Binding assay orphenadrine→?; validate in migraine cell model. Expected: similar to doxylamine (Jaccard=0.67) nilotinib liver_cancer GAP_HIGH 0.2028 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in liver_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) trilostane germ_cell_cancer GAP_HIGH 0.2028 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in germ_cell_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) phenobarbital osteoarthritis GAP_HIGH 0.2028 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in osteoarthritis cell model. Expected: similar to ethotoin (Jaccard=0.45) aprobarbital chronic_kidney_failure GAP_HIGH 0.2028 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal chronic_kidney_failure GAP_HIGH 0.2028 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.36) polythiazide pancreatic_cancer GAP_HIGH 0.2028 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal testicular_cancer GAP_HIGH 0.2028 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in testicular_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextrothyroxine sarcoma GAP_HIGH 0.2028 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in sarcoma cell model. Expected: similar to methimazole (Jaccard=0.25) atenolol conduct_disorder GAP_HIGH 0.2027 0.5833333333333334 melphalan High-priority: Binding assay atenolol→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.58) atenolol panic_disorder GAP_HIGH 0.2027 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.58) atenolol schizophrenia GAP_HIGH 0.2027 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.58) alprazolam osteoporosis GAP_HIGH 0.2027 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in osteoporosis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) alprazolam psoriasis GAP_HIGH 0.2027 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) dihomo-gamma-linolenic_acid skin_cancer GAP_HIGH 0.2027 0.46153846153846156 carboprost_tromethamine High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in skin_cancer cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.46) methylphenobarbital polycystic_ovary_syndrome GAP_HIGH 0.2027 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to milnacipran (Jaccard=0.45) methylphenobarbital type_2_diabetes_mellitus GAP_HIGH 0.2027 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to milnacipran (Jaccard=0.45) doxapram peripheral_nervous_system_neoplasm GAP_HIGH 0.2027 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.44) benazepril conduct_disorder GAP_HIGH 0.2027 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.43) dronedarone muscle_cancer GAP_HIGH 0.2027 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in muscle_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) dextropropoxyphene crohns_disease GAP_HIGH 0.2027 0.3333333333333333 mepenzolate High-priority: Binding assay dextropropoxyphene→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.33) polythiazide psoriasis GAP_HIGH 0.2027 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in psoriasis cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide ulcerative_colitis GAP_HIGH 0.2027 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.33) acetic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.2027 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to hydroxyurea (Jaccard=0.25) acetic_acid urinary_bladder_cancer GAP_HIGH 0.2027 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) oxazepam coronary_artery_disease GAP_HIGH 0.2026 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in coronary_artery_disease cell model. Expected: similar to temazepam (Jaccard=0.67) atenolol colon_cancer GAP_HIGH 0.2026 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.58) isoetarine obesity GAP_HIGH 0.2026 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in obesity cell model. Expected: similar to salbutamol (Jaccard=0.57) methylphenobarbital vitiligo GAP_HIGH 0.2026 0.45454545454545453 milnacipran High-priority: Binding assay methylphenobarbital→?; validate in vitiligo cell model. Expected: similar to milnacipran (Jaccard=0.45) ranolazine vitiligo GAP_HIGH 0.2026 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in vitiligo cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine pancreatic_cancer GAP_HIGH 0.2026 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in pancreatic_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) benazepril bipolar_disorder GAP_HIGH 0.2026 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.43) papaverine melanoma GAP_HIGH 0.2026 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.43) dronedarone lung_cancer GAP_HIGH 0.2026 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in lung_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) quinestrol meningioma GAP_HIGH 0.2026 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in meningioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) cilazapril hepatitis_b GAP_HIGH 0.2026 0.375 trandolapril High-priority: Binding assay cilazapril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.38) amiloride head_and_neck_cancer GAP_HIGH 0.2026 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride malignant_glioma GAP_HIGH 0.2026 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.33) polythiazide osteoporosis GAP_HIGH 0.2026 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide ovarian_cancer GAP_HIGH 0.2026 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in ovarian_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) polythiazide uterine_cancer GAP_HIGH 0.2026 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal obesity GAP_HIGH 0.2026 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in obesity cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal vascular_cancer GAP_HIGH 0.2026 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in vascular_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.33) telbivudine germ_cell_cancer GAP_HIGH 0.2026 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) oxazepam narcolepsy GAP_HIGH 0.2025 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in narcolepsy cell model. Expected: similar to temazepam (Jaccard=0.67) atenolol bipolar_disorder GAP_HIGH 0.2025 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.58) dasatinib rectum_cancer GAP_HIGH 0.2025 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in rectum_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) salbutamol ovarian_cancer GAP_HIGH 0.2025 0.5714285714285714 terbutaline High-priority: Binding assay salbutamol→?; validate in ovarian_cancer cell model. Expected: similar to terbutaline (Jaccard=0.57) ranolazine multiple_sclerosis GAP_HIGH 0.2025 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in multiple_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.44) benazepril endogenous_depression GAP_HIGH 0.2025 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.43) cytarabine mediastinal_cancer GAP_HIGH 0.2025 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in mediastinal_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) cytarabine primary_biliary_cirrhosis GAP_HIGH 0.2025 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to telbivudine (Jaccard=0.40) heptabarbital coronary_artery_disease GAP_HIGH 0.2025 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.38) triamterene testicular_cancer GAP_HIGH 0.2025 0.375 probenecid High-priority: Binding assay triamterene→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) triamterene vaginal_cancer GAP_HIGH 0.2025 0.375 probenecid High-priority: Binding assay triamterene→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) clozapine gout GAP_HIGH 0.2024 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.77) atenolol endogenous_depression GAP_HIGH 0.2024 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.58) alprazolam systemic_lupus_erythematosus GAP_HIGH 0.2024 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) prednicarbate crohns_disease GAP_HIGH 0.2024 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.55) ranolazine rheumatoid_arthritis GAP_HIGH 0.2024 0.4444444444444444 propafenone High-priority: Binding assay ranolazine→?; validate in rheumatoid_arthritis cell model. Expected: similar to propafenone (Jaccard=0.44) ranolazine sarcoma GAP_HIGH 0.2024 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.44) dronedarone liver_cancer GAP_HIGH 0.2024 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) cytarabine thymus_cancer GAP_HIGH 0.2024 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in thymus_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) amiloride nephrolithiasis GAP_HIGH 0.2024 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.33) sodium_lauryl_sulfate creutzfeldt-jakob_disease GAP_HIGH 0.2024 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tetrabenazine (Jaccard=0.33) thiamylal systemic_scleroderma GAP_HIGH 0.2024 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in systemic_scleroderma cell model. Expected: similar to fosphenytoin (Jaccard=0.33) dextrothyroxine skin_cancer GAP_HIGH 0.2024 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in skin_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) atenolol multiple_sclerosis GAP_HIGH 0.2023 0.5833333333333334 suprofen High-priority: Binding assay atenolol→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.58) alprazolam metabolic_syndrome_x GAP_HIGH 0.2023 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) metaraminol salivary_gland_cancer GAP_HIGH 0.2023 0.42857142857142855 phenylephrine High-priority: Binding assay metaraminol→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylephrine (Jaccard=0.43) triamterene vascular_cancer GAP_HIGH 0.2023 0.375 probenecid High-priority: Binding assay triamterene→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.38) polythiazide systemic_lupus_erythematosus GAP_HIGH 0.2023 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to etoricoxib (Jaccard=0.33) dextrothyroxine vaginal_cancer GAP_HIGH 0.2023 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in vaginal_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) dextrothyroxine vulva_cancer GAP_HIGH 0.2023 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in vulva_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) prochlorperazine vitiligo GAP_HIGH 0.2022 0.75 mequitazine High-priority: Binding assay prochlorperazine→?; validate in vitiligo cell model. Expected: similar to mequitazine (Jaccard=0.75) ranolazine systemic_lupus_erythematosus GAP_HIGH 0.2022 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to propranolol (Jaccard=0.44) papaverine creutzfeldt-jakob_disease GAP_HIGH 0.2022 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clotrimazole (Jaccard=0.43) dronedarone urinary_bladder_cancer GAP_HIGH 0.2022 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in urinary_bladder_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) equilin duodenum_cancer GAP_HIGH 0.2022 0.3 testosterone High-priority: Binding assay equilin→?; validate in duodenum_cancer cell model. Expected: similar to testosterone (Jaccard=0.30) equilin gallbladder_cancer GAP_HIGH 0.2022 0.3 testosterone High-priority: Binding assay equilin→?; validate in gallbladder_cancer cell model. Expected: similar to testosterone (Jaccard=0.30) acetic_acid stomach_cancer GAP_HIGH 0.2022 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in stomach_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine testicular_cancer GAP_HIGH 0.2022 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in testicular_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) cortisone_acetate metabolic_syndrome_x GAP_HIGH 0.2021 0.6666666666666666 eplerenone High-priority: Binding assay cortisone_acetate→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.67) estriol brain_cancer GAP_HIGH 0.2021 0.375 estrone High-priority: Binding assay estriol→?; validate in brain_cancer cell model. Expected: similar to estrone (Jaccard=0.38) estriol intracranial_aneurysm GAP_HIGH 0.2021 0.375 estrone High-priority: Binding assay estriol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.38) polythiazide osteoarthritis GAP_HIGH 0.2021 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in osteoarthritis cell model. Expected: similar to etoricoxib (Jaccard=0.33) acetic_acid pancreatic_cancer GAP_HIGH 0.2021 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in pancreatic_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) dextrothyroxine vascular_cancer GAP_HIGH 0.2021 0.25 methimazole High-priority: Binding assay dextrothyroxine→?; validate in vascular_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) isoetarine polycystic_ovary_syndrome GAP_HIGH 0.202 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salbutamol (Jaccard=0.57) isoetarine type_2_diabetes_mellitus GAP_HIGH 0.202 0.5714285714285714 salbutamol High-priority: Binding assay isoetarine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salbutamol (Jaccard=0.57) teniposide lung_cancer GAP_HIGH 0.202 0.5714285714285714 podofilox High-priority: Binding assay teniposide→?; validate in lung_cancer cell model. Expected: similar to podofilox (Jaccard=0.57) ranolazine skin_cancer GAP_HIGH 0.202 0.4375 propranolol High-priority: Binding assay ranolazine→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.44) polythiazide testicular_cancer GAP_HIGH 0.202 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in testicular_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.33) thiamylal polycystic_ovary_syndrome GAP_HIGH 0.202 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal type_2_diabetes_mellitus GAP_HIGH 0.202 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to fosphenytoin (Jaccard=0.33) thiamylal vitiligo GAP_HIGH 0.202 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in vitiligo cell model. Expected: similar to fosphenytoin (Jaccard=0.33) telbivudine penile_cancer GAP_HIGH 0.202 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in penile_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) acetic_acid ulcerative_colitis GAP_HIGH 0.202 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in ulcerative_colitis cell model. Expected: similar to hydroxyurea (Jaccard=0.25) acetic_acid uterine_cancer GAP_HIGH 0.202 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in uterine_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) sulfanilamide metabolic_syndrome_x GAP_HIGH 0.2019 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clofibrate (Jaccard=0.60) nilotinib ulcerative_colitis GAP_HIGH 0.2019 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in ulcerative_colitis cell model. Expected: similar to sunitinib (Jaccard=0.57) alprazolam obesity GAP_HIGH 0.2019 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) ribavirin stomach_cancer GAP_HIGH 0.2019 0.47619047619047616 clofarabine High-priority: Binding assay ribavirin→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) doxapram sarcoma GAP_HIGH 0.2019 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.44) quinethazone vulva_cancer GAP_HIGH 0.2019 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay quinethazone→?; validate in vulva_cancer cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) propofol multiple_sclerosis GAP_HIGH 0.2019 0.42105263157894735 amodiaquine High-priority: Binding assay propofol→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.42) quinestrol idiopathic_pulmonary_fibrosis GAP_HIGH 0.2019 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) spirapril epilepsy_syndrome GAP_HIGH 0.2019 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.38) amobarbital membranous_glomerulonephritis GAP_HIGH 0.2019 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.2019 0.34782608695652173 loxapine High-priority: Binding assay amobarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.35) emtricitabine ulcerative_colitis GAP_HIGH 0.2019 0.3333333333333333 telbivudine High-priority: Binding assay emtricitabine→?; validate in ulcerative_colitis cell model. Expected: similar to telbivudine (Jaccard=0.33) acetic_acid ovarian_cancer GAP_HIGH 0.2019 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in ovarian_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) acetic_acid sarcoma GAP_HIGH 0.2019 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in sarcoma cell model. Expected: similar to hydroxyurea (Jaccard=0.25) nilotinib ovarian_cancer GAP_HIGH 0.2018 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in ovarian_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) prednicarbate primary_biliary_cirrhosis GAP_HIGH 0.2018 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.55) trimethoprim primary_biliary_cirrhosis GAP_HIGH 0.2018 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methotrexate (Jaccard=0.38) amodiaquine alcohol_dependence GAP_HIGH 0.2018 0.34146341463414637 mazindol High-priority: Binding assay amodiaquine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.34) dextropropoxyphene hematologic_cancer GAP_HIGH 0.2018 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) oxyphenonium coronary_artery_disease GAP_HIGH 0.2018 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in coronary_artery_disease cell model. Expected: similar to mirtazapine (Jaccard=0.33) thiamylal rheumatoid_arthritis GAP_HIGH 0.2018 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in rheumatoid_arthritis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) cortisone_acetate obesity GAP_HIGH 0.2017 0.6666666666666666 eplerenone High-priority: Binding assay cortisone_acetate→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.67) alprazolam systemic_scleroderma GAP_HIGH 0.2017 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in systemic_scleroderma cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) phenindione azoospermia GAP_HIGH 0.2017 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in azoospermia cell model. Expected: similar to oxaprozin (Jaccard=0.53) phenobarbital rheumatoid_arthritis GAP_HIGH 0.2017 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.45) metaraminol peripheral_nervous_system_neoplasm GAP_HIGH 0.2017 0.42857142857142855 phenylephrine High-priority: Binding assay metaraminol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylephrine (Jaccard=0.43) dronedarone stomach_cancer GAP_HIGH 0.2017 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in stomach_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) quinestrol mediastinal_cancer GAP_HIGH 0.2017 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) trimethoprim gout GAP_HIGH 0.2017 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.38) polythiazide systemic_scleroderma GAP_HIGH 0.2017 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in systemic_scleroderma cell model. Expected: similar to etoricoxib (Jaccard=0.33) nilotinib systemic_lupus_erythematosus GAP_HIGH 0.2016 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.57) prednicarbate coronary_artery_disease GAP_HIGH 0.2016 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.55) papaverine thyroid_cancer GAP_HIGH 0.2016 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) dronedarone pancreatic_cancer GAP_HIGH 0.2016 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in pancreatic_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) quinestrol thymus_cancer GAP_HIGH 0.2016 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) heptabarbital duodenum_cancer GAP_HIGH 0.2016 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital gallbladder_cancer GAP_HIGH 0.2016 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) clotiazepam alcohol_dependence GAP_HIGH 0.2016 0.375 fludiazepam High-priority: Binding assay clotiazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.38) perphenazine systemic_lupus_erythematosus GAP_HIGH 0.2015 0.8181818181818182 propericiazine High-priority: Binding assay perphenazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to propericiazine (Jaccard=0.82) paclitaxel kidney_cancer GAP_HIGH 0.2015 0.6 docetaxel High-priority: Binding assay paclitaxel→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.60) sulfanilamide obesity GAP_HIGH 0.2015 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in obesity cell model. Expected: similar to clofibrate (Jaccard=0.60) dasatinib ulcerative_colitis GAP_HIGH 0.2015 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in ulcerative_colitis cell model. Expected: similar to crizotinib (Jaccard=0.58) phenobarbital psoriatic_arthritis GAP_HIGH 0.2015 0.45 ethotoin High-priority: Binding assay phenobarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to ethotoin (Jaccard=0.45) amodiaquine prostate_cancer GAP_HIGH 0.2015 0.44 azelastine High-priority: Binding assay amodiaquine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) papaverine epilepsy_syndrome GAP_HIGH 0.2015 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in epilepsy_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.43) spirapril muscle_cancer GAP_HIGH 0.2015 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.38) thiamylal psoriatic_arthritis GAP_HIGH 0.2015 0.3333333333333333 fosphenytoin High-priority: Binding assay thiamylal→?; validate in psoriatic_arthritis cell model. Expected: similar to fosphenytoin (Jaccard=0.33) acetic_acid skin_cancer GAP_HIGH 0.2015 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in skin_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) aminophenazone barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking aminophenazone vs barretts_esophagus targets. Cross-check aminophenazone pharmacophore against barretts_esophagus pathway. clenbuterol barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking clenbuterol vs barretts_esophagus targets. Cross-check clenbuterol pharmacophore against barretts_esophagus pathway. equilin barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking equilin vs barretts_esophagus targets. Cross-check equilin pharmacophore against barretts_esophagus pathway. methohexital barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking methohexital vs barretts_esophagus targets. Cross-check methohexital pharmacophore against barretts_esophagus pathway. phenobarbital barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking phenobarbital vs barretts_esophagus targets. Cross-check phenobarbital pharmacophore against barretts_esophagus pathway. quazepam barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking quazepam vs barretts_esophagus targets. Cross-check quazepam pharmacophore against barretts_esophagus pathway. tetracycline barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking tetracycline vs barretts_esophagus targets. Cross-check tetracycline pharmacophore against barretts_esophagus pathway. thiamylal barretts_esophagus GAP_LOW 0.2015 0.0 pantoprazole Low-priority: Computational docking thiamylal vs barretts_esophagus targets. Cross-check thiamylal pharmacophore against barretts_esophagus pathway. oxazepam sclerosing_cholangitis GAP_HIGH 0.2014 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.67) dasatinib ovarian_cancer GAP_HIGH 0.2014 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in ovarian_cancer cell model. Expected: similar to crizotinib (Jaccard=0.58) mestranol alopecia_areata GAP_HIGH 0.2014 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in alopecia_areata cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) trilostane meningioma GAP_HIGH 0.2014 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in meningioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine hematologic_cancer GAP_HIGH 0.2014 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in hematologic_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine narcolepsy GAP_HIGH 0.2014 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.55) quinethazone uterine_fibroid GAP_HIGH 0.2014 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay quinethazone→?; validate in uterine_fibroid cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) dronedarone sarcoma GAP_HIGH 0.2014 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in sarcoma cell model. Expected: similar to proparacaine (Jaccard=0.42) cytarabine melanoma GAP_HIGH 0.2014 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in melanoma cell model. Expected: similar to telbivudine (Jaccard=0.40) estriol duodenum_cancer GAP_HIGH 0.2014 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in duodenum_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol gallbladder_cancer GAP_HIGH 0.2014 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in gallbladder_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) methsuximide malaria GAP_HIGH 0.2014 0.3888888888888889 methylphenobarbital High-priority: Binding assay methsuximide→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.39) aprobarbital membranous_glomerulonephritis GAP_HIGH 0.2014 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal membranous_glomerulonephritis GAP_HIGH 0.2014 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) acetic_acid vaginal_cancer GAP_HIGH 0.2014 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in vaginal_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) acetic_acid vulva_cancer GAP_HIGH 0.2014 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in vulva_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) prednisone ankylosing_spondylitis GAP_HIGH 0.2013 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in ankylosing_spondylitis cell model. Expected: similar to testolactone (Jaccard=0.82) benzatropine coronary_artery_disease GAP_HIGH 0.2013 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.62) salbutamol restless_legs_syndrome GAP_HIGH 0.2013 0.5714285714285714 terbutaline High-priority: Binding assay salbutamol→?; validate in restless_legs_syndrome cell model. Expected: similar to terbutaline (Jaccard=0.57) alprazolam type_2_diabetes_mellitus GAP_HIGH 0.2013 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) alprazolam vitiligo GAP_HIGH 0.2013 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) papaverine pancreatitis GAP_HIGH 0.2013 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in pancreatitis cell model. Expected: similar to clotrimazole (Jaccard=0.43) propofol coronary_artery_disease GAP_HIGH 0.2013 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.40) heptabarbital creutzfeldt-jakob_disease GAP_HIGH 0.2013 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.38) aprobarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.2013 0.34782608695652173 loxapine High-priority: Binding assay aprobarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.35) butethal gilles_de_la_tourette_syndrome GAP_HIGH 0.2013 0.34782608695652173 loxapine High-priority: Binding assay butethal→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.35) quazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.2013 0.29411764705882354 fludiazepam High-priority: Binding assay quazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.29) acetic_acid testicular_cancer GAP_HIGH 0.2013 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in testicular_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) phenformin atherosclerosis GAP_HIGH 0.2012 0.5 phentermine High-priority: Binding assay phenformin→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.50) ribavirin skin_cancer GAP_HIGH 0.2012 0.47619047619047616 clofarabine High-priority: Binding assay ribavirin→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) estriol malignant_glioma GAP_HIGH 0.2012 0.375 estrone High-priority: Binding assay estriol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.38) spirapril autistic_disorder GAP_HIGH 0.2012 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) spirapril nicotine_dependence GAP_HIGH 0.2012 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.38) polythiazide vitiligo GAP_HIGH 0.2012 0.3333333333333333 etoricoxib High-priority: Binding assay polythiazide→?; validate in vitiligo cell model. Expected: similar to etoricoxib (Jaccard=0.33) equilin chronic_obstructive_pulmonary_disease GAP_HIGH 0.2012 0.3 testosterone High-priority: Binding assay equilin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to testosterone (Jaccard=0.30) telbivudine meningioma GAP_HIGH 0.2012 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in meningioma cell model. Expected: similar to gemcitabine (Jaccard=0.29) acetic_acid vascular_cancer GAP_HIGH 0.2012 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in vascular_cancer cell model. Expected: similar to hydroxyurea (Jaccard=0.25) prednisone chronic_obstructive_pulmonary_disease GAP_HIGH 0.2011 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to testolactone (Jaccard=0.82) cortisone_acetate type_2_diabetes_mellitus GAP_HIGH 0.2011 0.6666666666666666 eplerenone High-priority: Binding assay cortisone_acetate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.67) azacitidine osteoporosis GAP_HIGH 0.2011 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.48) benazepril restless_legs_syndrome GAP_HIGH 0.2011 0.42857142857142855 l-arginine High-priority: Binding assay benazepril→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.43) papaverine muscle_cancer GAP_HIGH 0.2011 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) cytarabine sclerosing_cholangitis GAP_HIGH 0.2011 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in sclerosing_cholangitis cell model. Expected: similar to telbivudine (Jaccard=0.40) estriol kidney_cancer GAP_HIGH 0.2011 0.375 estrone High-priority: Binding assay estriol→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.38) sodium_lauryl_sulfate alzheimers_disease GAP_HIGH 0.2011 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in alzheimers_disease cell model. Expected: similar to tetrabenazine (Jaccard=0.33) sodium_lauryl_sulfate parkinsons_disease GAP_HIGH 0.2011 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in parkinsons_disease cell model. Expected: similar to tetrabenazine (Jaccard=0.33) estradiol_valeratedienogest esophageal_cancer GAP_HIGH 0.201 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) amodiaquine skin_cancer GAP_HIGH 0.201 0.4583333333333333 methdilazine High-priority: Binding assay amodiaquine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.46) papaverine lung_cancer GAP_HIGH 0.201 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) estriol nephrolithiasis GAP_HIGH 0.201 0.375 estrone High-priority: Binding assay estriol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.38) spirapril attention_deficit_hyperactivity_disorder GAP_HIGH 0.201 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) sodium_lauryl_sulfate amyotrophic_lateral_sclerosis GAP_HIGH 0.201 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tetrabenazine (Jaccard=0.33) emtricitabine kidney_cancer GAP_HIGH 0.201 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) acetic_acid systemic_scleroderma GAP_HIGH 0.201 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in systemic_scleroderma cell model. Expected: similar to hydroxyurea (Jaccard=0.25) pipotiazine hematologic_cancer GAP_HIGH 0.2009 0.9166666666666666 thioproperazine High-priority: Binding assay pipotiazine→?; validate in hematologic_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.92) sulfanilamide polycystic_ovary_syndrome GAP_HIGH 0.2009 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clofibrate (Jaccard=0.60) sulfanilamide type_2_diabetes_mellitus GAP_HIGH 0.2009 0.6 clofibrate High-priority: Binding assay sulfanilamide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clofibrate (Jaccard=0.60) nilotinib systemic_scleroderma GAP_HIGH 0.2009 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.57) ethynodiol type_2_diabetes_mellitus GAP_HIGH 0.2009 0.5555555555555556 allylestrenol High-priority: Binding assay ethynodiol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to allylestrenol (Jaccard=0.56) doxapram uterine_fibroid GAP_HIGH 0.2009 0.4444444444444444 benzatropine High-priority: Binding assay doxapram→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.44) metaraminol sarcoma GAP_HIGH 0.2009 0.42857142857142855 phenylephrine High-priority: Binding assay metaraminol→?; validate in sarcoma cell model. Expected: similar to phenylephrine (Jaccard=0.43) dronedarone testicular_cancer GAP_HIGH 0.2009 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in testicular_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) dronedarone vaginal_cancer GAP_HIGH 0.2009 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in vaginal_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) emtricitabine nephrolithiasis GAP_HIGH 0.2009 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.31) glisoxepide atherosclerosis GAP_HIGH 0.2009 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.30) acetic_acid uterine_fibroid GAP_HIGH 0.2009 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in uterine_fibroid cell model. Expected: similar to hydroxyurea (Jaccard=0.25) vitamin_c gout GAP_HIGH 0.2009 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in gout cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) diethylpropion idiopathic_pulmonary_fibrosis GAP_HIGH 0.2008 0.5833333333333334 ephedrine High-priority: Binding assay diethylpropion→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.58) trilostane idiopathic_pulmonary_fibrosis GAP_HIGH 0.2008 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) alprazolam psoriatic_arthritis GAP_HIGH 0.2008 0.55 chlordiazepoxide High-priority: Binding assay alprazolam→?; validate in psoriatic_arthritis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.55) azacitidine systemic_lupus_erythematosus GAP_HIGH 0.2008 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vidarabine (Jaccard=0.48) quinethazone rheumatoid_arthritis GAP_HIGH 0.2008 0.4444444444444444 hydrochlorothiazide High-priority: Binding assay quinethazone→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.44) papaverine amyotrophic_lateral_sclerosis GAP_HIGH 0.2008 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine autistic_disorder GAP_HIGH 0.2008 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in autistic_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine nicotine_dependence GAP_HIGH 0.2008 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in nicotine_dependence cell model. Expected: similar to clotrimazole (Jaccard=0.43) heptabarbital ankylosing_spondylitis GAP_HIGH 0.2008 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) estriol celiac_disease GAP_HIGH 0.2008 0.375 estrone High-priority: Binding assay estriol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.38) candesartan leprosy GAP_HIGH 0.2008 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in leprosy cell model. Expected: similar to lenalidomide (Jaccard=0.25) antipyrine azoospermia GAP_HIGH 0.2007 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in azoospermia cell model. Expected: similar to phenytoin (Jaccard=0.58) regadenoson breast_cancer GAP_HIGH 0.2007 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) regadenoson colon_cancer GAP_HIGH 0.2007 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) dronedarone vascular_cancer GAP_HIGH 0.2007 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in vascular_cancer cell model. Expected: similar to proparacaine (Jaccard=0.42) tolazamide chronic_obstructive_pulmonary_disease GAP_HIGH 0.2007 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.40) heptabarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.2007 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.38) spirapril asthma GAP_HIGH 0.2007 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.38) spirapril panic_disorder GAP_HIGH 0.2007 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) spirapril schizophrenia GAP_HIGH 0.2007 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.38) trimethoprim duodenum_cancer GAP_HIGH 0.2007 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in duodenum_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) trimethoprim gallbladder_cancer GAP_HIGH 0.2007 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in gallbladder_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) amiloride membranous_glomerulonephritis GAP_HIGH 0.2007 0.3333333333333333 adefovir_dipivoxil High-priority: Binding assay amiloride→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.33) equilin lung_cancer GAP_HIGH 0.2007 0.3 testosterone High-priority: Binding assay equilin→?; validate in lung_cancer cell model. Expected: similar to testosterone (Jaccard=0.30) clozapine ankylosing_spondylitis GAP_HIGH 0.2006 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenindione (Jaccard=0.77) isoetarine duodenum_cancer GAP_HIGH 0.2006 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine gallbladder_cancer GAP_HIGH 0.2006 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) azacitidine osteoarthritis GAP_HIGH 0.2006 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) flurandrenolide dilated_cardiomyopathy GAP_HIGH 0.2006 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.46) quinestrol melanoma GAP_HIGH 0.2006 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in melanoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) spirapril conduct_disorder GAP_HIGH 0.2006 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) dextropropoxyphene sclerosing_cholangitis GAP_HIGH 0.2006 0.3333333333333333 mepenzolate High-priority: Binding assay dextropropoxyphene→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.33) oxyphenonium creutzfeldt-jakob_disease GAP_HIGH 0.2006 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to mirtazapine (Jaccard=0.33) acetic_acid polycystic_ovary_syndrome GAP_HIGH 0.2006 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to hydroxyurea (Jaccard=0.25) acetic_acid vitiligo GAP_HIGH 0.2006 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in vitiligo cell model. Expected: similar to hydroxyurea (Jaccard=0.25) oxazepam pancreatitis GAP_HIGH 0.2005 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in pancreatitis cell model. Expected: similar to temazepam (Jaccard=0.67) trilostane gout GAP_HIGH 0.2005 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in gout cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) trilostane mediastinal_cancer GAP_HIGH 0.2005 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) metaraminol skin_cancer GAP_HIGH 0.2005 0.42857142857142855 phenylephrine High-priority: Binding assay metaraminol→?; validate in skin_cancer cell model. Expected: similar to phenylephrine (Jaccard=0.43) sulpiride celiac_disease GAP_HIGH 0.2005 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol chronic_obstructive_pulmonary_disease GAP_HIGH 0.2005 0.4 medroxyprogesterone_acetate High-priority: Binding assay estriol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.40) spirapril allergic_rhinitis GAP_HIGH 0.2005 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.38) spirapril bipolar_disorder GAP_HIGH 0.2005 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) equilin liver_cancer GAP_HIGH 0.2005 0.3 testosterone High-priority: Binding assay equilin→?; validate in liver_cancer cell model. Expected: similar to testosterone (Jaccard=0.30) telbivudine prostate_cancer GAP_HIGH 0.2005 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in prostate_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) ketazolam gout GAP_HIGH 0.2004 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.57) nilotinib vitiligo GAP_HIGH 0.2004 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in vitiligo cell model. Expected: similar to sunitinib (Jaccard=0.57) trilostane thymus_cancer GAP_HIGH 0.2004 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) prednicarbate sclerosing_cholangitis GAP_HIGH 0.2004 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.55) azacitidine sclerosing_cholangitis GAP_HIGH 0.2004 0.4666666666666667 abacavir High-priority: Binding assay azacitidine→?; validate in sclerosing_cholangitis cell model. Expected: similar to abacavir (Jaccard=0.47) regadenoson ovarian_cancer GAP_HIGH 0.2004 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.45) dronedarone uterine_fibroid GAP_HIGH 0.2004 0.4166666666666667 proparacaine High-priority: Binding assay dronedarone→?; validate in uterine_fibroid cell model. Expected: similar to proparacaine (Jaccard=0.42) spirapril endogenous_depression GAP_HIGH 0.2004 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.38) amiloride germ_cell_cancer GAP_HIGH 0.2004 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) sodium_lauryl_sulfate hypertension GAP_HIGH 0.2004 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in hypertension cell model. Expected: similar to tetrabenazine (Jaccard=0.33) acetic_acid rheumatoid_arthritis GAP_HIGH 0.2004 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydroxyurea (Jaccard=0.25) procarbazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.2003 0.5384615384615384 sotalol High-priority: Binding assay procarbazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.54) norelgestromin idiopathic_pulmonary_fibrosis GAP_HIGH 0.2003 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) spirapril migraine GAP_HIGH 0.2003 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.38) trimethoprim sclerosing_cholangitis GAP_HIGH 0.2003 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in sclerosing_cholangitis cell model. Expected: similar to methotrexate (Jaccard=0.38) dextropropoxyphene pharynx_cancer GAP_HIGH 0.2003 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) epoprostenol pharynx_cancer GAP_HIGH 0.2003 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in pharynx_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) methacholine crohns_disease GAP_HIGH 0.2003 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in crohns_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) clobazam coronary_artery_disease GAP_HIGH 0.2002 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.63) nilotinib rheumatoid_arthritis GAP_HIGH 0.2002 0.5714285714285714 sunitinib High-priority: Binding assay nilotinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to sunitinib (Jaccard=0.57) trilostane hematologic_cancer GAP_HIGH 0.2002 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in hematologic_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine creutzfeldt-jakob_disease GAP_HIGH 0.2002 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.55) azacitidine systemic_scleroderma GAP_HIGH 0.2002 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in systemic_scleroderma cell model. Expected: similar to vidarabine (Jaccard=0.48) papaverine breast_cancer GAP_HIGH 0.2002 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in breast_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine colon_cancer GAP_HIGH 0.2002 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in colon_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine conduct_disorder GAP_HIGH 0.2002 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in conduct_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.43) cytarabine pancreatitis GAP_HIGH 0.2002 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in pancreatitis cell model. Expected: similar to telbivudine (Jaccard=0.40) spirapril sarcoma GAP_HIGH 0.2002 0.375 trandolapril High-priority: Binding assay spirapril→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.38) sodium_lauryl_sulfate multiple_sclerosis GAP_HIGH 0.2002 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in multiple_sclerosis cell model. Expected: similar to tetrabenazine (Jaccard=0.33) amiloride bone_cancer GAP_HIGH 0.2002 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) vorinostat pagets_disease_of_bone GAP_HIGH 0.2002 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) methotrexate muscle_cancer GAP_HIGH 0.2001 0.7142857142857143 pralatrexate High-priority: Binding assay methotrexate→?; validate in muscle_cancer cell model. Expected: similar to pralatrexate (Jaccard=0.71) tripelennamine coronary_artery_disease GAP_HIGH 0.2001 0.625 mepyramine High-priority: Binding assay tripelennamine→?; validate in coronary_artery_disease cell model. Expected: similar to mepyramine (Jaccard=0.62) dasatinib polycystic_ovary_syndrome GAP_HIGH 0.2001 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to crizotinib (Jaccard=0.58) papaverine allergic_rhinitis GAP_HIGH 0.2001 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in allergic_rhinitis cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine bipolar_disorder GAP_HIGH 0.2001 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in bipolar_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine pancreatic_cancer GAP_HIGH 0.2001 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine stomach_cancer GAP_HIGH 0.2001 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) heptabarbital lung_cancer GAP_HIGH 0.2001 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital rectum_cancer GAP_HIGH 0.2001 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) butabarbital hematologic_cancer GAP_HIGH 0.2001 0.36666666666666664 flurbiprofen High-priority: Binding assay butabarbital→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.37) epoprostenol thyroid_cancer GAP_HIGH 0.2001 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in thyroid_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) acetic_acid psoriatic_arthritis GAP_HIGH 0.2001 0.25 hydroxyurea High-priority: Binding assay acetic_acid→?; validate in psoriatic_arthritis cell model. Expected: similar to hydroxyurea (Jaccard=0.25) methotrexate lung_cancer GAP_HIGH 0.2 0.7142857142857143 pralatrexate High-priority: Binding assay methotrexate→?; validate in lung_cancer cell model. Expected: similar to pralatrexate (Jaccard=0.71) dasatinib vitiligo GAP_HIGH 0.2 0.5833333333333334 crizotinib High-priority: Binding assay dasatinib→?; validate in vitiligo cell model. Expected: similar to crizotinib (Jaccard=0.58) norelgestromin mediastinal_cancer GAP_HIGH 0.2 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) papaverine psoriasis GAP_HIGH 0.2 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.43) heptabarbital alzheimers_disease GAP_HIGH 0.2 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital liver_cancer GAP_HIGH 0.2 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital parkinsons_disease GAP_HIGH 0.2 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.38) quinapril hepatitis_b GAP_HIGH 0.2 0.3333333333333333 trandolapril High-priority: Binding assay quinapril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.33) quazepam duodenum_cancer GAP_HIGH 0.2 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam gallbladder_cancer GAP_HIGH 0.2 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) isoetarine pharynx_cancer GAP_HIGH 0.1999 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in pharynx_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) sotalol intracranial_aneurysm GAP_HIGH 0.1999 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.54) norelgestromin thymus_cancer GAP_HIGH 0.1999 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) papaverine multiple_sclerosis GAP_HIGH 0.1999 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.43) papaverine ovarian_cancer GAP_HIGH 0.1999 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in ovarian_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.43) quinestrol pharynx_cancer GAP_HIGH 0.1999 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in pharynx_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) cytarabine lung_cancer GAP_HIGH 0.1999 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in lung_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) cytarabine rectum_cancer GAP_HIGH 0.1999 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in rectum_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) estriol lung_cancer GAP_HIGH 0.1999 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in lung_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol rectum_cancer GAP_HIGH 0.1999 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in rectum_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) heptabarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.1999 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital autistic_disorder GAP_HIGH 0.1999 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital nicotine_dependence GAP_HIGH 0.1999 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.38) equilin asthma GAP_HIGH 0.1999 0.3 testosterone High-priority: Binding assay equilin→?; validate in asthma cell model. Expected: similar to testosterone (Jaccard=0.30) equilin atopic_dermatitis GAP_HIGH 0.1999 0.3 testosterone High-priority: Binding assay equilin→?; validate in atopic_dermatitis cell model. Expected: similar to testosterone (Jaccard=0.30) methacholine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1999 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisone asthma GAP_HIGH 0.1998 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in asthma cell model. Expected: similar to testolactone (Jaccard=0.82) prednisone atopic_dermatitis GAP_HIGH 0.1998 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in atopic_dermatitis cell model. Expected: similar to testolactone (Jaccard=0.82) prednisone hypertension GAP_HIGH 0.1998 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in hypertension cell model. Expected: similar to testolactone (Jaccard=0.82) levonordefrin systemic_lupus_erythematosus GAP_HIGH 0.1998 0.6363636363636364 isoprenaline High-priority: Binding assay levonordefrin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoprenaline (Jaccard=0.64) tranylcypromine atherosclerosis GAP_HIGH 0.1998 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.56) levonorgestrel alopecia_areata GAP_HIGH 0.1998 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in alopecia_areata cell model. Expected: similar to norethindrone (Jaccard=0.55) papaverine sarcoma GAP_HIGH 0.1998 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.43) estriol liver_cancer GAP_HIGH 0.1998 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in liver_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) amiloride penile_cancer GAP_HIGH 0.1998 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) sodium_lauryl_sulfate metabolic_syndrome_x GAP_HIGH 0.1998 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in metabolic_syndrome_x cell model. Expected: similar to tetrabenazine (Jaccard=0.33) glimepiride atherosclerosis GAP_HIGH 0.1998 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.27) procarbazine hematologic_cancer GAP_HIGH 0.1997 0.5384615384615384 sotalol High-priority: Binding assay procarbazine→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) quinestrol thyroid_cancer GAP_HIGH 0.1997 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in thyroid_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) cytarabine liver_cancer GAP_HIGH 0.1997 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in liver_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) amobarbital panic_disorder GAP_HIGH 0.1997 0.38095238095238093 amodiaquine High-priority: Binding assay amobarbital→?; validate in panic_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) amobarbital schizophrenia GAP_HIGH 0.1997 0.38095238095238093 amodiaquine High-priority: Binding assay amobarbital→?; validate in schizophrenia cell model. Expected: similar to amodiaquine (Jaccard=0.38) heptabarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.1997 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.38) dextropropoxyphene pancreatitis GAP_HIGH 0.1997 0.3333333333333333 mepenzolate High-priority: Binding assay dextropropoxyphene→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.33) dextropropoxyphene salivary_gland_cancer GAP_HIGH 0.1997 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) acetylcysteine hematologic_cancer GAP_HIGH 0.1997 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in hematologic_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine narcolepsy GAP_HIGH 0.1997 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in narcolepsy cell model. Expected: similar to l-histidine (Jaccard=0.32) equilin pancreatic_cancer GAP_HIGH 0.1997 0.3 testosterone High-priority: Binding assay equilin→?; validate in pancreatic_cancer cell model. Expected: similar to testosterone (Jaccard=0.30) equilin ulcerative_colitis GAP_HIGH 0.1997 0.3 testosterone High-priority: Binding assay equilin→?; validate in ulcerative_colitis cell model. Expected: similar to testosterone (Jaccard=0.30) prednisone ulcerative_colitis GAP_HIGH 0.1996 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in ulcerative_colitis cell model. Expected: similar to testolactone (Jaccard=0.82) methotrexate urinary_bladder_cancer GAP_HIGH 0.1996 0.7142857142857143 pralatrexate High-priority: Binding assay methotrexate→?; validate in urinary_bladder_cancer cell model. Expected: similar to pralatrexate (Jaccard=0.71) isoetarine thyroid_cancer GAP_HIGH 0.1996 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) phenindione crohns_disease GAP_HIGH 0.1996 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.53) quinacrine gilles_de_la_tourette_syndrome GAP_HIGH 0.1996 0.46153846153846156 loxapine High-priority: Binding assay quinacrine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.46) papaverine systemic_lupus_erythematosus GAP_HIGH 0.1996 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.43) quinestrol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1996 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) propofol ankylosing_spondylitis GAP_HIGH 0.1996 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) amobarbital breast_cancer GAP_HIGH 0.1996 0.38095238095238093 amodiaquine High-priority: Binding assay amobarbital→?; validate in breast_cancer cell model. Expected: similar to amodiaquine (Jaccard=0.38) amiloride malignant_mesothelioma GAP_HIGH 0.1996 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.33) methacholine gout GAP_HIGH 0.1996 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in gout cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine primary_biliary_cirrhosis GAP_HIGH 0.1996 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisone migraine GAP_HIGH 0.1995 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in migraine cell model. Expected: similar to testolactone (Jaccard=0.82) prednisone multiple_sclerosis GAP_HIGH 0.1995 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in multiple_sclerosis cell model. Expected: similar to testolactone (Jaccard=0.82) prednisone psoriasis GAP_HIGH 0.1995 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in psoriasis cell model. Expected: similar to testolactone (Jaccard=0.82) trilostane melanoma GAP_HIGH 0.1995 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in melanoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine epilepsy_syndrome GAP_HIGH 0.1995 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.55) dopamine hematologic_cancer GAP_HIGH 0.1995 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in hematologic_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.50) azacitidine rheumatoid_arthritis GAP_HIGH 0.1995 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in rheumatoid_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) propofol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1995 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.40) amobarbital bipolar_disorder GAP_HIGH 0.1995 0.38095238095238093 amodiaquine High-priority: Binding assay amobarbital→?; validate in bipolar_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) amobarbital pancreatic_cancer GAP_HIGH 0.1995 0.38095238095238093 quinacrine High-priority: Binding assay amobarbital→?; validate in pancreatic_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) trimethoprim pancreatitis GAP_HIGH 0.1995 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in pancreatitis cell model. Expected: similar to methotrexate (Jaccard=0.38) dextropropoxyphene muscle_cancer GAP_HIGH 0.1995 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) primidone leprosy GAP_HIGH 0.1995 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.22) nitisinone alopecia_areata GAP_HIGH 0.1995 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in alopecia_areata cell model. Expected: similar to loteprednol (Jaccard=0.20) oxazepam hypertension GAP_HIGH 0.1994 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in hypertension cell model. Expected: similar to temazepam (Jaccard=0.67) antipyrine malignant_mesothelioma GAP_HIGH 0.1994 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.58) dasatinib nephrolithiasis GAP_HIGH 0.1994 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in nephrolithiasis cell model. Expected: similar to sunitinib (Jaccard=0.53) aprobarbital panic_disorder GAP_HIGH 0.1994 0.38095238095238093 amodiaquine High-priority: Binding assay aprobarbital→?; validate in panic_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) aprobarbital schizophrenia GAP_HIGH 0.1994 0.38095238095238093 amodiaquine High-priority: Binding assay aprobarbital→?; validate in schizophrenia cell model. Expected: similar to amodiaquine (Jaccard=0.38) butethal panic_disorder GAP_HIGH 0.1994 0.38095238095238093 amodiaquine High-priority: Binding assay butethal→?; validate in panic_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) butethal schizophrenia GAP_HIGH 0.1994 0.38095238095238093 amodiaquine High-priority: Binding assay butethal→?; validate in schizophrenia cell model. Expected: similar to amodiaquine (Jaccard=0.38) heptabarbital asthma GAP_HIGH 0.1994 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital conduct_disorder GAP_HIGH 0.1994 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.38) spirapril systemic_scleroderma GAP_HIGH 0.1994 0.375 trandolapril High-priority: Binding assay spirapril→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.38) dextropropoxyphene ocular_cancer GAP_HIGH 0.1994 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) sodium_lauryl_sulfate obesity GAP_HIGH 0.1994 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in obesity cell model. Expected: similar to tetrabenazine (Jaccard=0.33) polythiazide acquired_immunodeficiency_syndrome GAP_HIGH 0.1994 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.26) methacholine narcolepsy GAP_HIGH 0.1994 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in narcolepsy cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) levonordefrin type_1_diabetes_mellitus GAP_HIGH 0.1993 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to carbidopa (Jaccard=0.59) azacitidine psoriatic_arthritis GAP_HIGH 0.1993 0.4782608695652174 vidarabine High-priority: Binding assay azacitidine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) quinestrol salivary_gland_cancer GAP_HIGH 0.1993 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in salivary_gland_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) tolazamide atopic_dermatitis GAP_HIGH 0.1993 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.40) amobarbital multiple_sclerosis GAP_HIGH 0.1993 0.38095238095238093 amodiaquine High-priority: Binding assay amobarbital→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.38) aprobarbital breast_cancer GAP_HIGH 0.1993 0.38095238095238093 amodiaquine High-priority: Binding assay aprobarbital→?; validate in breast_cancer cell model. Expected: similar to amodiaquine (Jaccard=0.38) butethal breast_cancer GAP_HIGH 0.1993 0.38095238095238093 amodiaquine High-priority: Binding assay butethal→?; validate in breast_cancer cell model. Expected: similar to amodiaquine (Jaccard=0.38) heptabarbital atopic_dermatitis GAP_HIGH 0.1993 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital colon_cancer GAP_HIGH 0.1993 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital hypertension GAP_HIGH 0.1993 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital stomach_cancer GAP_HIGH 0.1993 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) prednisone systemic_lupus_erythematosus GAP_HIGH 0.1992 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to testolactone (Jaccard=0.82) isoprenaline atherosclerosis GAP_HIGH 0.1992 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in atherosclerosis cell model. Expected: similar to mesalazine (Jaccard=0.67) azacitidine lung_cancer GAP_HIGH 0.1992 0.4666666666666667 abacavir High-priority: Binding assay azacitidine→?; validate in lung_cancer cell model. Expected: similar to abacavir (Jaccard=0.47) azacitidine rectum_cancer GAP_HIGH 0.1992 0.4666666666666667 abacavir High-priority: Binding assay azacitidine→?; validate in rectum_cancer cell model. Expected: similar to abacavir (Jaccard=0.47) quinestrol muscle_cancer GAP_HIGH 0.1992 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in muscle_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) estriol asthma GAP_HIGH 0.1992 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in asthma cell model. Expected: similar to etonogestrel (Jaccard=0.40) aprobarbital bipolar_disorder GAP_HIGH 0.1992 0.38095238095238093 amodiaquine High-priority: Binding assay aprobarbital→?; validate in bipolar_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) aprobarbital pancreatic_cancer GAP_HIGH 0.1992 0.38095238095238093 quinacrine High-priority: Binding assay aprobarbital→?; validate in pancreatic_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) butethal bipolar_disorder GAP_HIGH 0.1992 0.38095238095238093 amodiaquine High-priority: Binding assay butethal→?; validate in bipolar_disorder cell model. Expected: similar to amodiaquine (Jaccard=0.38) butethal pancreatic_cancer GAP_HIGH 0.1992 0.38095238095238093 quinacrine High-priority: Binding assay butethal→?; validate in pancreatic_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) heptabarbital allergic_rhinitis GAP_HIGH 0.1992 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) cilazapril type_1_diabetes_mellitus GAP_HIGH 0.1992 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.38) telbivudine duodenum_cancer GAP_HIGH 0.1992 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in duodenum_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) telbivudine gallbladder_cancer GAP_HIGH 0.1992 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in gallbladder_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) chlorphenesin barretts_esophagus GAP_HIGH 0.1992 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in barretts_esophagus cell model. Expected: similar to pantoprazole (Jaccard=0.17) prednisone metabolic_syndrome_x GAP_HIGH 0.1991 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in metabolic_syndrome_x cell model. Expected: similar to testolactone (Jaccard=0.82) clozapine schizophrenia GAP_HIGH 0.1991 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in schizophrenia cell model. Expected: similar to phenindione (Jaccard=0.77) oxazepam psoriasis GAP_HIGH 0.1991 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in psoriasis cell model. Expected: similar to temazepam (Jaccard=0.67) isoetarine muscle_cancer GAP_HIGH 0.1991 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) regadenoson polycystic_ovary_syndrome GAP_HIGH 0.1991 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.45) estriol atopic_dermatitis GAP_HIGH 0.1991 0.4 medroxyprogesterone_acetate High-priority: Binding assay estriol→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.40) estriol breast_cancer GAP_HIGH 0.1991 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in breast_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol colon_cancer GAP_HIGH 0.1991 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in colon_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol stomach_cancer GAP_HIGH 0.1991 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in stomach_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) tolazamide psoriasis GAP_HIGH 0.1991 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.40) methylphenobarbital type_1_diabetes_mellitus GAP_HIGH 0.1991 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.38) heptabarbital endogenous_depression GAP_HIGH 0.1991 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital psoriasis GAP_HIGH 0.1991 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital ulcerative_colitis GAP_HIGH 0.1991 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) estriol germ_cell_cancer GAP_HIGH 0.1991 0.375 estrone High-priority: Binding assay estriol→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.38) amobarbital coronary_artery_disease GAP_HIGH 0.1991 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) dextropropoxyphene urinary_bladder_cancer GAP_HIGH 0.1991 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) gliquidone celiac_disease GAP_HIGH 0.1991 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) vitamin_c ankylosing_spondylitis GAP_HIGH 0.1991 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in ankylosing_spondylitis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) prednisone osteoarthritis GAP_HIGH 0.199 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in osteoarthritis cell model. Expected: similar to testolactone (Jaccard=0.82) amcinonide dilated_cardiomyopathy GAP_HIGH 0.199 0.625 rimexolone High-priority: Binding assay amcinonide→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.62) gemcitabine membranous_glomerulonephritis GAP_HIGH 0.199 0.5714285714285714 trifluridine High-priority: Binding assay gemcitabine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluridine (Jaccard=0.57) isoetarine lung_cancer GAP_HIGH 0.199 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine rectum_cancer GAP_HIGH 0.199 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) sotalol head_and_neck_cancer GAP_HIGH 0.199 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) sotalol malignant_glioma GAP_HIGH 0.199 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.54) regadenoson vitiligo GAP_HIGH 0.199 0.45 lamivudine High-priority: Binding assay regadenoson→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.45) papaverine systemic_scleroderma GAP_HIGH 0.199 0.42857142857142855 clotrimazole High-priority: Binding assay papaverine→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.43) quinestrol ocular_cancer GAP_HIGH 0.199 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in ocular_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) estriol pancreatic_cancer GAP_HIGH 0.199 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in pancreatic_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) mephentermine hematologic_cancer GAP_HIGH 0.199 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in hematologic_cancer cell model. Expected: similar to phenformin (Jaccard=0.40) aprobarbital multiple_sclerosis GAP_HIGH 0.199 0.38095238095238093 amodiaquine High-priority: Binding assay aprobarbital→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.38) butethal multiple_sclerosis GAP_HIGH 0.199 0.38095238095238093 amodiaquine High-priority: Binding assay butethal→?; validate in multiple_sclerosis cell model. Expected: similar to amodiaquine (Jaccard=0.38) heptabarbital osteoporosis GAP_HIGH 0.199 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital ovarian_cancer GAP_HIGH 0.199 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital uterine_cancer GAP_HIGH 0.199 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) trimethoprim liver_cancer GAP_HIGH 0.199 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in liver_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) amiloride meningioma GAP_HIGH 0.199 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.33) dextropropoxyphene peripheral_nervous_system_neoplasm GAP_HIGH 0.199 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.33) oxyphenonium attention_deficit_hyperactivity_disorder GAP_HIGH 0.199 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mirtazapine (Jaccard=0.33) quazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.199 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.32) clozapine bipolar_disorder GAP_HIGH 0.1989 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in bipolar_disorder cell model. Expected: similar to phenindione (Jaccard=0.77) isoetarine liver_cancer GAP_HIGH 0.1989 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) norelgestromin melanoma GAP_HIGH 0.1989 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in melanoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) cytarabine pancreatic_cancer GAP_HIGH 0.1989 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in pancreatic_cancer cell model. Expected: similar to telbivudine (Jaccard=0.40) cytarabine ulcerative_colitis GAP_HIGH 0.1989 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in ulcerative_colitis cell model. Expected: similar to telbivudine (Jaccard=0.40) estriol ulcerative_colitis GAP_HIGH 0.1989 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in ulcerative_colitis cell model. Expected: similar to etonogestrel (Jaccard=0.40) spirapril vitiligo GAP_HIGH 0.1989 0.375 lisinopril High-priority: Binding assay spirapril→?; validate in vitiligo cell model. Expected: similar to lisinopril (Jaccard=0.38) sodium_lauryl_sulfate restless_legs_syndrome GAP_HIGH 0.1989 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in restless_legs_syndrome cell model. Expected: similar to tetrabenazine (Jaccard=0.33) oxazepam systemic_lupus_erythematosus GAP_HIGH 0.1988 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to temazepam (Jaccard=0.67) benzatropine alzheimers_disease GAP_HIGH 0.1988 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in alzheimers_disease cell model. Expected: similar to bepridil (Jaccard=0.62) benzatropine parkinsons_disease GAP_HIGH 0.1988 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in parkinsons_disease cell model. Expected: similar to bepridil (Jaccard=0.62) trilostane pharynx_cancer GAP_HIGH 0.1988 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in pharynx_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine amyotrophic_lateral_sclerosis GAP_HIGH 0.1988 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine autistic_disorder GAP_HIGH 0.1988 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine nicotine_dependence GAP_HIGH 0.1988 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.55) estriol osteoporosis GAP_HIGH 0.1988 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in osteoporosis cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol ovarian_cancer GAP_HIGH 0.1988 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in ovarian_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estriol uterine_cancer GAP_HIGH 0.1988 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in uterine_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) heptabarbital systemic_lupus_erythematosus GAP_HIGH 0.1988 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.38) sodium_lauryl_sulfate type_2_diabetes_mellitus GAP_HIGH 0.1988 0.3333333333333333 tetrabenazine High-priority: Binding assay sodium_lauryl_sulfate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to tetrabenazine (Jaccard=0.33) prednisone obesity GAP_HIGH 0.1987 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in obesity cell model. Expected: similar to testolactone (Jaccard=0.82) oxazepam metabolic_syndrome_x GAP_HIGH 0.1987 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to temazepam (Jaccard=0.67) benzatropine autistic_disorder GAP_HIGH 0.1987 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in autistic_disorder cell model. Expected: similar to bepridil (Jaccard=0.62) cinolazepam creutzfeldt-jakob_disease GAP_HIGH 0.1987 0.5555555555555556 estazolam High-priority: Binding assay cinolazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.56) isoetarine urinary_bladder_cancer GAP_HIGH 0.1987 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) phenindione coronary_artery_disease GAP_HIGH 0.1987 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in coronary_artery_disease cell model. Expected: similar to oxaprozin (Jaccard=0.53) phenindione narcolepsy GAP_HIGH 0.1987 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in narcolepsy cell model. Expected: similar to oxaprozin (Jaccard=0.53) amodiaquine muscle_cancer GAP_HIGH 0.1987 0.44 azelastine High-priority: Binding assay amodiaquine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) disopyramide esophageal_cancer GAP_HIGH 0.1987 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) quinestrol peripheral_nervous_system_neoplasm GAP_HIGH 0.1987 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) oxyphenonium breast_cancer GAP_HIGH 0.1987 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in breast_cancer cell model. Expected: similar to mirtazapine (Jaccard=0.33) prednisone systemic_scleroderma GAP_HIGH 0.1986 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in systemic_scleroderma cell model. Expected: similar to testolactone (Jaccard=0.82) antipyrine crohns_disease GAP_HIGH 0.1986 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane ankylosing_spondylitis GAP_HIGH 0.1986 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in ankylosing_spondylitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1986 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.55) tolazamide skin_cancer GAP_HIGH 0.1986 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.40) heptabarbital metabolic_syndrome_x GAP_HIGH 0.1986 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.38) aprobarbital coronary_artery_disease GAP_HIGH 0.1986 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal coronary_artery_disease GAP_HIGH 0.1986 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) oxyphenonium hypertension GAP_HIGH 0.1986 0.3333333333333333 mirtazapine High-priority: Binding assay oxyphenonium→?; validate in hypertension cell model. Expected: similar to mirtazapine (Jaccard=0.33) pamidronate pagets_disease_of_bone GAP_HIGH 0.1986 0.2857142857142857 clodronate High-priority: Binding assay pamidronate→?; validate in pagets_disease_of_bone cell model. Expected: similar to clodronate (Jaccard=0.29) methacholine melanoma GAP_HIGH 0.1986 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in melanoma cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) clozapine systemic_lupus_erythematosus GAP_HIGH 0.1985 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenindione (Jaccard=0.77) levonordefrin rheumatoid_arthritis GAP_HIGH 0.1985 0.6363636363636364 isoprenaline High-priority: Binding assay levonordefrin→?; validate in rheumatoid_arthritis cell model. Expected: similar to isoprenaline (Jaccard=0.64) suprofen larynx_cancer GAP_HIGH 0.1985 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) clobazam ankylosing_spondylitis GAP_HIGH 0.1985 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) ketazolam ankylosing_spondylitis GAP_HIGH 0.1985 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane thyroid_cancer GAP_HIGH 0.1985 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in thyroid_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) cytarabine systemic_lupus_erythematosus GAP_HIGH 0.1985 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to telbivudine (Jaccard=0.40) heptabarbital osteoarthritis GAP_HIGH 0.1985 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) estriol penile_cancer GAP_HIGH 0.1985 0.375 estrone High-priority: Binding assay estriol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.38) acetylcysteine creutzfeldt-jakob_disease GAP_HIGH 0.1985 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam lung_cancer GAP_HIGH 0.1985 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam rectum_cancer GAP_HIGH 0.1985 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methacholine duodenum_cancer GAP_HIGH 0.1985 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in duodenum_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine gallbladder_cancer GAP_HIGH 0.1985 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in gallbladder_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) acetophenazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1984 0.6666666666666666 cetirizine High-priority: Binding assay acetophenazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.67) ketazolam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1984 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane chronic_obstructive_pulmonary_disease GAP_HIGH 0.1984 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) prednicarbate hypertension GAP_HIGH 0.1984 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.55) heptabarbital testicular_cancer GAP_HIGH 0.1984 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital vaginal_cancer GAP_HIGH 0.1984 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital vulva_cancer GAP_HIGH 0.1984 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.38) epoprostenol uterine_cancer GAP_HIGH 0.1984 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in uterine_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) emtricitabine penile_cancer GAP_HIGH 0.1984 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) oxazepam obesity GAP_HIGH 0.1983 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in obesity cell model. Expected: similar to temazepam (Jaccard=0.67) levonordefrin psoriatic_arthritis GAP_HIGH 0.1983 0.6363636363636364 isoprenaline High-priority: Binding assay levonordefrin→?; validate in psoriatic_arthritis cell model. Expected: similar to isoprenaline (Jaccard=0.64) clobazam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1983 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.63) isoetarine conduct_disorder GAP_HIGH 0.1983 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine panic_disorder GAP_HIGH 0.1983 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine schizophrenia GAP_HIGH 0.1983 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.55) azacitidine pancreatic_cancer GAP_HIGH 0.1983 0.4666666666666667 abacavir High-priority: Binding assay azacitidine→?; validate in pancreatic_cancer cell model. Expected: similar to abacavir (Jaccard=0.47) heptabarbital obesity GAP_HIGH 0.1983 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.38) amiloride prostate_cancer GAP_HIGH 0.1983 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) quazepam liver_cancer GAP_HIGH 0.1983 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methotrexate testicular_cancer GAP_HIGH 0.1982 0.7142857142857143 pralatrexate High-priority: Binding assay methotrexate→?; validate in testicular_cancer cell model. Expected: similar to pralatrexate (Jaccard=0.71) oxazepam systemic_scleroderma GAP_HIGH 0.1982 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in systemic_scleroderma cell model. Expected: similar to temazepam (Jaccard=0.67) benzatropine schizophrenia GAP_HIGH 0.1982 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in schizophrenia cell model. Expected: similar to bepridil (Jaccard=0.62) mestranol kidney_cancer GAP_HIGH 0.1982 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in kidney_cancer cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) isoetarine breast_cancer GAP_HIGH 0.1982 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in breast_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine colon_cancer GAP_HIGH 0.1982 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine stomach_cancer GAP_HIGH 0.1982 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) norelgestromin pharynx_cancer GAP_HIGH 0.1982 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in pharynx_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) carprofen azoospermia GAP_HIGH 0.1982 0.4375 naproxen High-priority: Binding assay carprofen→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.44) estriol vulva_cancer GAP_HIGH 0.1982 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in vulva_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) propofol asthma GAP_HIGH 0.1982 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.40) trimethoprim pancreatic_cancer GAP_HIGH 0.1982 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in pancreatic_cancer cell model. Expected: similar to methotrexate (Jaccard=0.38) amobarbital duodenum_cancer GAP_HIGH 0.1982 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital gallbladder_cancer GAP_HIGH 0.1982 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride mediastinal_cancer GAP_HIGH 0.1982 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) dextropropoxyphene sarcoma GAP_HIGH 0.1982 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in sarcoma cell model. Expected: similar to aspartame (Jaccard=0.33) trimethoprim esophageal_cancer GAP_HIGH 0.1982 0.3333333333333333 fluorouracil High-priority: Binding assay trimethoprim→?; validate in esophageal_cancer cell model. Expected: similar to fluorouracil (Jaccard=0.33) acetylcysteine pharynx_cancer GAP_HIGH 0.1982 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in pharynx_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) dextropropoxyphene hepatitis_b GAP_HIGH 0.1982 0.2857142857142857 alvimopan High-priority: Binding assay dextropropoxyphene→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.29) methacholine creutzfeldt-jakob_disease GAP_HIGH 0.1982 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine sclerosing_cholangitis GAP_HIGH 0.1982 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in sclerosing_cholangitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) antipyrine prostate_cancer GAP_HIGH 0.1981 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane salivary_gland_cancer GAP_HIGH 0.1981 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in salivary_gland_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine bipolar_disorder GAP_HIGH 0.1981 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine pancreatic_cancer GAP_HIGH 0.1981 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.55) prednicarbate migraine GAP_HIGH 0.1981 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.55) propofol atopic_dermatitis GAP_HIGH 0.1981 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) heptabarbital systemic_scleroderma GAP_HIGH 0.1981 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.38) trimethoprim osteoporosis GAP_HIGH 0.1981 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in osteoporosis cell model. Expected: similar to methotrexate (Jaccard=0.38) amiloride primary_biliary_cirrhosis GAP_HIGH 0.1981 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.33) aminoglutethimide barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking aminoglutethimide vs barretts_esophagus targets. Cross-check aminoglutethimide pharmacophore against barretts_esophagus pathway. ibuprofen barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking ibuprofen vs barretts_esophagus targets. Cross-check ibuprofen pharmacophore against barretts_esophagus pathway. irbesartan barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking irbesartan vs barretts_esophagus targets. Cross-check irbesartan pharmacophore against barretts_esophagus pathway. losartan barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking losartan vs barretts_esophagus targets. Cross-check losartan pharmacophore against barretts_esophagus pathway. methacholine barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking methacholine vs barretts_esophagus targets. Cross-check methacholine pharmacophore against barretts_esophagus pathway. valsartan barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking valsartan vs barretts_esophagus targets. Cross-check valsartan pharmacophore against barretts_esophagus pathway. zolmitriptan barretts_esophagus GAP_LOW 0.1981 0.0 pantoprazole Low-priority: Computational docking zolmitriptan vs barretts_esophagus targets. Cross-check zolmitriptan pharmacophore against barretts_esophagus pathway. chlorprothixene narcolepsy GAP_HIGH 0.198 0.8181818181818182 clomipramine High-priority: Binding assay chlorprothixene→?; validate in narcolepsy cell model. Expected: similar to clomipramine (Jaccard=0.82) trilostane muscle_cancer GAP_HIGH 0.198 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in muscle_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine endogenous_depression GAP_HIGH 0.198 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine ulcerative_colitis GAP_HIGH 0.198 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.55) methylprednisolone dilated_cardiomyopathy GAP_HIGH 0.198 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.50) norelgestromin thyroid_cancer GAP_HIGH 0.198 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in thyroid_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) quinestrol psoriasis GAP_HIGH 0.198 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in psoriasis cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) heptabarbital uterine_fibroid GAP_HIGH 0.198 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital azoospermia GAP_HIGH 0.198 0.34782608695652173 chlorpromazine High-priority: Binding assay heptabarbital→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.35) amiloride thymus_cancer GAP_HIGH 0.198 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) prednisone rheumatoid_arthritis GAP_HIGH 0.1979 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in rheumatoid_arthritis cell model. Expected: similar to testolactone (Jaccard=0.82) acetophenazine hematologic_cancer GAP_HIGH 0.1979 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in hematologic_cancer cell model. Expected: similar to nefazodone (Jaccard=0.67) antipyrine mediastinal_cancer GAP_HIGH 0.1979 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane ocular_cancer GAP_HIGH 0.1979 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in ocular_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) isoetarine migraine GAP_HIGH 0.1979 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine multiple_sclerosis GAP_HIGH 0.1979 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine osteoporosis GAP_HIGH 0.1979 0.5454545454545454 l-dopa High-priority: Binding assay isoetarine→?; validate in osteoporosis cell model. Expected: similar to l-dopa (Jaccard=0.55) isoetarine ovarian_cancer GAP_HIGH 0.1979 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in ovarian_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine uterine_cancer GAP_HIGH 0.1979 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in uterine_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) procarbazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1979 0.5384615384615384 sotalol High-priority: Binding assay procarbazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.54) quinestrol sarcoma GAP_HIGH 0.1979 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in sarcoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) cytarabine systemic_scleroderma GAP_HIGH 0.1979 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in systemic_scleroderma cell model. Expected: similar to telbivudine (Jaccard=0.40) propofol psoriasis GAP_HIGH 0.1979 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) acetylcysteine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1979 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to l-histidine (Jaccard=0.32) clozapine systemic_scleroderma GAP_HIGH 0.1978 0.7692307692307693 phenindione High-priority: Binding assay clozapine→?; validate in systemic_scleroderma cell model. Expected: similar to phenindione (Jaccard=0.77) antipyrine thymus_cancer GAP_HIGH 0.1978 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) propofol osteoporosis GAP_HIGH 0.1978 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) amobarbital creutzfeldt-jakob_disease GAP_HIGH 0.1978 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) epoprostenol testicular_cancer GAP_HIGH 0.1978 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in testicular_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) epoprostenol vaginal_cancer GAP_HIGH 0.1978 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in vaginal_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) epoprostenol vulva_cancer GAP_HIGH 0.1978 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in vulva_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) acetylcysteine epilepsy_syndrome GAP_HIGH 0.1978 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-histidine (Jaccard=0.32) oxazepam type_2_diabetes_mellitus GAP_HIGH 0.1977 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to temazepam (Jaccard=0.67) oxazepam vitiligo GAP_HIGH 0.1977 0.6666666666666666 temazepam High-priority: Binding assay oxazepam→?; validate in vitiligo cell model. Expected: similar to temazepam (Jaccard=0.67) pomalidomide refractive_error GAP_HIGH 0.1977 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.60) antipyrine coronary_artery_disease GAP_HIGH 0.1977 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) antipyrine narcolepsy GAP_HIGH 0.1977 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in narcolepsy cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam focal_segmental_glomerulosclerosis GAP_HIGH 0.1977 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorpromazine (Jaccard=0.52) ritodrine refractive_error GAP_HIGH 0.1977 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in refractive_error cell model. Expected: similar to arbutamine (Jaccard=0.40) heptabarbital polycystic_ovary_syndrome GAP_HIGH 0.1977 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.38) heptabarbital type_2_diabetes_mellitus GAP_HIGH 0.1977 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.38) estriol meningioma GAP_HIGH 0.1977 0.375 estrone High-priority: Binding assay estriol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.38) aprobarbital duodenum_cancer GAP_HIGH 0.1977 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital gallbladder_cancer GAP_HIGH 0.1977 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal duodenum_cancer GAP_HIGH 0.1977 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal gallbladder_cancer GAP_HIGH 0.1977 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) epoprostenol vascular_cancer GAP_HIGH 0.1977 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in vascular_cancer cell model. Expected: similar to travoprost (Jaccard=0.33) methacholine ankylosing_spondylitis GAP_HIGH 0.1977 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in ankylosing_spondylitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisone psoriatic_arthritis GAP_HIGH 0.1976 0.8235294117647058 testolactone High-priority: Binding assay prednisone→?; validate in psoriatic_arthritis cell model. Expected: similar to testolactone (Jaccard=0.82) prochlorperazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1976 0.6666666666666666 nefazodone High-priority: Binding assay prochlorperazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.67) ketazolam nicotine_dependence GAP_HIGH 0.1976 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in nicotine_dependence cell model. Expected: similar to phenindione (Jaccard=0.57) levonorgestrel intracranial_aneurysm GAP_HIGH 0.1976 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in intracranial_aneurysm cell model. Expected: similar to norethindrone (Jaccard=0.55) norelgestromin salivary_gland_cancer GAP_HIGH 0.1976 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in salivary_gland_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) propofol systemic_lupus_erythematosus GAP_HIGH 0.1976 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.40) tolazamide vitiligo GAP_HIGH 0.1976 0.4 zafirlukast High-priority: Binding assay tolazamide→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.40) heptabarbital vitiligo GAP_HIGH 0.1976 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.38) trimethoprim osteoarthritis GAP_HIGH 0.1976 0.375 methotrexate High-priority: Binding assay trimethoprim→?; validate in osteoarthritis cell model. Expected: similar to methotrexate (Jaccard=0.38) dextropropoxyphene vascular_cancer GAP_HIGH 0.1976 0.3333333333333333 aspartame High-priority: Binding assay dextropropoxyphene→?; validate in vascular_cancer cell model. Expected: similar to aspartame (Jaccard=0.33) acetylcysteine salivary_gland_cancer GAP_HIGH 0.1976 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam stomach_cancer GAP_HIGH 0.1976 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) emtricitabine meningioma GAP_HIGH 0.1976 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.31) benzatropine metabolic_syndrome_x GAP_HIGH 0.1975 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in metabolic_syndrome_x cell model. Expected: similar to bepridil (Jaccard=0.62) trilostane peripheral_nervous_system_neoplasm GAP_HIGH 0.1975 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) quinestrol skin_cancer GAP_HIGH 0.1975 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in skin_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) estriol polycystic_ovary_syndrome GAP_HIGH 0.1975 0.4 etonogestrel High-priority: Binding assay estriol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to etonogestrel (Jaccard=0.40) acetylcysteine muscle_cancer GAP_HIGH 0.1975 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in muscle_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam pancreatic_cancer GAP_HIGH 0.1975 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in pancreatic_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam ulcerative_colitis GAP_HIGH 0.1975 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methacholine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1975 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) levonordefrin celiac_disease GAP_HIGH 0.1974 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in celiac_disease cell model. Expected: similar to carbidopa (Jaccard=0.59) dextroamphetamine atherosclerosis GAP_HIGH 0.1974 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.55) isoetarine osteoarthritis GAP_HIGH 0.1974 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine vaginal_cancer GAP_HIGH 0.1974 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in vaginal_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) isoetarine vulva_cancer GAP_HIGH 0.1974 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in vulva_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) propofol metabolic_syndrome_x GAP_HIGH 0.1974 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.40) heptabarbital rheumatoid_arthritis GAP_HIGH 0.1974 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) estriol crohns_disease GAP_HIGH 0.1974 0.375 estrone High-priority: Binding assay estriol→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine hematologic_cancer GAP_HIGH 0.1974 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital ankylosing_spondylitis GAP_HIGH 0.1974 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital creutzfeldt-jakob_disease GAP_HIGH 0.1974 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal creutzfeldt-jakob_disease GAP_HIGH 0.1974 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) epoprostenol uterine_fibroid GAP_HIGH 0.1974 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in uterine_fibroid cell model. Expected: similar to travoprost (Jaccard=0.33) quazepam psoriasis GAP_HIGH 0.1974 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam uterine_cancer GAP_HIGH 0.1974 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) etonogestrel hypothyroidism GAP_HIGH 0.1974 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.25) estazolam gilles_de_la_tourette_syndrome GAP_HIGH 0.1973 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.56) methadyl_acetate type_1_diabetes_mellitus GAP_HIGH 0.1973 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.56) isoetarine testicular_cancer GAP_HIGH 0.1973 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in testicular_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) methylphenobarbital celiac_disease GAP_HIGH 0.1973 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.38) propofol azoospermia GAP_HIGH 0.1973 0.36363636363636365 chlorpromazine High-priority: Binding assay propofol→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.36) acetylcysteine ocular_cancer GAP_HIGH 0.1973 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in ocular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) methacholine pancreatitis GAP_HIGH 0.1973 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in pancreatitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) vitamin_c osteoporosis GAP_HIGH 0.1973 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in osteoporosis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) vitamin_c psoriasis GAP_HIGH 0.1973 0.25 histamine_phosphate High-priority: Binding assay vitamin_c→?; validate in psoriasis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) benzatropine testicular_cancer GAP_HIGH 0.1972 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) isoetarine vascular_cancer GAP_HIGH 0.1972 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in vascular_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.55) cytarabine rheumatoid_arthritis GAP_HIGH 0.1972 0.4 telbivudine High-priority: Binding assay cytarabine→?; validate in rheumatoid_arthritis cell model. Expected: similar to telbivudine (Jaccard=0.40) heptabarbital psoriatic_arthritis GAP_HIGH 0.1972 0.38095238095238093 chlorprothixene High-priority: Binding assay heptabarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.38) amobarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.1972 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) acetylcysteine alzheimers_disease GAP_HIGH 0.1972 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in alzheimers_disease cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine parkinsons_disease GAP_HIGH 0.1972 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in parkinsons_disease cell model. Expected: similar to l-histidine (Jaccard=0.32) nitisinone brain_cancer GAP_HIGH 0.1972 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in brain_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) nitisinone intracranial_aneurysm GAP_HIGH 0.1972 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in intracranial_aneurysm cell model. Expected: similar to loteprednol (Jaccard=0.20) pipotiazine systemic_lupus_erythematosus GAP_HIGH 0.1971 0.9166666666666666 thioproperazine High-priority: Binding assay pipotiazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to thioproperazine (Jaccard=0.92) benzatropine vascular_cancer GAP_HIGH 0.1971 0.625 bepridil High-priority: Binding assay benzatropine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.62) medroxyprogesterone_acetate breast_cancer GAP_HIGH 0.1971 0.6 etonogestrel High-priority: Binding assay medroxyprogesterone_acetate→?; validate in breast_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.60) ketazolam asthma GAP_HIGH 0.1971 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in asthma cell model. Expected: similar to phenindione (Jaccard=0.57) ketazolam conduct_disorder GAP_HIGH 0.1971 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in conduct_disorder cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane atopic_dermatitis GAP_HIGH 0.1971 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in atopic_dermatitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) mephentermine epilepsy_syndrome GAP_HIGH 0.1971 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in epilepsy_syndrome cell model. Expected: similar to phenformin (Jaccard=0.40) amiloride melanoma GAP_HIGH 0.1971 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine amyotrophic_lateral_sclerosis GAP_HIGH 0.1971 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine autistic_disorder GAP_HIGH 0.1971 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in autistic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine nicotine_dependence GAP_HIGH 0.1971 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in nicotine_dependence cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam systemic_lupus_erythematosus GAP_HIGH 0.1971 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.32) metolazone pagets_disease_of_bone GAP_HIGH 0.1971 0.2 clodronate High-priority: Binding assay metolazone→?; validate in pagets_disease_of_bone cell model. Expected: similar to clodronate (Jaccard=0.20) clobazam asthma GAP_HIGH 0.197 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.63) clobazam atopic_dermatitis GAP_HIGH 0.197 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) ketazolam atopic_dermatitis GAP_HIGH 0.197 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in atopic_dermatitis cell model. Expected: similar to phenindione (Jaccard=0.57) ketazolam hypertension GAP_HIGH 0.197 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in hypertension cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane allergic_rhinitis GAP_HIGH 0.197 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in allergic_rhinitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) cladribine multiple_sclerosis GAP_HIGH 0.197 0.5 emtricitabine High-priority: Binding assay cladribine→?; validate in multiple_sclerosis cell model. Expected: similar to emtricitabine (Jaccard=0.50) dopamine alzheimers_disease GAP_HIGH 0.197 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in alzheimers_disease cell model. Expected: similar to orciprenaline (Jaccard=0.50) dopamine parkinsons_disease GAP_HIGH 0.197 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in parkinsons_disease cell model. Expected: similar to orciprenaline (Jaccard=0.50) sulpiride crohns_disease GAP_HIGH 0.197 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.43) quinestrol systemic_scleroderma GAP_HIGH 0.197 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in systemic_scleroderma cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) propofol obesity GAP_HIGH 0.197 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.40) estriol idiopathic_pulmonary_fibrosis GAP_HIGH 0.197 0.375 estrone High-priority: Binding assay estriol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estrone (Jaccard=0.38) amiloride duodenum_cancer GAP_HIGH 0.197 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in duodenum_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride gallbladder_cancer GAP_HIGH 0.197 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in gallbladder_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) epoprostenol vitiligo GAP_HIGH 0.197 0.3333333333333333 travoprost High-priority: Binding assay epoprostenol→?; validate in vitiligo cell model. Expected: similar to travoprost (Jaccard=0.33) acetylcysteine peripheral_nervous_system_neoplasm GAP_HIGH 0.197 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam metabolic_syndrome_x GAP_HIGH 0.197 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methohexital gout GAP_HIGH 0.197 0.2962962962962963 methdilazine High-priority: Binding assay methohexital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.30) methacholine lung_cancer GAP_HIGH 0.197 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in lung_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine rectum_cancer GAP_HIGH 0.197 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in rectum_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) diethylpropion psoriasis GAP_HIGH 0.1969 0.5833333333333334 ephedrine High-priority: Binding assay diethylpropion→?; validate in psoriasis cell model. Expected: similar to ephedrine (Jaccard=0.58) antipyrine melanoma GAP_HIGH 0.1969 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam allergic_rhinitis GAP_HIGH 0.1969 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in allergic_rhinitis cell model. Expected: similar to phenindione (Jaccard=0.57) isoetarine uterine_fibroid GAP_HIGH 0.1969 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in uterine_fibroid cell model. Expected: similar to levonordefrin (Jaccard=0.55) sotalol germ_cell_cancer GAP_HIGH 0.1969 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) dopamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1969 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to orciprenaline (Jaccard=0.50) doxylamine celiac_disease GAP_HIGH 0.1969 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) propofol systemic_scleroderma GAP_HIGH 0.1969 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.40) aprobarbital ankylosing_spondylitis GAP_HIGH 0.1969 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal ankylosing_spondylitis GAP_HIGH 0.1969 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) emtricitabine prostate_cancer GAP_HIGH 0.1969 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) telbivudine colon_cancer GAP_HIGH 0.1969 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) methacholine alzheimers_disease GAP_HIGH 0.1969 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in alzheimers_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine parkinsons_disease GAP_HIGH 0.1969 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in parkinsons_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) orlistat ocular_cancer GAP_HIGH 0.1969 0.25 dihomo-gamma-linolenic_acid High-priority: Binding assay orlistat→?; validate in ocular_cancer cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.25) medroxyprogesterone_acetate uterine_cancer GAP_HIGH 0.1968 0.6 etonogestrel High-priority: Binding assay medroxyprogesterone_acetate→?; validate in uterine_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.60) ketazolam psoriasis GAP_HIGH 0.1968 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in psoriasis cell model. Expected: similar to phenindione (Jaccard=0.57) ketazolam ulcerative_colitis GAP_HIGH 0.1968 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in ulcerative_colitis cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane multiple_sclerosis GAP_HIGH 0.1968 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in multiple_sclerosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) trilostane psoriasis GAP_HIGH 0.1968 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in psoriasis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) levonorgestrel malignant_glioma GAP_HIGH 0.1968 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in malignant_glioma cell model. Expected: similar to norethindrone (Jaccard=0.55) prednicarbate restless_legs_syndrome GAP_HIGH 0.1968 0.5454545454545454 medrysone High-priority: Binding assay prednicarbate→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.55) aprobarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.1968 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal chronic_obstructive_pulmonary_disease GAP_HIGH 0.1968 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) quinacrine leprosy GAP_HIGH 0.1968 0.3181818181818182 phensuximide High-priority: Binding assay quinacrine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.32) quazepam testicular_cancer GAP_HIGH 0.1968 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam vaginal_cancer GAP_HIGH 0.1968 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam vulva_cancer GAP_HIGH 0.1968 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methacholine amyotrophic_lateral_sclerosis GAP_HIGH 0.1968 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine autistic_disorder GAP_HIGH 0.1968 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in autistic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine liver_cancer GAP_HIGH 0.1968 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in liver_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine nicotine_dependence GAP_HIGH 0.1968 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in nicotine_dependence cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) clobazam multiple_sclerosis GAP_HIGH 0.1967 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in multiple_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) clobazam osteoporosis GAP_HIGH 0.1967 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) clobazam psoriasis GAP_HIGH 0.1967 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) ketazolam multiple_sclerosis GAP_HIGH 0.1967 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in multiple_sclerosis cell model. Expected: similar to phenindione (Jaccard=0.57) ketazolam osteoporosis GAP_HIGH 0.1967 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in osteoporosis cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane sarcoma GAP_HIGH 0.1967 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in sarcoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) estradiol_valeratedienogest germ_cell_cancer GAP_HIGH 0.1967 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in germ_cell_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) azacitidine vitiligo GAP_HIGH 0.1967 0.4666666666666667 abacavir High-priority: Binding assay azacitidine→?; validate in vitiligo cell model. Expected: similar to abacavir (Jaccard=0.47) tolazoline azoospermia GAP_HIGH 0.1967 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.44) estriol gout GAP_HIGH 0.1967 0.375 estrone High-priority: Binding assay estriol→?; validate in gout cell model. Expected: similar to estrone (Jaccard=0.38) amobarbital lung_cancer GAP_HIGH 0.1967 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital rectum_cancer GAP_HIGH 0.1967 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butabarbital crohns_disease GAP_HIGH 0.1967 0.34782608695652173 methdilazine High-priority: Binding assay butabarbital→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.35) amiloride sclerosing_cholangitis GAP_HIGH 0.1967 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.33) doxapram alcohol_dependence GAP_HIGH 0.1967 0.3333333333333333 ethylmorphine High-priority: Binding assay doxapram→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.33) isoetarine restless_legs_syndrome GAP_HIGH 0.1966 0.5454545454545454 levonordefrin High-priority: Binding assay isoetarine→?; validate in restless_legs_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.55) procarbazine atopic_dermatitis GAP_HIGH 0.1966 0.5384615384615384 sotalol High-priority: Binding assay procarbazine→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.54) procarbazine breast_cancer GAP_HIGH 0.1966 0.5384615384615384 sotalol High-priority: Binding assay procarbazine→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.54) phenindione pancreatitis GAP_HIGH 0.1966 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in pancreatitis cell model. Expected: similar to oxaprozin (Jaccard=0.53) quinestrol vitiligo GAP_HIGH 0.1966 0.4166666666666667 cortisone_acetate High-priority: Binding assay quinestrol→?; validate in vitiligo cell model. Expected: similar to cortisone_acetate (Jaccard=0.42) quinapril type_1_diabetes_mellitus GAP_HIGH 0.1966 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.33) acetylcysteine asthma GAP_HIGH 0.1966 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in asthma cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine breast_cancer GAP_HIGH 0.1966 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in breast_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine conduct_disorder GAP_HIGH 0.1966 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in conduct_disorder cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine panic_disorder GAP_HIGH 0.1966 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in panic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine schizophrenia GAP_HIGH 0.1966 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in schizophrenia cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam obesity GAP_HIGH 0.1966 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.32) telbivudine ovarian_cancer GAP_HIGH 0.1966 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in ovarian_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) methacholine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1966 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine peripheral_nervous_system_neoplasm GAP_HIGH 0.1966 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) antipyrine creutzfeldt-jakob_disease GAP_HIGH 0.1965 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam systemic_lupus_erythematosus GAP_HIGH 0.1965 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenindione (Jaccard=0.57) trilostane systemic_lupus_erythematosus GAP_HIGH 0.1965 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) mephentermine alzheimers_disease GAP_HIGH 0.1965 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in alzheimers_disease cell model. Expected: similar to phenformin (Jaccard=0.40) mephentermine parkinsons_disease GAP_HIGH 0.1965 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in parkinsons_disease cell model. Expected: similar to phenformin (Jaccard=0.40) propofol type_2_diabetes_mellitus GAP_HIGH 0.1965 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.40) estriol coronary_artery_disease GAP_HIGH 0.1965 0.375 estrone High-priority: Binding assay estriol→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.38) estriol hematologic_cancer GAP_HIGH 0.1965 0.375 estrone High-priority: Binding assay estriol→?; validate in hematologic_cancer cell model. Expected: similar to estrone (Jaccard=0.38) amobarbital alzheimers_disease GAP_HIGH 0.1965 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital autistic_disorder GAP_HIGH 0.1965 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital liver_cancer GAP_HIGH 0.1965 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital nicotine_dependence GAP_HIGH 0.1965 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital parkinsons_disease GAP_HIGH 0.1965 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) acetylcysteine allergic_rhinitis GAP_HIGH 0.1965 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in allergic_rhinitis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine atopic_dermatitis GAP_HIGH 0.1965 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in atopic_dermatitis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine colon_cancer GAP_HIGH 0.1965 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in colon_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) clobazam systemic_lupus_erythematosus GAP_HIGH 0.1964 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.63) orphenadrine azoospermia GAP_HIGH 0.1964 0.6 disopyramide High-priority: Binding assay orphenadrine→?; validate in azoospermia cell model. Expected: similar to disopyramide (Jaccard=0.60) sulpiride primary_biliary_cirrhosis GAP_HIGH 0.1964 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.43) propofol vitiligo GAP_HIGH 0.1964 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.40) amobarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.1964 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) heptabarbital crohns_disease GAP_HIGH 0.1964 0.35 methdilazine High-priority: Binding assay heptabarbital→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.35) amiloride pharynx_cancer GAP_HIGH 0.1964 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in pharynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine bipolar_disorder GAP_HIGH 0.1964 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in bipolar_disorder cell model. Expected: similar to l-histidine (Jaccard=0.32) nitisinone head_and_neck_cancer GAP_HIGH 0.1964 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in head_and_neck_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) nitisinone malignant_glioma GAP_HIGH 0.1964 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in malignant_glioma cell model. Expected: similar to loteprednol (Jaccard=0.20) clobazam metabolic_syndrome_x GAP_HIGH 0.1963 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.63) trilostane osteoarthritis GAP_HIGH 0.1963 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in osteoarthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) trilostane skin_cancer GAP_HIGH 0.1963 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in skin_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) sotalol penile_cancer GAP_HIGH 0.1963 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) dopamine breast_cancer GAP_HIGH 0.1963 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in breast_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.50) acetylcysteine endogenous_depression GAP_HIGH 0.1963 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in endogenous_depression cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine osteoporosis GAP_HIGH 0.1963 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in osteoporosis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine uterine_cancer GAP_HIGH 0.1963 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in uterine_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) quazepam uterine_fibroid GAP_HIGH 0.1963 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methacholine panic_disorder GAP_HIGH 0.1963 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in panic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine schizophrenia GAP_HIGH 0.1963 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in schizophrenia cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) ketazolam osteoarthritis GAP_HIGH 0.1962 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in osteoarthritis cell model. Expected: similar to phenindione (Jaccard=0.57) probenecid atherosclerosis GAP_HIGH 0.1962 0.5555555555555556 clofibrate High-priority: Binding assay probenecid→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.56) norelgestromin sarcoma GAP_HIGH 0.1962 0.5 cortisone_acetate High-priority: Binding assay norelgestromin→?; validate in sarcoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.50) sulpiride coronary_artery_disease GAP_HIGH 0.1962 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.43) propofol rheumatoid_arthritis GAP_HIGH 0.1962 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) butabarbital skin_cancer GAP_HIGH 0.1962 0.36666666666666664 flurbiprofen High-priority: Binding assay butabarbital→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.37) amobarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.1962 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital lung_cancer GAP_HIGH 0.1962 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital rectum_cancer GAP_HIGH 0.1962 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal lung_cancer GAP_HIGH 0.1962 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal rectum_cancer GAP_HIGH 0.1962 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) latanoprost idiopathic_pulmonary_fibrosis GAP_HIGH 0.1962 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) acetylcysteine migraine GAP_HIGH 0.1962 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in migraine cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine multiple_sclerosis GAP_HIGH 0.1962 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in multiple_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine ovarian_cancer GAP_HIGH 0.1962 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in ovarian_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine sarcoma GAP_HIGH 0.1962 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in sarcoma cell model. Expected: similar to l-histidine (Jaccard=0.32) methacholine asthma GAP_HIGH 0.1962 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in asthma cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine atopic_dermatitis GAP_HIGH 0.1962 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in atopic_dermatitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine colon_cancer GAP_HIGH 0.1962 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in colon_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine conduct_disorder GAP_HIGH 0.1962 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in conduct_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) acetophenazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1961 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nefazodone (Jaccard=0.67) bethanidine atherosclerosis GAP_HIGH 0.1961 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.59) clofarabine sclerosing_cholangitis GAP_HIGH 0.1961 0.47058823529411764 cladribine High-priority: Binding assay clofarabine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cladribine (Jaccard=0.47) allylestrenol intracranial_aneurysm GAP_HIGH 0.1961 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in intracranial_aneurysm cell model. Expected: similar to norethindrone (Jaccard=0.45) aprobarbital alzheimers_disease GAP_HIGH 0.1961 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital parkinsons_disease GAP_HIGH 0.1961 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal alzheimers_disease GAP_HIGH 0.1961 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in alzheimers_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal parkinsons_disease GAP_HIGH 0.1961 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in parkinsons_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride thyroid_cancer GAP_HIGH 0.1961 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in thyroid_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) methacholine allergic_rhinitis GAP_HIGH 0.1961 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in allergic_rhinitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine bipolar_disorder GAP_HIGH 0.1961 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in bipolar_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine stomach_cancer GAP_HIGH 0.1961 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in stomach_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) floxuridine vitiligo GAP_HIGH 0.196 0.5384615384615384 abacavir High-priority: Binding assay floxuridine→?; validate in vitiligo cell model. Expected: similar to abacavir (Jaccard=0.54) dopamine ovarian_cancer GAP_HIGH 0.196 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in ovarian_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.50) propofol psoriatic_arthritis GAP_HIGH 0.196 0.4 chlorprothixene High-priority: Binding assay propofol→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.40) methylphenobarbital azoospermia GAP_HIGH 0.196 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.38) aprobarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital autistic_disorder GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital liver_cancer GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital nicotine_dependence GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal amyotrophic_lateral_sclerosis GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal autistic_disorder GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in autistic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal liver_cancer GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal nicotine_dependence GAP_HIGH 0.196 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in nicotine_dependence cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butabarbital gout GAP_HIGH 0.196 0.34782608695652173 methdilazine High-priority: Binding assay butabarbital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.35) quazepam polycystic_ovary_syndrome GAP_HIGH 0.196 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam type_2_diabetes_mellitus GAP_HIGH 0.196 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.32) quazepam vitiligo GAP_HIGH 0.196 0.3157894736842105 chlorprothixene High-priority: Binding assay quazepam→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.32) methacholine endogenous_depression GAP_HIGH 0.196 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in endogenous_depression cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine pancreatic_cancer GAP_HIGH 0.196 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in pancreatic_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine ulcerative_colitis GAP_HIGH 0.196 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in ulcerative_colitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) clobazam obesity GAP_HIGH 0.1959 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.63) antipyrine thyroid_cancer GAP_HIGH 0.1959 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane systemic_scleroderma GAP_HIGH 0.1959 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in systemic_scleroderma cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) estradiol_valeratedienogest malignant_mesothelioma GAP_HIGH 0.1959 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.55) l-asparagine pharynx_cancer GAP_HIGH 0.1959 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital asthma GAP_HIGH 0.1959 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital atopic_dermatitis GAP_HIGH 0.1959 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital colon_cancer GAP_HIGH 0.1959 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital conduct_disorder GAP_HIGH 0.1959 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) methacholine migraine GAP_HIGH 0.1959 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in migraine cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine multiple_sclerosis GAP_HIGH 0.1959 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in multiple_sclerosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine ovarian_cancer GAP_HIGH 0.1959 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in ovarian_cancer cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine psoriasis GAP_HIGH 0.1959 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in psoriasis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) tauroursodeoxycholic_acid prostate_cancer GAP_HIGH 0.1959 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in prostate_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) clobazam systemic_scleroderma GAP_HIGH 0.1958 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.63) diazepam alcohol_dependence GAP_HIGH 0.1958 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.62) antipyrine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1958 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam systemic_scleroderma GAP_HIGH 0.1958 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in systemic_scleroderma cell model. Expected: similar to phenindione (Jaccard=0.57) cyproterone_acetate dilated_cardiomyopathy GAP_HIGH 0.1958 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.42) amobarbital allergic_rhinitis GAP_HIGH 0.1958 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital hypertension GAP_HIGH 0.1958 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital stomach_cancer GAP_HIGH 0.1958 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.1958 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal attention_deficit_hyperactivity_disorder GAP_HIGH 0.1958 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride pancreatitis GAP_HIGH 0.1958 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.33) estriol larynx_cancer GAP_HIGH 0.1958 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) acetylcysteine osteoarthritis GAP_HIGH 0.1958 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in osteoarthritis cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine skin_cancer GAP_HIGH 0.1958 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in skin_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) methacholine sarcoma GAP_HIGH 0.1958 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in sarcoma cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) acetophenazine muscle_cancer GAP_HIGH 0.1957 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.67) clofarabine osteoporosis GAP_HIGH 0.1957 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.48) estriol melanoma GAP_HIGH 0.1957 0.375 estrone High-priority: Binding assay estriol→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.38) estropipate alopecia_areata GAP_HIGH 0.1957 0.375 estrone High-priority: Binding assay estropipate→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.38) amobarbital endogenous_depression GAP_HIGH 0.1957 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital ulcerative_colitis GAP_HIGH 0.1957 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) heptabarbital gout GAP_HIGH 0.1957 0.35 methdilazine High-priority: Binding assay heptabarbital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.35) amiloride salivary_gland_cancer GAP_HIGH 0.1957 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in salivary_gland_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine vaginal_cancer GAP_HIGH 0.1957 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in vaginal_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine vulva_cancer GAP_HIGH 0.1957 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in vulva_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) antipyrine pancreatitis GAP_HIGH 0.1956 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in pancreatitis cell model. Expected: similar to phenytoin (Jaccard=0.58) amobarbital osteoporosis GAP_HIGH 0.1956 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital ovarian_cancer GAP_HIGH 0.1956 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital psoriasis GAP_HIGH 0.1956 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital uterine_cancer GAP_HIGH 0.1956 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride muscle_cancer GAP_HIGH 0.1956 0.3333333333333333 adefovir_dipivoxil High-priority: Binding assay amiloride→?; validate in muscle_cancer cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.33) acetylcysteine testicular_cancer GAP_HIGH 0.1956 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in testicular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) gliquidone crohns_disease GAP_HIGH 0.1956 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) emtricitabine duodenum_cancer GAP_HIGH 0.1956 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) emtricitabine gallbladder_cancer GAP_HIGH 0.1956 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) eprosartan gestational_diabetes GAP_HIGH 0.1956 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in gestational_diabetes cell model. Expected: similar to tolbutamide (Jaccard=0.25) methacholine systemic_lupus_erythematosus GAP_HIGH 0.1956 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) levonorgestrel chronic_obstructive_pulmonary_disease GAP_HIGH 0.1955 0.5714285714285714 medroxyprogesterone_acetate High-priority: Binding assay levonorgestrel→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.57) probenecid malaria GAP_HIGH 0.1955 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.56) sotalol meningioma GAP_HIGH 0.1955 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.54) ketazolam chronic_kidney_failure GAP_HIGH 0.1955 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorpromazine (Jaccard=0.52) clofarabine systemic_lupus_erythematosus GAP_HIGH 0.1955 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vidarabine (Jaccard=0.48) prazepam sclerosing_cholangitis GAP_HIGH 0.1955 0.4117647058823529 fludiazepam High-priority: Binding assay prazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.41) mephentermine migraine GAP_HIGH 0.1955 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in migraine cell model. Expected: similar to phenformin (Jaccard=0.40) l-asparagine epilepsy_syndrome GAP_HIGH 0.1955 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in epilepsy_syndrome cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital asthma GAP_HIGH 0.1955 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal asthma GAP_HIGH 0.1955 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in asthma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride lung_cancer GAP_HIGH 0.1955 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in lung_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride ocular_cancer GAP_HIGH 0.1955 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in ocular_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride rectum_cancer GAP_HIGH 0.1955 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in rectum_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amobarbital azoospermia GAP_HIGH 0.1955 0.3333333333333333 chlorpromazine High-priority: Binding assay amobarbital→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.33) acetylcysteine vascular_cancer GAP_HIGH 0.1955 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in vascular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.32) methacholine metabolic_syndrome_x GAP_HIGH 0.1955 0.25 clopidogrel High-priority: Binding assay methacholine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clopidogrel (Jaccard=0.25) solifenacin azoospermia GAP_HIGH 0.1955 0.25 aprindine High-priority: Binding assay solifenacin→?; validate in azoospermia cell model. Expected: similar to aprindine (Jaccard=0.25) antipyrine muscle_cancer GAP_HIGH 0.1954 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) methadyl_acetate celiac_disease GAP_HIGH 0.1954 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) trilostane vitiligo GAP_HIGH 0.1954 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in vitiligo cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) aprobarbital atopic_dermatitis GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital colon_cancer GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital conduct_disorder GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital hypertension GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal atopic_dermatitis GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal colon_cancer GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal conduct_disorder GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in conduct_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal hypertension GAP_HIGH 0.1954 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in hypertension cell model. Expected: similar to chlorprothixene (Jaccard=0.36) suprofen glaucoma GAP_HIGH 0.1953 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=0.64) clobazam type_2_diabetes_mellitus GAP_HIGH 0.1953 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.63) clobazam vitiligo GAP_HIGH 0.1953 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.63) tripelennamine polycystic_ovary_syndrome GAP_HIGH 0.1953 0.625 mepyramine High-priority: Binding assay tripelennamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to mepyramine (Jaccard=0.62) antipyrine lung_cancer GAP_HIGH 0.1953 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam vitiligo GAP_HIGH 0.1953 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in vitiligo cell model. Expected: similar to phenindione (Jaccard=0.57) estazolam chronic_kidney_failure GAP_HIGH 0.1953 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in chronic_kidney_failure cell model. Expected: similar to fludiazepam (Jaccard=0.56) sulpiride duodenum_cancer GAP_HIGH 0.1953 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride gallbladder_cancer GAP_HIGH 0.1953 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride melanoma GAP_HIGH 0.1953 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol sclerosing_cholangitis GAP_HIGH 0.1953 0.375 estrone High-priority: Binding assay estriol→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine salivary_gland_cancer GAP_HIGH 0.1953 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital systemic_lupus_erythematosus GAP_HIGH 0.1953 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital allergic_rhinitis GAP_HIGH 0.1953 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital stomach_cancer GAP_HIGH 0.1953 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal allergic_rhinitis GAP_HIGH 0.1953 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in allergic_rhinitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal stomach_cancer GAP_HIGH 0.1953 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride liver_cancer GAP_HIGH 0.1953 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in liver_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) telbivudine polycystic_ovary_syndrome GAP_HIGH 0.1953 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gemcitabine (Jaccard=0.29) telbivudine type_2_diabetes_mellitus GAP_HIGH 0.1953 0.2857142857142857 gemcitabine High-priority: Binding assay telbivudine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.29) antipyrine parkinsons_disease GAP_HIGH 0.1952 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in parkinsons_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane rheumatoid_arthritis GAP_HIGH 0.1952 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in rheumatoid_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) clofarabine osteoarthritis GAP_HIGH 0.1952 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) allylestrenol malignant_glioma GAP_HIGH 0.1952 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in malignant_glioma cell model. Expected: similar to norethindrone (Jaccard=0.45) amobarbital metabolic_syndrome_x GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital endogenous_depression GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital psoriasis GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital ulcerative_colitis GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal endogenous_depression GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in endogenous_depression cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal psoriasis GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in psoriasis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal ulcerative_colitis GAP_HIGH 0.1952 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride urinary_bladder_cancer GAP_HIGH 0.1952 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in urinary_bladder_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine uterine_fibroid GAP_HIGH 0.1952 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in uterine_fibroid cell model. Expected: similar to l-histidine (Jaccard=0.32) suprofen intracranial_aneurysm GAP_HIGH 0.1951 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.64) clobazam rheumatoid_arthritis GAP_HIGH 0.1951 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) antipyrine amyotrophic_lateral_sclerosis GAP_HIGH 0.1951 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to phenytoin (Jaccard=0.58) antipyrine nicotine_dependence GAP_HIGH 0.1951 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in nicotine_dependence cell model. Expected: similar to phenytoin (Jaccard=0.58) ketazolam rheumatoid_arthritis GAP_HIGH 0.1951 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in rheumatoid_arthritis cell model. Expected: similar to phenindione (Jaccard=0.57) dasatinib primary_biliary_cirrhosis GAP_HIGH 0.1951 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sunitinib (Jaccard=0.53) l-asparagine muscle_cancer GAP_HIGH 0.1951 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital osteoarthritis GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital osteoporosis GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital ovarian_cancer GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital uterine_cancer GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal osteoporosis GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in osteoporosis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal ovarian_cancer GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal uterine_cancer GAP_HIGH 0.1951 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) methacholine obesity GAP_HIGH 0.1951 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in obesity cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) antipyrine urinary_bladder_cancer GAP_HIGH 0.195 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) trilostane psoriatic_arthritis GAP_HIGH 0.195 0.5555555555555556 cortisone_acetate High-priority: Binding assay trilostane→?; validate in psoriatic_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.56) sulpiride sclerosing_cholangitis GAP_HIGH 0.195 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.43) mephentermine osteoarthritis GAP_HIGH 0.195 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in osteoarthritis cell model. Expected: similar to phenformin (Jaccard=0.40) mephentermine azoospermia GAP_HIGH 0.195 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.38) amobarbital testicular_cancer GAP_HIGH 0.195 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital vaginal_cancer GAP_HIGH 0.195 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital vulva_cancer GAP_HIGH 0.195 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) heptabarbital narcolepsy GAP_HIGH 0.195 0.34782608695652173 chlorpromazine High-priority: Binding assay heptabarbital→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.35) pralatrexate bone_cancer GAP_HIGH 0.195 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) gliquidone primary_biliary_cirrhosis GAP_HIGH 0.195 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.32) dextropropoxyphene gilles_de_la_tourette_syndrome GAP_HIGH 0.195 0.2857142857142857 alvimopan High-priority: Binding assay dextropropoxyphene→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.29) methacholine systemic_scleroderma GAP_HIGH 0.195 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in systemic_scleroderma cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) amiloride barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking amiloride vs barretts_esophagus targets. Cross-check amiloride pharmacophore against barretts_esophagus pathway. baclofen barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking baclofen vs barretts_esophagus targets. Cross-check baclofen pharmacophore against barretts_esophagus pathway. benazepril barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking benazepril vs barretts_esophagus targets. Cross-check benazepril pharmacophore against barretts_esophagus pathway. candesartan barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking candesartan vs barretts_esophagus targets. Cross-check candesartan pharmacophore against barretts_esophagus pathway. captopril barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking captopril vs barretts_esophagus targets. Cross-check captopril pharmacophore against barretts_esophagus pathway. carprofen barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking carprofen vs barretts_esophagus targets. Cross-check carprofen pharmacophore against barretts_esophagus pathway. carvedilol barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking carvedilol vs barretts_esophagus targets. Cross-check carvedilol pharmacophore against barretts_esophagus pathway. cilazapril barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking cilazapril vs barretts_esophagus targets. Cross-check cilazapril pharmacophore against barretts_esophagus pathway. dextropropoxyphene barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking dextropropoxyphene vs barretts_esophagus targets. Cross-check dextropropoxyphene pharmacophore against barretts_esophagus pathway. estriol barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking estriol vs barretts_esophagus targets. Cross-check estriol pharmacophore against barretts_esophagus pathway. estropipate barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking estropipate vs barretts_esophagus targets. Cross-check estropipate pharmacophore against barretts_esophagus pathway. flutamide barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking flutamide vs barretts_esophagus targets. Cross-check flutamide pharmacophore against barretts_esophagus pathway. glimepiride barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking glimepiride vs barretts_esophagus targets. Cross-check glimepiride pharmacophore against barretts_esophagus pathway. glipizide barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking glipizide vs barretts_esophagus targets. Cross-check glipizide pharmacophore against barretts_esophagus pathway. labetalol barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking labetalol vs barretts_esophagus targets. Cross-check labetalol pharmacophore against barretts_esophagus pathway. mannitol barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking mannitol vs barretts_esophagus targets. Cross-check mannitol pharmacophore against barretts_esophagus pathway. nicardipine barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking nicardipine vs barretts_esophagus targets. Cross-check nicardipine pharmacophore against barretts_esophagus pathway. nilvadipine barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking nilvadipine vs barretts_esophagus targets. Cross-check nilvadipine pharmacophore against barretts_esophagus pathway. nitisinone barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking nitisinone vs barretts_esophagus targets. Cross-check nitisinone pharmacophore against barretts_esophagus pathway. olmesartan barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking olmesartan vs barretts_esophagus targets. Cross-check olmesartan pharmacophore against barretts_esophagus pathway. pravastatin barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking pravastatin vs barretts_esophagus targets. Cross-check pravastatin pharmacophore against barretts_esophagus pathway. quinapril barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking quinapril vs barretts_esophagus targets. Cross-check quinapril pharmacophore against barretts_esophagus pathway. ranolazine barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking ranolazine vs barretts_esophagus targets. Cross-check ranolazine pharmacophore against barretts_esophagus pathway. solifenacin barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking solifenacin vs barretts_esophagus targets. Cross-check solifenacin pharmacophore against barretts_esophagus pathway. spirapril barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking spirapril vs barretts_esophagus targets. Cross-check spirapril pharmacophore against barretts_esophagus pathway. tauroursodeoxycholic_acid barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking tauroursodeoxycholic_acid vs barretts_esophagus targets. Cross-check tauroursodeoxycholic_acid pharmacophore against barretts_esophagus pathway. trimethoprim barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking trimethoprim vs barretts_esophagus targets. Cross-check trimethoprim pharmacophore against barretts_esophagus pathway. vitamin_c barretts_esophagus GAP_LOW 0.195 0.0 pantoprazole Low-priority: Computational docking vitamin_c vs barretts_esophagus targets. Cross-check vitamin_c pharmacophore against barretts_esophagus pathway. ketazolam psoriatic_arthritis GAP_HIGH 0.1949 0.5714285714285714 phenindione High-priority: Binding assay ketazolam→?; validate in psoriatic_arthritis cell model. Expected: similar to phenindione (Jaccard=0.57) tolterodine celiac_disease GAP_HIGH 0.1949 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.57) phenindione metabolic_syndrome_x GAP_HIGH 0.1949 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxaprozin (Jaccard=0.53) clofarabine lung_cancer GAP_HIGH 0.1949 0.47058823529411764 cladribine High-priority: Binding assay clofarabine→?; validate in lung_cancer cell model. Expected: similar to cladribine (Jaccard=0.47) clofarabine rectum_cancer GAP_HIGH 0.1949 0.47058823529411764 cladribine High-priority: Binding assay clofarabine→?; validate in rectum_cancer cell model. Expected: similar to cladribine (Jaccard=0.47) estriol ankylosing_spondylitis GAP_HIGH 0.1949 0.375 estrone High-priority: Binding assay estriol→?; validate in ankylosing_spondylitis cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine alzheimers_disease GAP_HIGH 0.1949 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine parkinsons_disease GAP_HIGH 0.1949 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.37) acetylcysteine polycystic_ovary_syndrome GAP_HIGH 0.1949 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-histidine (Jaccard=0.32) acetylcysteine vitiligo GAP_HIGH 0.1949 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in vitiligo cell model. Expected: similar to l-histidine (Jaccard=0.32) methacholine uterine_fibroid GAP_HIGH 0.1949 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in uterine_fibroid cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) quazepam malaria GAP_HIGH 0.1949 0.25 phenobarbital High-priority: Binding assay quazepam→?; validate in malaria cell model. Expected: similar to phenobarbital (Jaccard=0.25) acetophenazine schizophrenia GAP_HIGH 0.1948 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in schizophrenia cell model. Expected: similar to nefazodone (Jaccard=0.67) clobazam psoriatic_arthritis GAP_HIGH 0.1948 0.631578947368421 chlorprothixene High-priority: Binding assay clobazam→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.63) phenindione skin_cancer GAP_HIGH 0.1948 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.53) dopamine restless_legs_syndrome GAP_HIGH 0.1948 0.5 orciprenaline High-priority: Binding assay dopamine→?; validate in restless_legs_syndrome cell model. Expected: similar to orciprenaline (Jaccard=0.50) clofarabine systemic_scleroderma GAP_HIGH 0.1948 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in systemic_scleroderma cell model. Expected: similar to vidarabine (Jaccard=0.48) estriol thyroid_cancer GAP_HIGH 0.1948 0.375 estrone High-priority: Binding assay estriol→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital azoospermia GAP_HIGH 0.1948 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in azoospermia cell model. Expected: similar to phenytoin (Jaccard=0.38) l-asparagine amyotrophic_lateral_sclerosis GAP_HIGH 0.1948 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital obesity GAP_HIGH 0.1948 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital systemic_lupus_erythematosus GAP_HIGH 0.1948 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal systemic_lupus_erythematosus GAP_HIGH 0.1948 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital azoospermia GAP_HIGH 0.1948 0.3333333333333333 chlorpromazine High-priority: Binding assay aprobarbital→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.33) butethal azoospermia GAP_HIGH 0.1948 0.3333333333333333 chlorpromazine High-priority: Binding assay butethal→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.33) gliquidone coronary_artery_disease GAP_HIGH 0.1948 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) lubiprostone coronary_artery_disease GAP_HIGH 0.1948 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in coronary_artery_disease cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) dextrothyroxine glaucoma GAP_HIGH 0.1948 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in glaucoma cell model. Expected: similar to liothyronine (Jaccard=0.20) l-asparagine peripheral_nervous_system_neoplasm GAP_HIGH 0.1947 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital systemic_scleroderma GAP_HIGH 0.1947 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital metabolic_syndrome_x GAP_HIGH 0.1947 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal metabolic_syndrome_x GAP_HIGH 0.1947 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride breast_cancer GAP_HIGH 0.1947 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in breast_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine rheumatoid_arthritis GAP_HIGH 0.1947 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-histidine (Jaccard=0.32) levonorgestrel germ_cell_cancer GAP_HIGH 0.1946 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in germ_cell_cancer cell model. Expected: similar to norethindrone (Jaccard=0.55) sotalol mediastinal_cancer GAP_HIGH 0.1946 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) fenbufen focal_segmental_glomerulosclerosis GAP_HIGH 0.1946 0.5 chlorthalidone High-priority: Binding assay fenbufen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.50) lapatinib larynx_cancer GAP_HIGH 0.1946 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) prazepam pancreatitis GAP_HIGH 0.1946 0.4117647058823529 fludiazepam High-priority: Binding assay prazepam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.41) mephentermine systemic_scleroderma GAP_HIGH 0.1946 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in systemic_scleroderma cell model. Expected: similar to phenformin (Jaccard=0.40) aprobarbital osteoarthritis GAP_HIGH 0.1946 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal osteoarthritis GAP_HIGH 0.1946 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride pancreatic_cancer GAP_HIGH 0.1946 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in pancreatic_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride stomach_cancer GAP_HIGH 0.1946 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in stomach_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) methacholine polycystic_ovary_syndrome GAP_HIGH 0.1946 0.25 clopidogrel High-priority: Binding assay methacholine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clopidogrel (Jaccard=0.25) methacholine restless_legs_syndrome GAP_HIGH 0.1946 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in restless_legs_syndrome cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) methacholine type_2_diabetes_mellitus GAP_HIGH 0.1946 0.25 clopidogrel High-priority: Binding assay methacholine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clopidogrel (Jaccard=0.25) acetophenazine osteoporosis GAP_HIGH 0.1945 0.6666666666666666 metixene High-priority: Binding assay acetophenazine→?; validate in osteoporosis cell model. Expected: similar to metixene (Jaccard=0.67) mestranol crohns_disease GAP_HIGH 0.1945 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in crohns_disease cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) antipyrine hypertension GAP_HIGH 0.1945 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in hypertension cell model. Expected: similar to phenytoin (Jaccard=0.58) sotalol thymus_cancer GAP_HIGH 0.1945 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) phenindione obesity GAP_HIGH 0.1945 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in obesity cell model. Expected: similar to oxaprozin (Jaccard=0.53) phenindione vascular_cancer GAP_HIGH 0.1945 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.53) mepyramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1945 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.50) tolazoline crohns_disease GAP_HIGH 0.1945 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.44) sulpiride ankylosing_spondylitis GAP_HIGH 0.1945 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.43) agomelatine atherosclerosis GAP_HIGH 0.1945 0.4117647058823529 naproxen High-priority: Binding assay agomelatine→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.41) amobarbital uterine_fibroid GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital testicular_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital vaginal_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital vulva_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal testicular_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal vaginal_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal vulva_cancer GAP_HIGH 0.1945 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride ulcerative_colitis GAP_HIGH 0.1945 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in ulcerative_colitis cell model. Expected: similar to vincristine (Jaccard=0.33) latanoprost creutzfeldt-jakob_disease GAP_HIGH 0.1945 0.3333333333333333 cyproheptadine High-priority: Binding assay latanoprost→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.33) methacholine vitiligo GAP_HIGH 0.1945 0.25 homatropine_methylbromide High-priority: Binding assay methacholine→?; validate in vitiligo cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) tauroursodeoxycholic_acid duodenum_cancer GAP_HIGH 0.1945 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in duodenum_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid gallbladder_cancer GAP_HIGH 0.1945 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in gallbladder_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) antipyrine pancreatic_cancer GAP_HIGH 0.1944 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in pancreatic_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) antipyrine stomach_cancer GAP_HIGH 0.1944 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in stomach_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) estradiol_valeratedienogest mediastinal_cancer GAP_HIGH 0.1944 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) estradiol_valeratedienogest primary_biliary_cirrhosis GAP_HIGH 0.1944 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fulvestrant (Jaccard=0.55) ketazolam azoospermia GAP_HIGH 0.1944 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.52) disopyramide germ_cell_cancer GAP_HIGH 0.1944 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) amiloride ovarian_cancer GAP_HIGH 0.1944 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in ovarian_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride uterine_cancer GAP_HIGH 0.1944 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in uterine_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) acetylcysteine psoriatic_arthritis GAP_HIGH 0.1944 0.3225806451612903 l-histidine High-priority: Binding assay acetylcysteine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-histidine (Jaccard=0.32) suprofen head_and_neck_cancer GAP_HIGH 0.1943 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen malignant_glioma GAP_HIGH 0.1943 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.64) estradiol_valeratedienogest thymus_cancer GAP_HIGH 0.1943 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) estriol muscle_cancer GAP_HIGH 0.1943 0.375 estrone High-priority: Binding assay estriol→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.38) quinestrol kidney_cancer GAP_HIGH 0.1943 0.3684210526315789 ethinyl_estradiol High-priority: Binding assay quinestrol→?; validate in kidney_cancer cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.37) l-asparagine asthma GAP_HIGH 0.1943 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital obesity GAP_HIGH 0.1943 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal obesity GAP_HIGH 0.1943 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in obesity cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride sarcoma GAP_HIGH 0.1943 0.3333333333333333 adefovir_dipivoxil High-priority: Binding assay amiloride→?; validate in sarcoma cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.33) nitisinone germ_cell_cancer GAP_HIGH 0.1943 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in germ_cell_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) acetophenazine systemic_lupus_erythematosus GAP_HIGH 0.1942 0.6666666666666666 cetirizine High-priority: Binding assay acetophenazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.67) antipyrine psoriasis GAP_HIGH 0.1942 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in psoriasis cell model. Expected: similar to phenytoin (Jaccard=0.58) fulvestrant alopecia_areata GAP_HIGH 0.1942 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in alopecia_areata cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) ketazolam membranous_glomerulonephritis GAP_HIGH 0.1942 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorpromazine (Jaccard=0.52) mephentermine polycystic_ovary_syndrome GAP_HIGH 0.1942 0.4 phenformin High-priority: Binding assay mephentermine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenformin (Jaccard=0.40) l-asparagine breast_cancer GAP_HIGH 0.1942 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine colon_cancer GAP_HIGH 0.1942 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amobarbital polycystic_ovary_syndrome GAP_HIGH 0.1942 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital type_2_diabetes_mellitus GAP_HIGH 0.1942 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital vitiligo GAP_HIGH 0.1942 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital systemic_scleroderma GAP_HIGH 0.1942 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal systemic_scleroderma GAP_HIGH 0.1942 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.36) propofol narcolepsy GAP_HIGH 0.1942 0.36363636363636365 chlorpromazine High-priority: Binding assay propofol→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.36) suprofen refractive_error GAP_HIGH 0.1941 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=0.64) mestranol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1941 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) antipyrine sarcoma GAP_HIGH 0.1941 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.58) clofarabine rheumatoid_arthritis GAP_HIGH 0.1941 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in rheumatoid_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) tolazoline idiopathic_pulmonary_fibrosis GAP_HIGH 0.1941 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.44) l-arginine metabolic_syndrome_x GAP_HIGH 0.1941 0.42857142857142855 benazepril High-priority: Binding assay l-arginine→?; validate in metabolic_syndrome_x cell model. Expected: similar to benazepril (Jaccard=0.43) pralatrexate stomach_cancer GAP_HIGH 0.1941 0.42857142857142855 pemetrexed High-priority: Binding assay pralatrexate→?; validate in stomach_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.43) sulpiride pancreatitis GAP_HIGH 0.1941 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol ocular_cancer GAP_HIGH 0.1941 0.375 estrone High-priority: Binding assay estriol→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine allergic_rhinitis GAP_HIGH 0.1941 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital uterine_fibroid GAP_HIGH 0.1941 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal uterine_fibroid GAP_HIGH 0.1941 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride systemic_lupus_erythematosus GAP_HIGH 0.1941 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vincristine (Jaccard=0.33) carboprost_tromethamine coronary_artery_disease GAP_HIGH 0.1941 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in coronary_artery_disease cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) fludiazepam narcolepsy GAP_HIGH 0.194 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) acetophenazine skin_cancer GAP_HIGH 0.194 0.6666666666666666 cetirizine High-priority: Binding assay acetophenazine→?; validate in skin_cancer cell model. Expected: similar to cetirizine (Jaccard=0.67) levonordefrin crohns_disease GAP_HIGH 0.194 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in crohns_disease cell model. Expected: similar to carbidopa (Jaccard=0.59) etonogestrel brain_cancer GAP_HIGH 0.194 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in brain_cancer cell model. Expected: similar to desogestrel (Jaccard=0.50) amobarbital rheumatoid_arthritis GAP_HIGH 0.194 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) clobazam kidney_cancer GAP_HIGH 0.1939 0.5789473684210527 quinacrine High-priority: Binding assay clobazam→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.58) antipyrine systemic_lupus_erythematosus GAP_HIGH 0.1939 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.58) phenindione type_2_diabetes_mellitus GAP_HIGH 0.1939 0.5333333333333333 oxaprozin High-priority: Binding assay phenindione→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to oxaprozin (Jaccard=0.53) clofarabine psoriatic_arthritis GAP_HIGH 0.1939 0.4782608695652174 vidarabine High-priority: Binding assay clofarabine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.48) clofarabine pancreatic_cancer GAP_HIGH 0.1939 0.47058823529411764 cladribine High-priority: Binding assay clofarabine→?; validate in pancreatic_cancer cell model. Expected: similar to cladribine (Jaccard=0.47) l-asparagine migraine GAP_HIGH 0.1939 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine osteoporosis GAP_HIGH 0.1939 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine ovarian_cancer GAP_HIGH 0.1939 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine uterine_cancer GAP_HIGH 0.1939 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) amiloride skin_cancer GAP_HIGH 0.1939 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in skin_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) trimethoprim germ_cell_cancer GAP_HIGH 0.1939 0.3333333333333333 capecitabine High-priority: Binding assay trimethoprim→?; validate in germ_cell_cancer cell model. Expected: similar to capecitabine (Jaccard=0.33) gliquidone duodenum_cancer GAP_HIGH 0.1939 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone gallbladder_cancer GAP_HIGH 0.1939 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone melanoma GAP_HIGH 0.1939 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.32) quazepam sclerosing_cholangitis GAP_HIGH 0.1939 0.29411764705882354 fludiazepam High-priority: Binding assay quazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.29) zuclopenthixol crohns_disease GAP_HIGH 0.1938 0.7857142857142857 pirenzepine High-priority: Binding assay zuclopenthixol→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.79) antipyrine metabolic_syndrome_x GAP_HIGH 0.1938 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenytoin (Jaccard=0.58) gemcitabine lung_cancer GAP_HIGH 0.1938 0.5714285714285714 trifluridine High-priority: Binding assay gemcitabine→?; validate in lung_cancer cell model. Expected: similar to trifluridine (Jaccard=0.57) melatonin chronic_kidney_failure GAP_HIGH 0.1938 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in chronic_kidney_failure cell model. Expected: similar to eletriptan (Jaccard=0.50) sulpiride lung_cancer GAP_HIGH 0.1938 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride rectum_cancer GAP_HIGH 0.1938 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) methylphenobarbital crohns_disease GAP_HIGH 0.1938 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in crohns_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estriol peripheral_nervous_system_neoplasm GAP_HIGH 0.1938 0.375 estrone High-priority: Binding assay estriol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam gilles_de_la_tourette_syndrome GAP_HIGH 0.1938 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.38) l-asparagine sarcoma GAP_HIGH 0.1938 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital polycystic_ovary_syndrome GAP_HIGH 0.1938 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital type_2_diabetes_mellitus GAP_HIGH 0.1938 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal polycystic_ovary_syndrome GAP_HIGH 0.1938 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal type_2_diabetes_mellitus GAP_HIGH 0.1938 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride testicular_cancer GAP_HIGH 0.1938 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in testicular_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride vaginal_cancer GAP_HIGH 0.1938 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in vaginal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amiloride vulva_cancer GAP_HIGH 0.1938 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in vulva_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) latanoprost chronic_obstructive_pulmonary_disease GAP_HIGH 0.1938 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost epilepsy_syndrome GAP_HIGH 0.1938 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.33) isoprenaline esophageal_cancer GAP_HIGH 0.1937 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) pomalidomide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1937 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.60) antipyrine skin_cancer GAP_HIGH 0.1937 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) dasatinib sclerosing_cholangitis GAP_HIGH 0.1937 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to sunitinib (Jaccard=0.53) l-arginine obesity GAP_HIGH 0.1937 0.42857142857142855 benazepril High-priority: Binding assay l-arginine→?; validate in obesity cell model. Expected: similar to benazepril (Jaccard=0.43) phenobarbital narcolepsy GAP_HIGH 0.1937 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in narcolepsy cell model. Expected: similar to acenocoumarol (Jaccard=0.38) amobarbital psoriatic_arthritis GAP_HIGH 0.1937 0.36363636363636365 chlorprothixene High-priority: Binding assay amobarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) aprobarbital vitiligo GAP_HIGH 0.1937 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal vitiligo GAP_HIGH 0.1937 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in vitiligo cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride vascular_cancer GAP_HIGH 0.1937 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in vascular_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) antipyrine testicular_cancer GAP_HIGH 0.1936 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in testicular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) tolazoline coronary_artery_disease GAP_HIGH 0.1936 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.44) disopyramide malignant_mesothelioma GAP_HIGH 0.1936 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.43) sulpiride liver_cancer GAP_HIGH 0.1936 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) gliquidone sclerosing_cholangitis GAP_HIGH 0.1936 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) dextrothyroxine refractive_error GAP_HIGH 0.1936 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in refractive_error cell model. Expected: similar to liothyronine (Jaccard=0.20) acetophenazine systemic_scleroderma GAP_HIGH 0.1935 0.6666666666666666 cetirizine High-priority: Binding assay acetophenazine→?; validate in systemic_scleroderma cell model. Expected: similar to cetirizine (Jaccard=0.67) antipyrine vascular_cancer GAP_HIGH 0.1935 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in vascular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) imipramine gout GAP_HIGH 0.1935 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.57) sotalol melanoma GAP_HIGH 0.1935 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=0.54) quinacrine crohns_disease GAP_HIGH 0.1935 0.4583333333333333 methdilazine High-priority: Binding assay quinacrine→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.46) phenobarbital malignant_mesothelioma GAP_HIGH 0.1935 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.38) l-asparagine skin_cancer GAP_HIGH 0.1935 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital rheumatoid_arthritis GAP_HIGH 0.1935 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal rheumatoid_arthritis GAP_HIGH 0.1935 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amiloride systemic_scleroderma GAP_HIGH 0.1935 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in systemic_scleroderma cell model. Expected: similar to vincristine (Jaccard=0.33) choline pagets_disease_of_bone GAP_HIGH 0.1935 0.2 histamine_phosphate High-priority: Binding assay choline→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) propofol leprosy GAP_HIGH 0.1935 0.1951219512195122 phensuximide High-priority: Binding assay propofol→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.20) zuclopenthixol prostate_cancer GAP_HIGH 0.1934 0.7857142857142857 pirenzepine High-priority: Binding assay zuclopenthixol→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.79) levonordefrin primary_biliary_cirrhosis GAP_HIGH 0.1934 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to carbidopa (Jaccard=0.59) antipyrine obesity GAP_HIGH 0.1934 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in obesity cell model. Expected: similar to phenytoin (Jaccard=0.58) estradiol_valeratedienogest melanoma GAP_HIGH 0.1934 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in melanoma cell model. Expected: similar to fulvestrant (Jaccard=0.55) doxylamine crohns_disease GAP_HIGH 0.1934 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) orciprenaline polycystic_ovary_syndrome GAP_HIGH 0.1934 0.5 pirbuterol High-priority: Binding assay orciprenaline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirbuterol (Jaccard=0.50) sulpiride peripheral_nervous_system_neoplasm GAP_HIGH 0.1934 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.43) methylphenobarbital prostate_cancer GAP_HIGH 0.1934 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estropipate brain_cancer GAP_HIGH 0.1934 0.375 estrone High-priority: Binding assay estropipate→?; validate in brain_cancer cell model. Expected: similar to estrone (Jaccard=0.38) estropipate intracranial_aneurysm GAP_HIGH 0.1934 0.375 estrone High-priority: Binding assay estropipate→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine osteoarthritis GAP_HIGH 0.1934 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.37) heptabarbital pancreatitis GAP_HIGH 0.1934 0.35 methdilazine High-priority: Binding assay heptabarbital→?; validate in pancreatitis cell model. Expected: similar to methdilazine (Jaccard=0.35) amiloride uterine_fibroid GAP_HIGH 0.1934 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in uterine_fibroid cell model. Expected: similar to vincristine (Jaccard=0.33) bepridil celiac_disease GAP_HIGH 0.1933 0.6666666666666666 mepenzolate High-priority: Binding assay bepridil→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.67) orphenadrine narcolepsy GAP_HIGH 0.1933 0.6 disopyramide High-priority: Binding assay orphenadrine→?; validate in narcolepsy cell model. Expected: similar to disopyramide (Jaccard=0.60) levonordefrin gout GAP_HIGH 0.1933 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in gout cell model. Expected: similar to carbidopa (Jaccard=0.59) antipyrine systemic_scleroderma GAP_HIGH 0.1933 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in systemic_scleroderma cell model. Expected: similar to phenytoin (Jaccard=0.58) estriol allergic_rhinitis GAP_HIGH 0.1933 0.375 estrone High-priority: Binding assay estriol→?; validate in allergic_rhinitis cell model. Expected: similar to estrone (Jaccard=0.38) estriol hypertension GAP_HIGH 0.1933 0.375 estrone High-priority: Binding assay estriol→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine testicular_cancer GAP_HIGH 0.1933 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine vaginal_cancer GAP_HIGH 0.1933 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) l-asparagine vulva_cancer GAP_HIGH 0.1933 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital psoriatic_arthritis GAP_HIGH 0.1933 0.36363636363636365 chlorprothixene High-priority: Binding assay aprobarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) butethal psoriatic_arthritis GAP_HIGH 0.1933 0.36363636363636365 chlorprothixene High-priority: Binding assay butethal→?; validate in psoriatic_arthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.36) amobarbital crohns_disease GAP_HIGH 0.1933 0.3333333333333333 methdilazine High-priority: Binding assay amobarbital→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.33) levonorgestrel meningioma GAP_HIGH 0.1932 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in meningioma cell model. Expected: similar to norethindrone (Jaccard=0.55) ritodrine hematologic_cancer GAP_HIGH 0.1932 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in hematologic_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital gout GAP_HIGH 0.1932 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital primary_biliary_cirrhosis GAP_HIGH 0.1932 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) l-asparagine vascular_cancer GAP_HIGH 0.1932 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.37) latanoprost alzheimers_disease GAP_HIGH 0.1932 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=0.33) emtricitabine breast_cancer GAP_HIGH 0.1932 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) emtricitabine colon_cancer GAP_HIGH 0.1932 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) zuclopenthixol gout GAP_HIGH 0.1931 0.7857142857142857 pirenzepine High-priority: Binding assay zuclopenthixol→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.79) acetophenazine vitiligo GAP_HIGH 0.1931 0.6666666666666666 nefazodone High-priority: Binding assay acetophenazine→?; validate in vitiligo cell model. Expected: similar to nefazodone (Jaccard=0.67) levonordefrin coronary_artery_disease GAP_HIGH 0.1931 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in coronary_artery_disease cell model. Expected: similar to carbidopa (Jaccard=0.59) allylestrenol germ_cell_cancer GAP_HIGH 0.1931 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in germ_cell_cancer cell model. Expected: similar to norethindrone (Jaccard=0.45) sulpiride panic_disorder GAP_HIGH 0.1931 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride schizophrenia GAP_HIGH 0.1931 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol psoriasis GAP_HIGH 0.1931 0.375 estrone High-priority: Binding assay estriol→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.38) stanozolol dilated_cardiomyopathy GAP_HIGH 0.1931 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) latanoprost amyotrophic_lateral_sclerosis GAP_HIGH 0.1931 0.3333333333333333 cyproheptadine High-priority: Binding assay latanoprost→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=0.33) latanoprost autistic_disorder GAP_HIGH 0.1931 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost nicotine_dependence GAP_HIGH 0.1931 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost parkinsons_disease GAP_HIGH 0.1931 0.3333333333333333 cyproheptadine High-priority: Binding assay latanoprost→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.33) gliquidone ankylosing_spondylitis GAP_HIGH 0.1931 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) isoprenaline type_1_diabetes_mellitus GAP_HIGH 0.193 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to mesalazine (Jaccard=0.67) amoxapine gilles_de_la_tourette_syndrome GAP_HIGH 0.193 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.64) estradiol_valeratedienogest sclerosing_cholangitis GAP_HIGH 0.193 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in sclerosing_cholangitis cell model. Expected: similar to fulvestrant (Jaccard=0.55) levomilnacipran malaria GAP_HIGH 0.193 0.45454545454545453 methylphenobarbital High-priority: Binding assay levomilnacipran→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.45) sulpiride asthma GAP_HIGH 0.193 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride colon_cancer GAP_HIGH 0.193 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride hypertension GAP_HIGH 0.193 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.43) methylphenobarbital coronary_artery_disease GAP_HIGH 0.193 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in coronary_artery_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril hematologic_cancer GAP_HIGH 0.193 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.38) cilazapril narcolepsy GAP_HIGH 0.193 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.38) estriol migraine GAP_HIGH 0.193 0.375 estrone High-priority: Binding assay estriol→?; validate in migraine cell model. Expected: similar to estrone (Jaccard=0.38) estriol multiple_sclerosis GAP_HIGH 0.193 0.375 estrone High-priority: Binding assay estriol→?; validate in multiple_sclerosis cell model. Expected: similar to estrone (Jaccard=0.38) estriol sarcoma GAP_HIGH 0.193 0.375 estrone High-priority: Binding assay estriol→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.38) amiloride vitiligo GAP_HIGH 0.193 0.3333333333333333 vincristine High-priority: Binding assay amiloride→?; validate in vitiligo cell model. Expected: similar to vincristine (Jaccard=0.33) butabarbital prostate_cancer GAP_HIGH 0.193 0.3333333333333333 azelastine High-priority: Binding assay butabarbital→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.33) cytarabine acquired_immunodeficiency_syndrome GAP_HIGH 0.193 0.3076923076923077 floxuridine High-priority: Binding assay cytarabine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to floxuridine (Jaccard=0.31) quazepam pancreatitis GAP_HIGH 0.193 0.29411764705882354 fludiazepam High-priority: Binding assay quazepam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.29) tauroursodeoxycholic_acid lung_cancer GAP_HIGH 0.193 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in lung_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid rectum_cancer GAP_HIGH 0.193 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in rectum_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) antipyrine polycystic_ovary_syndrome GAP_HIGH 0.1929 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenytoin (Jaccard=0.58) antipyrine type_2_diabetes_mellitus GAP_HIGH 0.1929 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenytoin (Jaccard=0.58) quinacrine gout GAP_HIGH 0.1929 0.4583333333333333 methdilazine High-priority: Binding assay quinacrine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.46) sulpiride allergic_rhinitis GAP_HIGH 0.1929 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride stomach_cancer GAP_HIGH 0.1929 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) mephentermine crohns_disease GAP_HIGH 0.1929 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.38) l-asparagine uterine_fibroid GAP_HIGH 0.1929 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.37) emtricitabine ovarian_cancer GAP_HIGH 0.1929 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) tropicamide atherosclerosis GAP_HIGH 0.1929 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) antipyrine vitiligo GAP_HIGH 0.1928 0.5769230769230769 phenytoin High-priority: Binding assay antipyrine→?; validate in vitiligo cell model. Expected: similar to phenytoin (Jaccard=0.58) gemcitabine pancreatic_cancer GAP_HIGH 0.1928 0.5714285714285714 trifluridine High-priority: Binding assay gemcitabine→?; validate in pancreatic_cancer cell model. Expected: similar to trifluridine (Jaccard=0.57) sotalol pharynx_cancer GAP_HIGH 0.1928 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) dasatinib pancreatitis GAP_HIGH 0.1928 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in pancreatitis cell model. Expected: similar to sunitinib (Jaccard=0.53) sulpiride ulcerative_colitis GAP_HIGH 0.1928 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol systemic_lupus_erythematosus GAP_HIGH 0.1928 0.375 estrone High-priority: Binding assay estriol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estrone (Jaccard=0.38) latanoprost attention_deficit_hyperactivity_disorder GAP_HIGH 0.1928 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) glisoxepide celiac_disease GAP_HIGH 0.1928 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.30) riboflavin acquired_immunodeficiency_syndrome GAP_HIGH 0.1928 0.2711864406779661 adenosine_monophosphate High-priority: Binding assay riboflavin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to adenosine_monophosphate (Jaccard=0.27) tauroursodeoxycholic_acid liver_cancer GAP_HIGH 0.1928 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in liver_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) nitisinone meningioma GAP_HIGH 0.1928 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in meningioma cell model. Expected: similar to loteprednol (Jaccard=0.20) sulpiride migraine GAP_HIGH 0.1927 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride osteoporosis GAP_HIGH 0.1927 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in osteoporosis cell model. Expected: similar to bezafibrate (Jaccard=0.43) sulpiride ovarian_cancer GAP_HIGH 0.1927 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.43) amobarbital gout GAP_HIGH 0.1927 0.3333333333333333 methdilazine High-priority: Binding assay amobarbital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.33) gliquidone pancreatitis GAP_HIGH 0.1927 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) medroxyprogesterone_acetate hypothyroidism GAP_HIGH 0.1927 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.25) tauroursodeoxycholic_acid urinary_bladder_cancer GAP_HIGH 0.1927 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) acetophenazine psoriatic_arthritis GAP_HIGH 0.1926 0.6666666666666666 cetirizine High-priority: Binding assay acetophenazine→?; validate in psoriatic_arthritis cell model. Expected: similar to cetirizine (Jaccard=0.67) levonorgestrel polycystic_ovary_syndrome GAP_HIGH 0.1926 0.5714285714285714 medroxyprogesterone_acetate High-priority: Binding assay levonorgestrel→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.57) sotalol thyroid_cancer GAP_HIGH 0.1926 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) l-arginine psoriatic_arthritis GAP_HIGH 0.1926 0.42857142857142855 benazepril High-priority: Binding assay l-arginine→?; validate in psoriatic_arthritis cell model. Expected: similar to benazepril (Jaccard=0.43) sulpiride sarcoma GAP_HIGH 0.1926 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol skin_cancer GAP_HIGH 0.1926 0.375 estrone High-priority: Binding assay estriol→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.38) estropipate malignant_glioma GAP_HIGH 0.1926 0.375 estrone High-priority: Binding assay estropipate→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital crohns_disease GAP_HIGH 0.1926 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.38) l-asparagine polycystic_ovary_syndrome GAP_HIGH 0.1926 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.37) aprobarbital crohns_disease GAP_HIGH 0.1926 0.3333333333333333 methdilazine High-priority: Binding assay aprobarbital→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.33) butethal crohns_disease GAP_HIGH 0.1926 0.3333333333333333 methdilazine High-priority: Binding assay butethal→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.33) latanoprost panic_disorder GAP_HIGH 0.1926 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost schizophrenia GAP_HIGH 0.1926 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=0.33) megestrol_acetate breast_cancer GAP_HIGH 0.1925 0.6666666666666666 ethynodiol High-priority: Binding assay megestrol_acetate→?; validate in breast_cancer cell model. Expected: similar to ethynodiol (Jaccard=0.67) imipramine duodenum_cancer GAP_HIGH 0.1925 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine gallbladder_cancer GAP_HIGH 0.1925 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) benzatropine esophageal_cancer GAP_HIGH 0.1925 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) dasatinib lung_cancer GAP_HIGH 0.1925 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.53) dimetindene gilles_de_la_tourette_syndrome GAP_HIGH 0.1925 0.5 brompheniramine High-priority: Binding assay dimetindene→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.50) mepyramine chronic_kidney_failure GAP_HIGH 0.1925 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.50) estriol osteoarthritis GAP_HIGH 0.1925 0.375 estrone High-priority: Binding assay estriol→?; validate in osteoarthritis cell model. Expected: similar to estrone (Jaccard=0.38) estropipate kidney_cancer GAP_HIGH 0.1925 0.375 estrone High-priority: Binding assay estropipate→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.38) latanoprost asthma GAP_HIGH 0.1925 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost atopic_dermatitis GAP_HIGH 0.1925 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in atopic_dermatitis cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost breast_cancer GAP_HIGH 0.1925 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost colon_cancer GAP_HIGH 0.1925 0.3333333333333333 cyproheptadine High-priority: Binding assay latanoprost→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.33) latanoprost conduct_disorder GAP_HIGH 0.1925 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost hypertension GAP_HIGH 0.1925 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.33) estradiol_valeratedienogest thyroid_cancer GAP_HIGH 0.1924 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in thyroid_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) dasatinib liver_cancer GAP_HIGH 0.1924 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in liver_cancer cell model. Expected: similar to sunitinib (Jaccard=0.53) fenbufen chronic_kidney_failure GAP_HIGH 0.1924 0.5 chlorthalidone High-priority: Binding assay fenbufen→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.50) estropipate nephrolithiasis GAP_HIGH 0.1924 0.375 estrone High-priority: Binding assay estropipate→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.38) amobarbital narcolepsy GAP_HIGH 0.1924 0.3333333333333333 chlorpromazine High-priority: Binding assay amobarbital→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.33) latanoprost allergic_rhinitis GAP_HIGH 0.1924 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost bipolar_disorder GAP_HIGH 0.1924 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) gliquidone lung_cancer GAP_HIGH 0.1924 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone rectum_cancer GAP_HIGH 0.1924 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) levonordefrin duodenum_cancer GAP_HIGH 0.1923 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in duodenum_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) levonordefrin gallbladder_cancer GAP_HIGH 0.1923 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in gallbladder_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) levonordefrin melanoma GAP_HIGH 0.1923 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in melanoma cell model. Expected: similar to carbidopa (Jaccard=0.59) tolterodine malignant_mesothelioma GAP_HIGH 0.1923 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.57) sotalol pancreatitis GAP_HIGH 0.1923 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=0.54) ketazolam duodenum_cancer GAP_HIGH 0.1923 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) ketazolam gallbladder_cancer GAP_HIGH 0.1923 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) l-asparagine rheumatoid_arthritis GAP_HIGH 0.1923 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.37) latanoprost endogenous_depression GAP_HIGH 0.1923 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=0.33) tauroursodeoxycholic_acid asthma GAP_HIGH 0.1923 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in asthma cell model. Expected: similar to drostanolone (Jaccard=0.24) amobarbital leprosy GAP_HIGH 0.1923 0.18604651162790697 phensuximide High-priority: Binding assay amobarbital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.19) phenmetrazine celiac_disease GAP_HIGH 0.1922 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) disopyramide mediastinal_cancer GAP_HIGH 0.1922 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) estropipate duodenum_cancer GAP_HIGH 0.1922 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in duodenum_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate gallbladder_cancer GAP_HIGH 0.1922 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in gallbladder_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate celiac_disease GAP_HIGH 0.1922 0.375 estrone High-priority: Binding assay estropipate→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital prostate_cancer GAP_HIGH 0.1922 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) propofol pancreatitis GAP_HIGH 0.1922 0.36363636363636365 chlorpromazine High-priority: Binding assay propofol→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.36) heptabarbital prostate_cancer GAP_HIGH 0.1922 0.3333333333333333 azelastine High-priority: Binding assay heptabarbital→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.33) latanoprost migraine GAP_HIGH 0.1922 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost multiple_sclerosis GAP_HIGH 0.1922 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost osteoporosis GAP_HIGH 0.1922 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in osteoporosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) latanoprost ovarian_cancer GAP_HIGH 0.1922 0.3333333333333333 cyproheptadine High-priority: Binding assay latanoprost→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.33) latanoprost psoriasis GAP_HIGH 0.1922 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in psoriasis cell model. Expected: similar to alcaftadine (Jaccard=0.33) gliquidone liver_cancer GAP_HIGH 0.1922 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) tauroursodeoxycholic_acid breast_cancer GAP_HIGH 0.1922 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in breast_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid colon_cancer GAP_HIGH 0.1922 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in colon_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid stomach_cancer GAP_HIGH 0.1922 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in stomach_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) alpha-linolenic_acid refractive_error GAP_HIGH 0.1922 0.2222222222222222 dihomo-gamma-linolenic_acid High-priority: Binding assay alpha-linolenic_acid→?; validate in refractive_error cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.22) nitisinone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1922 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to loteprednol (Jaccard=0.20) amlodipine barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking amlodipine vs barretts_esophagus targets. Cross-check amlodipine pharmacophore against barretts_esophagus pathway. amodiaquine barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking amodiaquine vs barretts_esophagus targets. Cross-check amodiaquine pharmacophore against barretts_esophagus pathway. carboprost_tromethamine barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking carboprost_tromethamine vs barretts_esophagus targets. Cross-check carboprost_tromethamine pharmacophore against barretts_esophagus pathway. conivaptan barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking conivaptan vs barretts_esophagus targets. Cross-check conivaptan pharmacophore against barretts_esophagus pathway. dinoprost_tromethamine barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking dinoprost_tromethamine vs barretts_esophagus targets. Cross-check dinoprost_tromethamine pharmacophore against barretts_esophagus pathway. dinoprostone barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking dinoprostone vs barretts_esophagus targets. Cross-check dinoprostone pharmacophore against barretts_esophagus pathway. epoprostenol barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking epoprostenol vs barretts_esophagus targets. Cross-check epoprostenol pharmacophore against barretts_esophagus pathway. eprosartan barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking eprosartan vs barretts_esophagus targets. Cross-check eprosartan pharmacophore against barretts_esophagus pathway. gliquidone barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking gliquidone vs barretts_esophagus targets. Cross-check gliquidone pharmacophore against barretts_esophagus pathway. glisoxepide barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking glisoxepide vs barretts_esophagus targets. Cross-check glisoxepide pharmacophore against barretts_esophagus pathway. sulpiride barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking sulpiride vs barretts_esophagus targets. Cross-check sulpiride pharmacophore against barretts_esophagus pathway. tafluprost barretts_esophagus GAP_LOW 0.1922 0.0 pantoprazole Low-priority: Computational docking tafluprost vs barretts_esophagus targets. Cross-check tafluprost pharmacophore against barretts_esophagus pathway. suprofen germ_cell_cancer GAP_HIGH 0.1921 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) megestrol_acetate head_and_neck_cancer GAP_HIGH 0.1921 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) imipramine creutzfeldt-jakob_disease GAP_HIGH 0.1921 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to desipramine (Jaccard=0.57) tranylcypromine kidney_cancer GAP_HIGH 0.1921 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.56) sotalol muscle_cancer GAP_HIGH 0.1921 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) disopyramide primary_biliary_cirrhosis GAP_HIGH 0.1921 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.43) methylphenobarbital duodenum_cancer GAP_HIGH 0.1921 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital gallbladder_cancer GAP_HIGH 0.1921 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital melanoma GAP_HIGH 0.1921 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estriol systemic_scleroderma GAP_HIGH 0.1921 0.375 estrone High-priority: Binding assay estriol→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.38) l-asparagine psoriatic_arthritis GAP_HIGH 0.1921 0.36666666666666664 l-serine High-priority: Binding assay l-asparagine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.37) tauroursodeoxycholic_acid pancreatic_cancer GAP_HIGH 0.1921 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in pancreatic_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) methadyl_acetate crohns_disease GAP_HIGH 0.192 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) tranylcypromine nephrolithiasis GAP_HIGH 0.192 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.56) fulvestrant brain_cancer GAP_HIGH 0.192 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in brain_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) sotalol rectum_cancer GAP_HIGH 0.192 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) disopyramide thymus_cancer GAP_HIGH 0.192 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) mephentermine coronary_artery_disease GAP_HIGH 0.192 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.38) phenobarbital mediastinal_cancer GAP_HIGH 0.192 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) gliquidone peripheral_nervous_system_neoplasm GAP_HIGH 0.192 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.32) latanoprost esophageal_cancer GAP_HIGH 0.192 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) polythiazide hepatitis_b GAP_HIGH 0.192 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.26) amobarbital alcohol_dependence GAP_HIGH 0.192 0.23076923076923078 mazindol High-priority: Binding assay amobarbital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.23) nitisinone mediastinal_cancer GAP_HIGH 0.192 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in mediastinal_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) prochlorperazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1919 0.6666666666666666 cetirizine High-priority: Binding assay prochlorperazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.67) levonordefrin sclerosing_cholangitis GAP_HIGH 0.1919 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in sclerosing_cholangitis cell model. Expected: similar to carbidopa (Jaccard=0.59) estradiol_valeratedienogest muscle_cancer GAP_HIGH 0.1919 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in muscle_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.55) ketazolam creutzfeldt-jakob_disease GAP_HIGH 0.1919 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clozapine (Jaccard=0.53) phenformin azoospermia GAP_HIGH 0.1919 0.5 phentermine High-priority: Binding assay phenformin→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.50) phenobarbital thymus_cancer GAP_HIGH 0.1919 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) aprobarbital gout GAP_HIGH 0.1919 0.3333333333333333 methdilazine High-priority: Binding assay aprobarbital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.33) butethal gout GAP_HIGH 0.1919 0.3333333333333333 methdilazine High-priority: Binding assay butethal→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.33) latanoprost systemic_lupus_erythematosus GAP_HIGH 0.1919 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to alcaftadine (Jaccard=0.33) tauroursodeoxycholic_acid osteoporosis GAP_HIGH 0.1919 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in osteoporosis cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid ovarian_cancer GAP_HIGH 0.1919 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in ovarian_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid uterine_cancer GAP_HIGH 0.1919 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in uterine_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) nitisinone gout GAP_HIGH 0.1919 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in gout cell model. Expected: similar to loteprednol (Jaccard=0.20) mestranol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1918 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) sotalol liver_cancer GAP_HIGH 0.1918 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) methylphenobarbital sclerosing_cholangitis GAP_HIGH 0.1918 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estriol restless_legs_syndrome GAP_HIGH 0.1918 0.375 estrone High-priority: Binding assay estriol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital coronary_artery_disease GAP_HIGH 0.1918 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.38) glimepiride celiac_disease GAP_HIGH 0.1918 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) heptabarbital alcohol_dependence GAP_HIGH 0.1918 0.23684210526315788 mazindol High-priority: Binding assay heptabarbital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.24) nitisinone thymus_cancer GAP_HIGH 0.1918 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in thymus_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) imipramine ankylosing_spondylitis GAP_HIGH 0.1917 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.57) allylestrenol meningioma GAP_HIGH 0.1917 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in meningioma cell model. Expected: similar to norethindrone (Jaccard=0.45) sulpiride uterine_fibroid GAP_HIGH 0.1917 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.43) estriol type_2_diabetes_mellitus GAP_HIGH 0.1917 0.375 estrone High-priority: Binding assay estriol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to estrone (Jaccard=0.38) estriol vitiligo GAP_HIGH 0.1917 0.375 estrone High-priority: Binding assay estriol→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.38) aprobarbital narcolepsy GAP_HIGH 0.1917 0.3333333333333333 chlorpromazine High-priority: Binding assay aprobarbital→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.33) butethal narcolepsy GAP_HIGH 0.1917 0.3333333333333333 chlorpromazine High-priority: Binding assay butethal→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.33) heptabarbital hematologic_cancer GAP_HIGH 0.1917 0.3333333333333333 azelastine High-priority: Binding assay heptabarbital→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.33) latanoprost osteoarthritis GAP_HIGH 0.1917 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in osteoarthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) gliquidone panic_disorder GAP_HIGH 0.1917 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone schizophrenia GAP_HIGH 0.1917 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.32) nitisinone hematologic_cancer GAP_HIGH 0.1917 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in hematologic_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) sotalol urinary_bladder_cancer GAP_HIGH 0.1916 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) heptabarbital skin_cancer GAP_HIGH 0.1916 0.35 methdilazine High-priority: Binding assay heptabarbital→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.35) estriol head_and_neck_cancer GAP_HIGH 0.1916 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) gliquidone asthma GAP_HIGH 0.1916 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone colon_cancer GAP_HIGH 0.1916 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone hypertension GAP_HIGH 0.1916 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.32) emtricitabine polycystic_ovary_syndrome GAP_HIGH 0.1916 0.3076923076923077 lamivudine High-priority: Binding assay emtricitabine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.31) suprofen penile_cancer GAP_HIGH 0.1915 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) levonordefrin ankylosing_spondylitis GAP_HIGH 0.1915 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in ankylosing_spondylitis cell model. Expected: similar to carbidopa (Jaccard=0.59) arformoterol refractive_error GAP_HIGH 0.1915 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in refractive_error cell model. Expected: similar to arbutamine (Jaccard=0.40) estriol rheumatoid_arthritis GAP_HIGH 0.1915 0.375 estrone High-priority: Binding assay estriol→?; validate in rheumatoid_arthritis cell model. Expected: similar to estrone (Jaccard=0.38) gliquidone allergic_rhinitis GAP_HIGH 0.1915 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone stomach_cancer GAP_HIGH 0.1915 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) propofol atherosclerosis GAP_HIGH 0.1915 0.2857142857142857 flurbiprofen High-priority: Binding assay propofol→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.29) tolmetin ankylosing_spondylitis GAP_HIGH 0.1914 0.6363636363636364 agomelatine High-priority: Binding assay tolmetin→?; validate in ankylosing_spondylitis cell model. Expected: similar to agomelatine (Jaccard=0.64) imipramine epilepsy_syndrome GAP_HIGH 0.1914 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in epilepsy_syndrome cell model. Expected: similar to desipramine (Jaccard=0.57) estradiol_valeratedienogest peripheral_nervous_system_neoplasm GAP_HIGH 0.1914 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to fulvestrant (Jaccard=0.55) doxylamine creutzfeldt-jakob_disease GAP_HIGH 0.1914 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) doxylamine sclerosing_cholangitis GAP_HIGH 0.1914 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) phenindione gilles_de_la_tourette_syndrome GAP_HIGH 0.1914 0.47619047619047616 loxapine High-priority: Binding assay phenindione→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.48) tolazoline muscle_cancer GAP_HIGH 0.1914 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in muscle_cancer cell model. Expected: similar to phentermine (Jaccard=0.44) sulpiride restless_legs_syndrome GAP_HIGH 0.1914 0.42857142857142855 bezafibrate High-priority: Binding assay sulpiride→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.43) quinacrine alcohol_dependence GAP_HIGH 0.1914 0.34146341463414637 mazindol High-priority: Binding assay quinacrine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.34) tropicamide gout GAP_HIGH 0.1914 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in gout cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) gliquidone ulcerative_colitis GAP_HIGH 0.1914 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) zuclopenthixol ankylosing_spondylitis GAP_HIGH 0.1913 0.7857142857142857 pirenzepine High-priority: Binding assay zuclopenthixol→?; validate in ankylosing_spondylitis cell model. Expected: similar to pirenzepine (Jaccard=0.79) prochlorperazine hematologic_cancer GAP_HIGH 0.1913 0.6666666666666666 nefazodone High-priority: Binding assay prochlorperazine→?; validate in hematologic_cancer cell model. Expected: similar to nefazodone (Jaccard=0.67) pomalidomide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1913 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.60) methadyl_acetate gout GAP_HIGH 0.1913 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.56) ketazolam coronary_artery_disease GAP_HIGH 0.1913 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in coronary_artery_disease cell model. Expected: similar to chlorpromazine (Jaccard=0.52) ketazolam narcolepsy GAP_HIGH 0.1913 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.52) mepyramine azoospermia GAP_HIGH 0.1913 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in azoospermia cell model. Expected: similar to brompheniramine (Jaccard=0.50) quinacrine hematologic_cancer GAP_HIGH 0.1913 0.45161290322580644 flurbiprofen High-priority: Binding assay quinacrine→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.45) methylphenobarbital ankylosing_spondylitis GAP_HIGH 0.1913 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) adenosine esophageal_cancer GAP_HIGH 0.1913 0.36363636363636365 gemcitabine High-priority: Binding assay adenosine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.36) phenobarbital kidney_cancer GAP_HIGH 0.1913 0.35 quinacrine High-priority: Binding assay phenobarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.35) latanoprost systemic_scleroderma GAP_HIGH 0.1913 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in systemic_scleroderma cell model. Expected: similar to alcaftadine (Jaccard=0.33) gliquidone migraine GAP_HIGH 0.1913 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.32) gliquidone ovarian_cancer GAP_HIGH 0.1913 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) oxyphenonium acquired_immunodeficiency_syndrome GAP_HIGH 0.1913 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.25) tauroursodeoxycholic_acid testicular_cancer GAP_HIGH 0.1913 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in testicular_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid vaginal_cancer GAP_HIGH 0.1913 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in vaginal_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) tauroursodeoxycholic_acid vulva_cancer GAP_HIGH 0.1913 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in vulva_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) heptabarbital leprosy GAP_HIGH 0.1913 0.19047619047619047 phensuximide High-priority: Binding assay heptabarbital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.19) isoprenaline celiac_disease GAP_HIGH 0.1912 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in celiac_disease cell model. Expected: similar to mesalazine (Jaccard=0.67) dasatinib systemic_lupus_erythematosus GAP_HIGH 0.1912 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.53) estropipate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1912 0.4 medroxyprogesterone_acetate High-priority: Binding assay estropipate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.40) phenobarbital parkinsons_disease GAP_HIGH 0.1912 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in parkinsons_disease cell model. Expected: similar to acenocoumarol (Jaccard=0.38) cilazapril epilepsy_syndrome GAP_HIGH 0.1912 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.38) estriol psoriatic_arthritis GAP_HIGH 0.1912 0.375 estrone High-priority: Binding assay estriol→?; validate in psoriatic_arthritis cell model. Expected: similar to estrone (Jaccard=0.38) gliquidone sarcoma GAP_HIGH 0.1912 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.32) tauroursodeoxycholic_acid vascular_cancer GAP_HIGH 0.1912 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in vascular_cancer cell model. Expected: similar to drostanolone (Jaccard=0.24) levonordefrin pancreatitis GAP_HIGH 0.1911 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in pancreatitis cell model. Expected: similar to carbidopa (Jaccard=0.59) estazolam coronary_artery_disease GAP_HIGH 0.1911 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in coronary_artery_disease cell model. Expected: similar to fludiazepam (Jaccard=0.56) sotalol stomach_cancer GAP_HIGH 0.1911 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) disopyramide melanoma GAP_HIGH 0.1911 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.43) methocarbamol vaginal_cancer GAP_HIGH 0.1911 0.4 tamsulosin High-priority: Binding assay methocarbamol→?; validate in vaginal_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.40) ritodrine salivary_gland_cancer GAP_HIGH 0.1911 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in salivary_gland_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.1911 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.38) heptabarbital atherosclerosis GAP_HIGH 0.1911 0.27586206896551724 flurbiprofen High-priority: Binding assay heptabarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.28) tolterodine prostate_cancer GAP_HIGH 0.191 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) fulvestrant kidney_cancer GAP_HIGH 0.191 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in kidney_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) sotalol pancreatic_cancer GAP_HIGH 0.191 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) sotalol ulcerative_colitis GAP_HIGH 0.191 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in ulcerative_colitis cell model. Expected: similar to procarbazine (Jaccard=0.54) fenbufen membranous_glomerulonephritis GAP_HIGH 0.191 0.5 chlorthalidone High-priority: Binding assay fenbufen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.50) fluorometholone kidney_cancer GAP_HIGH 0.191 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) zuclopenthixol pancreatitis GAP_HIGH 0.1909 0.7857142857142857 pirenzepine High-priority: Binding assay zuclopenthixol→?; validate in pancreatitis cell model. Expected: similar to pirenzepine (Jaccard=0.79) orphenadrine alzheimers_disease GAP_HIGH 0.1909 0.6 disopyramide High-priority: Binding assay orphenadrine→?; validate in alzheimers_disease cell model. Expected: similar to disopyramide (Jaccard=0.60) imipramine lung_cancer GAP_HIGH 0.1909 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine rectum_cancer GAP_HIGH 0.1909 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) sotalol uterine_cancer GAP_HIGH 0.1909 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) doxylamine ankylosing_spondylitis GAP_HIGH 0.1909 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) fluorometholone nephrolithiasis GAP_HIGH 0.1909 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.50) methocarbamol vascular_cancer GAP_HIGH 0.1909 0.4 tamsulosin High-priority: Binding assay methocarbamol→?; validate in vascular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.40) methylphenobarbital pancreatitis GAP_HIGH 0.1909 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in pancreatitis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital melanoma GAP_HIGH 0.1909 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.38) latanoprost restless_legs_syndrome GAP_HIGH 0.1909 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in restless_legs_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.33) lubiprostone metabolic_syndrome_x GAP_HIGH 0.1909 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in metabolic_syndrome_x cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) tauroursodeoxycholic_acid uterine_fibroid GAP_HIGH 0.1909 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in uterine_fibroid cell model. Expected: similar to drostanolone (Jaccard=0.24) nitisinone melanoma GAP_HIGH 0.1909 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in melanoma cell model. Expected: similar to loteprednol (Jaccard=0.20) docetaxel prostate_cancer GAP_HIGH 0.1908 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in prostate_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.60) orphenadrine parkinsons_disease GAP_HIGH 0.1908 0.6 disopyramide High-priority: Binding assay orphenadrine→?; validate in parkinsons_disease cell model. Expected: similar to disopyramide (Jaccard=0.60) levonordefrin lung_cancer GAP_HIGH 0.1908 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in lung_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) levonordefrin rectum_cancer GAP_HIGH 0.1908 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in rectum_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) imipramine alzheimers_disease GAP_HIGH 0.1908 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in alzheimers_disease cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine liver_cancer GAP_HIGH 0.1908 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine parkinsons_disease GAP_HIGH 0.1908 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in parkinsons_disease cell model. Expected: similar to desipramine (Jaccard=0.57) tolterodine mediastinal_cancer GAP_HIGH 0.1908 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) furosemide chronic_kidney_failure GAP_HIGH 0.1908 0.5 indapamide High-priority: Binding assay furosemide→?; validate in chronic_kidney_failure cell model. Expected: similar to indapamide (Jaccard=0.50) phenylephrine hypertension GAP_HIGH 0.1908 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in hypertension cell model. Expected: similar to salbutamol (Jaccard=0.50) ritodrine ocular_cancer GAP_HIGH 0.1908 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in ocular_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) cilazapril muscle_cancer GAP_HIGH 0.1908 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.38) heptabarbital vascular_cancer GAP_HIGH 0.1908 0.34782608695652173 chlorpromazine High-priority: Binding assay heptabarbital→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.35) glipizide atherosclerosis GAP_HIGH 0.1908 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.32) suprofen meningioma GAP_HIGH 0.1907 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.64) imipramine amyotrophic_lateral_sclerosis GAP_HIGH 0.1907 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.57) tolterodine thymus_cancer GAP_HIGH 0.1907 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) ketazolam lung_cancer GAP_HIGH 0.1907 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) ketazolam rectum_cancer GAP_HIGH 0.1907 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) doxylamine epilepsy_syndrome GAP_HIGH 0.1907 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in epilepsy_syndrome cell model. Expected: similar to mepenzolate (Jaccard=0.50) fluorometholone celiac_disease GAP_HIGH 0.1907 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.50) estropipate lung_cancer GAP_HIGH 0.1907 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in lung_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate rectum_cancer GAP_HIGH 0.1907 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in rectum_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) ritodrine parkinsons_disease GAP_HIGH 0.1907 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in parkinsons_disease cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital colon_cancer GAP_HIGH 0.1907 0.3888888888888889 methsuximide High-priority: Binding assay methylphenobarbital→?; validate in colon_cancer cell model. Expected: similar to methsuximide (Jaccard=0.39) fludiazepam psoriasis GAP_HIGH 0.1906 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) levonordefrin liver_cancer GAP_HIGH 0.1906 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in liver_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) estradiol_valeratedienogest sarcoma GAP_HIGH 0.1906 0.5454545454545454 fulvestrant High-priority: Binding assay estradiol_valeratedienogest→?; validate in sarcoma cell model. Expected: similar to fulvestrant (Jaccard=0.55) ketazolam liver_cancer GAP_HIGH 0.1906 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) ketazolam parkinsons_disease GAP_HIGH 0.1906 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in parkinsons_disease cell model. Expected: similar to clozapine (Jaccard=0.53) eplerenone kidney_cancer GAP_HIGH 0.1906 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) methocarbamol uterine_fibroid GAP_HIGH 0.1906 0.4 tamsulosin High-priority: Binding assay methocarbamol→?; validate in uterine_fibroid cell model. Expected: similar to tamsulosin (Jaccard=0.40) ritodrine amyotrophic_lateral_sclerosis GAP_HIGH 0.1906 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital lung_cancer GAP_HIGH 0.1906 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital rectum_cancer GAP_HIGH 0.1906 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) latanoprost rheumatoid_arthritis GAP_HIGH 0.1906 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in rheumatoid_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) tauroursodeoxycholic_acid polycystic_ovary_syndrome GAP_HIGH 0.1906 0.23529411764705882 drostanolone High-priority: Binding assay tauroursodeoxycholic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to drostanolone (Jaccard=0.24) tolterodine hematologic_cancer GAP_HIGH 0.1905 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) methamphetamine atherosclerosis GAP_HIGH 0.1905 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.55) dasatinib systemic_scleroderma GAP_HIGH 0.1905 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.53) ketazolam amyotrophic_lateral_sclerosis GAP_HIGH 0.1905 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clozapine (Jaccard=0.53) doxylamine pancreatitis GAP_HIGH 0.1905 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) eplerenone nephrolithiasis GAP_HIGH 0.1905 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.50) estropipate liver_cancer GAP_HIGH 0.1905 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in liver_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) ritodrine peripheral_nervous_system_neoplasm GAP_HIGH 0.1905 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to arbutamine (Jaccard=0.40) phenobarbital hypertension GAP_HIGH 0.1905 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in hypertension cell model. Expected: similar to acenocoumarol (Jaccard=0.38) cilazapril autistic_disorder GAP_HIGH 0.1905 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) cilazapril nicotine_dependence GAP_HIGH 0.1905 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.38) estropipate germ_cell_cancer GAP_HIGH 0.1905 0.375 estrone High-priority: Binding assay estropipate→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital creutzfeldt-jakob_disease GAP_HIGH 0.1905 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenytoin (Jaccard=0.38) quinestrol crohns_disease GAP_HIGH 0.1905 0.3684210526315789 ethinyl_estradiol High-priority: Binding assay quinestrol→?; validate in crohns_disease cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.37) lubiprostone obesity GAP_HIGH 0.1905 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in obesity cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) alpha-linolenic_acid hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking alpha-linolenic_acid vs hypothyroidism targets. Cross-check alpha-linolenic_acid pharmacophore against hypothyroidism pathway. dronedarone hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking dronedarone vs hypothyroidism targets. Cross-check dronedarone pharmacophore against hypothyroidism pathway. l-cystine hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking l-cystine vs hypothyroidism targets. Cross-check l-cystine pharmacophore against hypothyroidism pathway. orlistat hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking orlistat vs hypothyroidism targets. Cross-check orlistat pharmacophore against hypothyroidism pathway. sodium_lauryl_sulfate hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking sodium_lauryl_sulfate vs hypothyroidism targets. Cross-check sodium_lauryl_sulfate pharmacophore against hypothyroidism pathway. succinic_acid hypothyroidism GAP_LOW 0.1905 0.0 methimazole Low-priority: Computational docking succinic_acid vs hypothyroidism targets. Cross-check succinic_acid pharmacophore against hypothyroidism pathway. danazol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1904 0.5714285714285714 medroxyprogesterone_acetate High-priority: Binding assay danazol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.57) fulvestrant alcohol_dependence GAP_HIGH 0.1904 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.46) tolazoline breast_cancer GAP_HIGH 0.1904 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in breast_cancer cell model. Expected: similar to phentermine (Jaccard=0.44) methylphenobarbital ovarian_cancer GAP_HIGH 0.1904 0.3888888888888889 methsuximide High-priority: Binding assay methylphenobarbital→?; validate in ovarian_cancer cell model. Expected: similar to methsuximide (Jaccard=0.39) methylphenobarbital liver_cancer GAP_HIGH 0.1904 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) amobarbital pancreatitis GAP_HIGH 0.1904 0.3333333333333333 methdilazine High-priority: Binding assay amobarbital→?; validate in pancreatitis cell model. Expected: similar to methdilazine (Jaccard=0.33) latanoprost psoriatic_arthritis GAP_HIGH 0.1904 0.3333333333333333 alcaftadine High-priority: Binding assay latanoprost→?; validate in psoriatic_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) quinapril hematologic_cancer GAP_HIGH 0.1904 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril narcolepsy GAP_HIGH 0.1904 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.33) aprobarbital alcohol_dependence GAP_HIGH 0.1904 0.23076923076923078 mazindol High-priority: Binding assay aprobarbital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.23) butethal alcohol_dependence GAP_HIGH 0.1904 0.23076923076923078 mazindol High-priority: Binding assay butethal→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.23) doxepin crohns_disease GAP_HIGH 0.1903 0.75 amitriptyline High-priority: Binding assay doxepin→?; validate in crohns_disease cell model. Expected: similar to amitriptyline (Jaccard=0.75) fludiazepam systemic_lupus_erythematosus GAP_HIGH 0.1903 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) sotalol testicular_cancer GAP_HIGH 0.1903 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) sotalol vaginal_cancer GAP_HIGH 0.1903 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) sotalol vulva_cancer GAP_HIGH 0.1903 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) eplerenone celiac_disease GAP_HIGH 0.1903 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.50) lapatinib kidney_cancer GAP_HIGH 0.1903 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) phenylephrine systemic_lupus_erythematosus GAP_HIGH 0.1903 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to salbutamol (Jaccard=0.50) tolazoline pancreatic_cancer GAP_HIGH 0.1903 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.44) phenobarbital psoriasis GAP_HIGH 0.1903 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in psoriasis cell model. Expected: similar to acenocoumarol (Jaccard=0.38) butabarbital muscle_cancer GAP_HIGH 0.1903 0.3333333333333333 azelastine High-priority: Binding assay butabarbital→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.33) gliquidone uterine_fibroid GAP_HIGH 0.1903 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.32) carboprost_tromethamine metabolic_syndrome_x GAP_HIGH 0.1903 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) amobarbital atherosclerosis GAP_HIGH 0.1903 0.26666666666666666 flurbiprofen High-priority: Binding assay amobarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.27) aprobarbital leprosy GAP_HIGH 0.1903 0.18604651162790697 phensuximide High-priority: Binding assay aprobarbital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.19) butethal leprosy GAP_HIGH 0.1903 0.18604651162790697 phensuximide High-priority: Binding assay butethal→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.19) fludiazepam metabolic_syndrome_x GAP_HIGH 0.1902 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) mestranol psoriasis GAP_HIGH 0.1902 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in psoriasis cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) estazolam nicotine_dependence GAP_HIGH 0.1902 0.5714285714285714 alprazolam High-priority: Binding assay estazolam→?; validate in nicotine_dependence cell model. Expected: similar to alprazolam (Jaccard=0.57) imipramine panic_disorder GAP_HIGH 0.1902 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in panic_disorder cell model. Expected: similar to desipramine (Jaccard=0.57) lapatinib nephrolithiasis GAP_HIGH 0.1902 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in nephrolithiasis cell model. Expected: similar to docetaxel (Jaccard=0.50) phenylephrine metabolic_syndrome_x GAP_HIGH 0.1902 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to salbutamol (Jaccard=0.50) tolazoline psoriasis GAP_HIGH 0.1902 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in psoriasis cell model. Expected: similar to phentermine (Jaccard=0.44) tolazoline ulcerative_colitis GAP_HIGH 0.1902 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.44) methylphenobarbital peripheral_nervous_system_neoplasm GAP_HIGH 0.1902 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril attention_deficit_hyperactivity_disorder GAP_HIGH 0.1902 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) nitisinone pharynx_cancer GAP_HIGH 0.1902 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in pharynx_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) mestranol migraine GAP_HIGH 0.1901 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in migraine cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) imipramine breast_cancer GAP_HIGH 0.1901 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in breast_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine colon_cancer GAP_HIGH 0.1901 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine stomach_cancer GAP_HIGH 0.1901 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) sotalol vascular_cancer GAP_HIGH 0.1901 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.54) tolazoline multiple_sclerosis GAP_HIGH 0.1901 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in multiple_sclerosis cell model. Expected: similar to phentermine (Jaccard=0.44) disopyramide thyroid_cancer GAP_HIGH 0.1901 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) prazepam gout GAP_HIGH 0.1901 0.38461538461538464 diazepam High-priority: Binding assay prazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.38) propofol vascular_cancer GAP_HIGH 0.1901 0.36363636363636365 chlorpromazine High-priority: Binding assay propofol→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.36) pomalidomide atopic_dermatitis GAP_HIGH 0.19 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.60) pomalidomide hypertension GAP_HIGH 0.19 0.6 clenbuterol High-priority: Binding assay pomalidomide→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=0.60) imipramine pancreatic_cancer GAP_HIGH 0.19 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) doxylamine amyotrophic_lateral_sclerosis GAP_HIGH 0.19 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.50) amphetamine pharynx_cancer GAP_HIGH 0.19 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in pharynx_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) estropipate asthma GAP_HIGH 0.19 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in asthma cell model. Expected: similar to etonogestrel (Jaccard=0.40) ritodrine breast_cancer GAP_HIGH 0.19 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in breast_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) cilazapril panic_disorder GAP_HIGH 0.19 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) cilazapril schizophrenia GAP_HIGH 0.19 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.38) phenobarbital thyroid_cancer GAP_HIGH 0.19 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) gliquidone restless_legs_syndrome GAP_HIGH 0.19 0.3181818181818182 bezafibrate High-priority: Binding assay gliquidone→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.32) lubiprostone polycystic_ovary_syndrome GAP_HIGH 0.19 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) lubiprostone type_2_diabetes_mellitus GAP_HIGH 0.19 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) glutethimide leprosy GAP_HIGH 0.19 0.22448979591836735 phensuximide High-priority: Binding assay glutethimide→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.22) nitisinone ankylosing_spondylitis GAP_HIGH 0.19 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in ankylosing_spondylitis cell model. Expected: similar to loteprednol (Jaccard=0.20) levonordefrin stomach_cancer GAP_HIGH 0.1899 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in stomach_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) imipramine endogenous_depression GAP_HIGH 0.1899 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in endogenous_depression cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine ulcerative_colitis GAP_HIGH 0.1899 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.57) estazolam sclerosing_cholangitis GAP_HIGH 0.1899 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.56) ketazolam stomach_cancer GAP_HIGH 0.1899 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) tolazoline systemic_lupus_erythematosus GAP_HIGH 0.1899 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.44) estropipate atopic_dermatitis GAP_HIGH 0.1899 0.4 medroxyprogesterone_acetate High-priority: Binding assay estropipate→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.40) estropipate breast_cancer GAP_HIGH 0.1899 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in breast_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate colon_cancer GAP_HIGH 0.1899 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in colon_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) cilazapril asthma GAP_HIGH 0.1899 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.38) cilazapril conduct_disorder GAP_HIGH 0.1899 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) estropipate penile_cancer GAP_HIGH 0.1899 0.375 estrone High-priority: Binding assay estropipate→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.1899 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.38) antipyrine leprosy GAP_HIGH 0.1899 0.35714285714285715 phensuximide High-priority: Binding assay antipyrine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.36) carboprost_tromethamine obesity GAP_HIGH 0.1899 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in obesity cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) methacholine alopecia_areata GAP_HIGH 0.1899 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in alopecia_areata cell model. Expected: similar to alclometasone (Jaccard=0.20) nitisinone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1899 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loteprednol (Jaccard=0.20) nitisinone thyroid_cancer GAP_HIGH 0.1899 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in thyroid_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) fludiazepam obesity GAP_HIGH 0.1898 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) suprofen mediastinal_cancer GAP_HIGH 0.1898 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) levonordefrin pancreatic_cancer GAP_HIGH 0.1898 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in pancreatic_cancer cell model. Expected: similar to carbidopa (Jaccard=0.59) imipramine multiple_sclerosis GAP_HIGH 0.1898 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in multiple_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine ovarian_cancer GAP_HIGH 0.1898 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine uterine_cancer GAP_HIGH 0.1898 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) levonorgestrel muscle_cancer GAP_HIGH 0.1898 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in muscle_cancer cell model. Expected: similar to norethindrone (Jaccard=0.55) sotalol uterine_fibroid GAP_HIGH 0.1898 0.5384615384615384 procarbazine High-priority: Binding assay sotalol→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=0.54) dasatinib rheumatoid_arthritis GAP_HIGH 0.1898 0.5333333333333333 sunitinib High-priority: Binding assay dasatinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to sunitinib (Jaccard=0.53) ketazolam pancreatic_cancer GAP_HIGH 0.1898 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) phenformin crohns_disease GAP_HIGH 0.1898 0.5 phentermine High-priority: Binding assay phenformin→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.50) phenylephrine obesity GAP_HIGH 0.1898 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in obesity cell model. Expected: similar to salbutamol (Jaccard=0.50) tolazoline metabolic_syndrome_x GAP_HIGH 0.1898 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in metabolic_syndrome_x cell model. Expected: similar to phentermine (Jaccard=0.44) amphetamine thyroid_cancer GAP_HIGH 0.1898 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in thyroid_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) estropipate pancreatic_cancer GAP_HIGH 0.1898 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in pancreatic_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate stomach_cancer GAP_HIGH 0.1898 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in stomach_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) methylphenobarbital hypertension GAP_HIGH 0.1898 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in hypertension cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril allergic_rhinitis GAP_HIGH 0.1898 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.38) cilazapril bipolar_disorder GAP_HIGH 0.1898 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.38) phenobarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.1898 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.33) suprofen thymus_cancer GAP_HIGH 0.1897 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) pomalidomide psoriasis GAP_HIGH 0.1897 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.60) levonordefrin osteoporosis GAP_HIGH 0.1897 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in osteoporosis cell model. Expected: similar to carbidopa (Jaccard=0.59) levonordefrin ulcerative_colitis GAP_HIGH 0.1897 0.5882352941176471 carbidopa High-priority: Binding assay levonordefrin→?; validate in ulcerative_colitis cell model. Expected: similar to carbidopa (Jaccard=0.59) medroxyprogesterone_acetate type_2_diabetes_mellitus GAP_HIGH 0.1897 0.5714285714285714 levonorgestrel High-priority: Binding assay medroxyprogesterone_acetate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to levonorgestrel (Jaccard=0.57) tolterodine melanoma GAP_HIGH 0.1897 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.57) levonorgestrel ocular_cancer GAP_HIGH 0.1897 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in ocular_cancer cell model. Expected: similar to norethindrone (Jaccard=0.55) methyltestosterone alopecia_areata GAP_HIGH 0.1897 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in alopecia_areata cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) tolazoline skin_cancer GAP_HIGH 0.1897 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.44) estropipate ulcerative_colitis GAP_HIGH 0.1897 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in ulcerative_colitis cell model. Expected: similar to etonogestrel (Jaccard=0.40) ritodrine ovarian_cancer GAP_HIGH 0.1897 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in ovarian_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) ritodrine sarcoma GAP_HIGH 0.1897 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in sarcoma cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital stomach_cancer GAP_HIGH 0.1897 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in stomach_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril endogenous_depression GAP_HIGH 0.1897 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.38) mephentermine muscle_cancer GAP_HIGH 0.1897 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in muscle_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) phenobarbital pancreatitis GAP_HIGH 0.1897 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in pancreatitis cell model. Expected: similar to phenytoin (Jaccard=0.38) aprobarbital pancreatitis GAP_HIGH 0.1897 0.3333333333333333 methdilazine High-priority: Binding assay aprobarbital→?; validate in pancreatitis cell model. Expected: similar to methdilazine (Jaccard=0.33) butethal pancreatitis GAP_HIGH 0.1897 0.3333333333333333 methdilazine High-priority: Binding assay butethal→?; validate in pancreatitis cell model. Expected: similar to methdilazine (Jaccard=0.33) probenecid prostate_cancer GAP_HIGH 0.1896 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.58) ketazolam uterine_cancer GAP_HIGH 0.1896 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) phenylephrine systemic_scleroderma GAP_HIGH 0.1896 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in systemic_scleroderma cell model. Expected: similar to salbutamol (Jaccard=0.50) disopyramide muscle_cancer GAP_HIGH 0.1896 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) estropipate osteoporosis GAP_HIGH 0.1896 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in osteoporosis cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate ovarian_cancer GAP_HIGH 0.1896 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in ovarian_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) estropipate uterine_cancer GAP_HIGH 0.1896 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in uterine_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) ribavirin kidney_cancer GAP_HIGH 0.1896 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) methylphenobarbital pancreatic_cancer GAP_HIGH 0.1896 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in pancreatic_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital ulcerative_colitis GAP_HIGH 0.1896 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril migraine GAP_HIGH 0.1896 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.38) amobarbital prostate_cancer GAP_HIGH 0.1896 0.3181818181818182 azelastine High-priority: Binding assay amobarbital→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) nitisinone salivary_gland_cancer GAP_HIGH 0.1896 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in salivary_gland_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) calcium_acetate barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking calcium_acetate vs barretts_esophagus targets. Cross-check calcium_acetate pharmacophore against barretts_esophagus pathway. isradipine barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking isradipine vs barretts_esophagus targets. Cross-check isradipine pharmacophore against barretts_esophagus pathway. lercanidipine barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking lercanidipine vs barretts_esophagus targets. Cross-check lercanidipine pharmacophore against barretts_esophagus pathway. nimodipine barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking nimodipine vs barretts_esophagus targets. Cross-check nimodipine pharmacophore against barretts_esophagus pathway. nisoldipine barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking nisoldipine vs barretts_esophagus targets. Cross-check nisoldipine pharmacophore against barretts_esophagus pathway. papaverine barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking papaverine vs barretts_esophagus targets. Cross-check papaverine pharmacophore against barretts_esophagus pathway. tofisopam barretts_esophagus GAP_LOW 0.1896 0.0 pantoprazole Low-priority: Computational docking tofisopam vs barretts_esophagus targets. Cross-check tofisopam pharmacophore against barretts_esophagus pathway. isoprenaline germ_cell_cancer GAP_HIGH 0.1895 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) prochlorperazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1895 0.6666666666666666 nefazodone High-priority: Binding assay prochlorperazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nefazodone (Jaccard=0.67) docetaxel melanoma GAP_HIGH 0.1895 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in melanoma cell model. Expected: similar to paclitaxel (Jaccard=0.60) methadyl_acetate ankylosing_spondylitis GAP_HIGH 0.1895 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.56) quinacrine prostate_cancer GAP_HIGH 0.1895 0.44 azelastine High-priority: Binding assay quinacrine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) chlorthalidone gout GAP_HIGH 0.1895 0.42857142857142855 phenindione High-priority: Binding assay chlorthalidone→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.43) ribavirin nephrolithiasis GAP_HIGH 0.1895 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.40) methylphenobarbital multiple_sclerosis GAP_HIGH 0.1895 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in multiple_sclerosis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital osteoporosis GAP_HIGH 0.1895 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in osteoporosis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital psoriasis GAP_HIGH 0.1895 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in psoriasis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) cilazapril sarcoma GAP_HIGH 0.1895 0.375 trandolapril High-priority: Binding assay cilazapril→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.38) phenobarbital muscle_cancer GAP_HIGH 0.1895 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) doxapram gilles_de_la_tourette_syndrome GAP_HIGH 0.1895 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.36) heptabarbital muscle_cancer GAP_HIGH 0.1895 0.3333333333333333 azelastine High-priority: Binding assay heptabarbital→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.33) tropicamide ankylosing_spondylitis GAP_HIGH 0.1895 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) lubiprostone psoriatic_arthritis GAP_HIGH 0.1895 0.25 acetyldigitoxin High-priority: Binding assay lubiprostone→?; validate in psoriatic_arthritis cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) tolterodine sclerosing_cholangitis GAP_HIGH 0.1894 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in sclerosing_cholangitis cell model. Expected: similar to reboxetine (Jaccard=0.57) tranylcypromine penile_cancer GAP_HIGH 0.1894 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) doxylamine breast_cancer GAP_HIGH 0.1894 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in breast_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) doxylamine colon_cancer GAP_HIGH 0.1894 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in colon_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) phenformin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1894 0.5 phentermine High-priority: Binding assay phenformin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.50) amphetamine salivary_gland_cancer GAP_HIGH 0.1894 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in salivary_gland_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) methylphenobarbital sarcoma GAP_HIGH 0.1894 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital obesity GAP_HIGH 0.1894 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in obesity cell model. Expected: similar to acenocoumarol (Jaccard=0.38) phenobarbital lung_cancer GAP_HIGH 0.1894 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) glisoxepide crohns_disease GAP_HIGH 0.1894 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.30) solifenacin type_1_diabetes_mellitus GAP_HIGH 0.1894 0.2222222222222222 lisinopril High-priority: Binding assay solifenacin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.22) nitisinone muscle_cancer GAP_HIGH 0.1894 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in muscle_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) pomalidomide metabolic_syndrome_x GAP_HIGH 0.1893 0.6 clenbuterol High-priority: Binding assay pomalidomide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clenbuterol (Jaccard=0.60) imipramine vaginal_cancer GAP_HIGH 0.1893 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in vaginal_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) imipramine vulva_cancer GAP_HIGH 0.1893 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) methadyl_acetate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1893 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) levonorgestrel peripheral_nervous_system_neoplasm GAP_HIGH 0.1893 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to norethindrone (Jaccard=0.55) ketazolam pancreatitis GAP_HIGH 0.1893 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.52) azacitidine malignant_mesothelioma GAP_HIGH 0.1893 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.41) amphetamine muscle_cancer GAP_HIGH 0.1893 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in muscle_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) tofisopam malignant_mesothelioma GAP_HIGH 0.1893 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.38) carboprost_tromethamine polycystic_ovary_syndrome GAP_HIGH 0.1893 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) carboprost_tromethamine type_2_diabetes_mellitus GAP_HIGH 0.1893 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) nitisinone ocular_cancer GAP_HIGH 0.1893 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in ocular_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) fludiazepam type_2_diabetes_mellitus GAP_HIGH 0.1892 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) pomalidomide skin_cancer GAP_HIGH 0.1892 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in skin_cancer cell model. Expected: similar to epinephrine (Jaccard=0.60) mestranol systemic_scleroderma GAP_HIGH 0.1892 0.5789473684210527 ethinyl_estradiol High-priority: Binding assay mestranol→?; validate in systemic_scleroderma cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.58) imipramine testicular_cancer GAP_HIGH 0.1892 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in testicular_cancer cell model. Expected: similar to desipramine (Jaccard=0.57) methadyl_acetate epilepsy_syndrome GAP_HIGH 0.1892 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in epilepsy_syndrome cell model. Expected: similar to benzatropine (Jaccard=0.56) chlorpropamide type_2_diabetes_mellitus GAP_HIGH 0.1892 0.5 gliquidone High-priority: Binding assay chlorpropamide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.50) doxylamine ulcerative_colitis GAP_HIGH 0.1892 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) phenylephrine polycystic_ovary_syndrome GAP_HIGH 0.1892 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salbutamol (Jaccard=0.50) phenylephrine type_2_diabetes_mellitus GAP_HIGH 0.1892 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salbutamol (Jaccard=0.50) salbutamol creutzfeldt-jakob_disease GAP_HIGH 0.1892 0.5 phenylephrine High-priority: Binding assay salbutamol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.50) disopyramide urinary_bladder_cancer GAP_HIGH 0.1892 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.43) methylphenobarbital systemic_lupus_erythematosus GAP_HIGH 0.1892 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital nicotine_dependence GAP_HIGH 0.1892 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in nicotine_dependence cell model. Expected: similar to phenytoin (Jaccard=0.38) loratadine glaucoma GAP_HIGH 0.1892 0.3333333333333333 tafluprost High-priority: Binding assay loratadine→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.33) amobarbital hematologic_cancer GAP_HIGH 0.1892 0.3181818181818182 azelastine High-priority: Binding assay amobarbital→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) linaclotide gestational_diabetes GAP_HIGH 0.1892 0.15384615384615385 zafirlukast High-priority: Binding assay linaclotide→?; validate in gestational_diabetes cell model. Expected: similar to zafirlukast (Jaccard=0.15) fludiazepam vitiligo GAP_HIGH 0.1891 0.7 chlordiazepoxide High-priority: Binding assay fludiazepam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.70) prochlorperazine muscle_cancer GAP_HIGH 0.1891 0.6666666666666666 nefazodone High-priority: Binding assay prochlorperazine→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.67) probenecid coronary_artery_disease GAP_HIGH 0.1891 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in coronary_artery_disease cell model. Expected: similar to chloroprocaine (Jaccard=0.58) danazol atopic_dermatitis GAP_HIGH 0.1891 0.5714285714285714 medroxyprogesterone_acetate High-priority: Binding assay danazol→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.57) ketazolam vaginal_cancer GAP_HIGH 0.1891 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) ketazolam vulva_cancer GAP_HIGH 0.1891 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) doxylamine multiple_sclerosis GAP_HIGH 0.1891 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in multiple_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.50) doxylamine ovarian_cancer GAP_HIGH 0.1891 0.5 mepenzolate High-priority: Binding assay doxylamine→?; validate in ovarian_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) mepyramine crohns_disease GAP_HIGH 0.1891 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in crohns_disease cell model. Expected: similar to brompheniramine (Jaccard=0.50) disopyramide peripheral_nervous_system_neoplasm GAP_HIGH 0.1891 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.43) amphetamine ocular_cancer GAP_HIGH 0.1891 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in ocular_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) phenobarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.1891 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to phenytoin (Jaccard=0.38) diclofenamide glaucoma GAP_HIGH 0.1891 0.3333333333333333 hydrochlorothiazide High-priority: Binding assay diclofenamide→?; validate in glaucoma cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.33) dextrothyroxine hematologic_cancer GAP_HIGH 0.1891 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in hematologic_cancer cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine narcolepsy GAP_HIGH 0.1891 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in narcolepsy cell model. Expected: similar to l-lysine (Jaccard=0.20) tolmetin osteoarthritis GAP_HIGH 0.189 0.6363636363636364 agomelatine High-priority: Binding assay tolmetin→?; validate in osteoarthritis cell model. Expected: similar to agomelatine (Jaccard=0.64) estazolam pancreatitis GAP_HIGH 0.189 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.56) ketazolam testicular_cancer GAP_HIGH 0.189 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.53) phenylephrine rheumatoid_arthritis GAP_HIGH 0.189 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to salbutamol (Jaccard=0.50) estropipate vulva_cancer GAP_HIGH 0.189 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in vulva_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.40) methylphenobarbital osteoarthritis GAP_HIGH 0.189 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in osteoarthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) methylphenobarbital skin_cancer GAP_HIGH 0.189 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in skin_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estropipate meningioma GAP_HIGH 0.189 0.375 estrone High-priority: Binding assay estropipate→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital urinary_bladder_cancer GAP_HIGH 0.189 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) trimethoprim lung_cancer GAP_HIGH 0.189 0.3333333333333333 capecitabine High-priority: Binding assay trimethoprim→?; validate in lung_cancer cell model. Expected: similar to capecitabine (Jaccard=0.33) aprobarbital atherosclerosis GAP_HIGH 0.189 0.26666666666666666 flurbiprofen High-priority: Binding assay aprobarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.27) butethal atherosclerosis GAP_HIGH 0.189 0.26666666666666666 flurbiprofen High-priority: Binding assay butethal→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.27) nitisinone peripheral_nervous_system_neoplasm GAP_HIGH 0.189 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to loteprednol (Jaccard=0.20) isoprenaline penile_cancer GAP_HIGH 0.1889 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) pomalidomide obesity GAP_HIGH 0.1889 0.6 clenbuterol High-priority: Binding assay pomalidomide→?; validate in obesity cell model. Expected: similar to clenbuterol (Jaccard=0.60) tolterodine ankylosing_spondylitis GAP_HIGH 0.1889 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in ankylosing_spondylitis cell model. Expected: similar to reboxetine (Jaccard=0.57) phenformin coronary_artery_disease GAP_HIGH 0.1889 0.5 phentermine High-priority: Binding assay phenformin→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.50) methylphenobarbital testicular_cancer GAP_HIGH 0.1889 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in testicular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital polycystic_ovary_syndrome GAP_HIGH 0.1889 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to acenocoumarol (Jaccard=0.38) phenobarbital type_2_diabetes_mellitus GAP_HIGH 0.1889 0.38461538461538464 acenocoumarol High-priority: Binding assay phenobarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to acenocoumarol (Jaccard=0.38) methsuximide gilles_de_la_tourette_syndrome GAP_HIGH 0.1889 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.36) dextropropoxyphene gout GAP_HIGH 0.1889 0.2857142857142857 desipramine High-priority: Binding assay dextropropoxyphene→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.29) dextropropoxyphene primary_biliary_cirrhosis GAP_HIGH 0.1889 0.2857142857142857 alvimopan High-priority: Binding assay dextropropoxyphene→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.29) imipramine uterine_fibroid GAP_HIGH 0.1888 0.5714285714285714 desipramine High-priority: Binding assay imipramine→?; validate in uterine_fibroid cell model. Expected: similar to desipramine (Jaccard=0.57) tolterodine thyroid_cancer GAP_HIGH 0.1888 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) methyltestosterone dilated_cardiomyopathy GAP_HIGH 0.1888 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) phenmetrazine crohns_disease GAP_HIGH 0.1888 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) l-tryptophan thyroid_cancer GAP_HIGH 0.1888 0.4444444444444444 liothyronine High-priority: Binding assay l-tryptophan→?; validate in thyroid_cancer cell model. Expected: similar to liothyronine (Jaccard=0.44) amphetamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1888 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to vorinostat (Jaccard=0.40) amphetamine urinary_bladder_cancer GAP_HIGH 0.1888 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) methylphenobarbital vascular_cancer GAP_HIGH 0.1888 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital vitiligo GAP_HIGH 0.1888 0.38461538461538464 fenbufen High-priority: Binding assay phenobarbital→?; validate in vitiligo cell model. Expected: similar to fenbufen (Jaccard=0.38) estropipate crohns_disease GAP_HIGH 0.1888 0.375 estrone High-priority: Binding assay estropipate→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.38) mephentermine breast_cancer GAP_HIGH 0.1888 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in breast_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) aprobarbital prostate_cancer GAP_HIGH 0.1888 0.3181818181818182 azelastine High-priority: Binding assay aprobarbital→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) butethal prostate_cancer GAP_HIGH 0.1888 0.3181818181818182 azelastine High-priority: Binding assay butethal→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) glisoxepide primary_biliary_cirrhosis GAP_HIGH 0.1888 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.30) carboprost_tromethamine psoriatic_arthritis GAP_HIGH 0.1888 0.2857142857142857 acetyldigitoxin High-priority: Binding assay carboprost_tromethamine→?; validate in psoriatic_arthritis cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) polythiazide leprosy GAP_HIGH 0.1888 0.1875 sulfamethizole High-priority: Binding assay polythiazide→?; validate in leprosy cell model. Expected: similar to sulfamethizole (Jaccard=0.19) isoprenaline malignant_mesothelioma GAP_HIGH 0.1887 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.67) suprofen melanoma GAP_HIGH 0.1887 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=0.64) phenoxybenzamine narcolepsy GAP_HIGH 0.1887 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in narcolepsy cell model. Expected: similar to benzphetamine (Jaccard=0.58) diethylpropion osteoporosis GAP_HIGH 0.1887 0.5454545454545454 tropicamide High-priority: Binding assay diethylpropion→?; validate in osteoporosis cell model. Expected: similar to tropicamide (Jaccard=0.55) etonogestrel gout GAP_HIGH 0.1887 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in gout cell model. Expected: similar to desogestrel (Jaccard=0.50) phenylephrine psoriatic_arthritis GAP_HIGH 0.1887 0.5 salbutamol High-priority: Binding assay phenylephrine→?; validate in psoriatic_arthritis cell model. Expected: similar to salbutamol (Jaccard=0.50) quinacrine skin_cancer GAP_HIGH 0.1887 0.4583333333333333 methdilazine High-priority: Binding assay quinacrine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.46) allylestrenol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1887 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to norethindrone (Jaccard=0.45) ephedrine atherosclerosis GAP_HIGH 0.1887 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) cilazapril systemic_scleroderma GAP_HIGH 0.1887 0.375 trandolapril High-priority: Binding assay cilazapril→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.38) mephentermine pancreatic_cancer GAP_HIGH 0.1887 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) levonorgestrel psoriasis GAP_HIGH 0.1886 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in psoriasis cell model. Expected: similar to norethindrone (Jaccard=0.55) s-adenosylmethionine acquired_immunodeficiency_syndrome GAP_HIGH 0.1886 0.5428571428571428 adenosine_monophosphate High-priority: Binding assay s-adenosylmethionine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to adenosine_monophosphate (Jaccard=0.54) ketazolam uterine_fibroid GAP_HIGH 0.1886 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.53) ethynodiol kidney_cancer GAP_HIGH 0.1886 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in kidney_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.47) tolazoline rheumatoid_arthritis GAP_HIGH 0.1886 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.44) mephentermine ulcerative_colitis GAP_HIGH 0.1886 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.38) orphenadrine polycystic_ovary_syndrome GAP_HIGH 0.1885 0.6 disopyramide High-priority: Binding assay orphenadrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to disopyramide (Jaccard=0.60) etonogestrel hematologic_cancer GAP_HIGH 0.1885 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in hematologic_cancer cell model. Expected: similar to desogestrel (Jaccard=0.50) ethynodiol nephrolithiasis GAP_HIGH 0.1885 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in nephrolithiasis cell model. Expected: similar to dydrogesterone (Jaccard=0.47) ritodrine restless_legs_syndrome GAP_HIGH 0.1885 0.4 arbutamine High-priority: Binding assay ritodrine→?; validate in restless_legs_syndrome cell model. Expected: similar to arbutamine (Jaccard=0.40) methylphenobarbital uterine_fibroid GAP_HIGH 0.1885 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital stomach_cancer GAP_HIGH 0.1885 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in stomach_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) tofisopam crohns_disease GAP_HIGH 0.1885 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in crohns_disease cell model. Expected: similar to clotrimazole (Jaccard=0.38) amobarbital skin_cancer GAP_HIGH 0.1885 0.3333333333333333 methdilazine High-priority: Binding assay amobarbital→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.33) quinapril epilepsy_syndrome GAP_HIGH 0.1885 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.33) glisoxepide coronary_artery_disease GAP_HIGH 0.1885 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.30) nitisinone atopic_dermatitis GAP_HIGH 0.1885 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in atopic_dermatitis cell model. Expected: similar to loteprednol (Jaccard=0.20) masoprocol systemic_scleroderma GAP_HIGH 0.1884 0.6666666666666666 levonordefrin High-priority: Binding assay masoprocol→?; validate in systemic_scleroderma cell model. Expected: similar to levonordefrin (Jaccard=0.67) estropipate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1884 0.375 estrone High-priority: Binding assay estropipate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital pancreatic_cancer GAP_HIGH 0.1884 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in pancreatic_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) glimepiride crohns_disease GAP_HIGH 0.1884 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) equilin alopecia_areata GAP_HIGH 0.1884 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in alopecia_areata cell model. Expected: similar to spironolactone (Jaccard=0.22) nitisinone allergic_rhinitis GAP_HIGH 0.1884 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in allergic_rhinitis cell model. Expected: similar to loteprednol (Jaccard=0.20) amoxapine chronic_kidney_failure GAP_HIGH 0.1883 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) pomalidomide type_2_diabetes_mellitus GAP_HIGH 0.1883 0.6 clenbuterol High-priority: Binding assay pomalidomide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clenbuterol (Jaccard=0.60) pomalidomide vitiligo GAP_HIGH 0.1883 0.6 epinephrine High-priority: Binding assay pomalidomide→?; validate in vitiligo cell model. Expected: similar to epinephrine (Jaccard=0.60) tolterodine muscle_cancer GAP_HIGH 0.1883 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) ketazolam polycystic_ovary_syndrome GAP_HIGH 0.1883 0.5333333333333333 clozapine High-priority: Binding assay ketazolam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.53) ethynodiol metabolic_syndrome_x GAP_HIGH 0.1883 0.5 eplerenone High-priority: Binding assay ethynodiol→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.50) fluorometholone penile_cancer GAP_HIGH 0.1883 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) ethynodiol celiac_disease GAP_HIGH 0.1883 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in celiac_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.47) allylestrenol muscle_cancer GAP_HIGH 0.1883 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in muscle_cancer cell model. Expected: similar to norethindrone (Jaccard=0.45) tolazoline psoriatic_arthritis GAP_HIGH 0.1883 0.4444444444444444 phentermine High-priority: Binding assay tolazoline→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.44) disopyramide sarcoma GAP_HIGH 0.1883 0.42857142857142855 tamoxifen High-priority: Binding assay disopyramide→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.43) amphetamine stomach_cancer GAP_HIGH 0.1883 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in stomach_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) estropipate polycystic_ovary_syndrome GAP_HIGH 0.1883 0.4 etonogestrel High-priority: Binding assay estropipate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to etonogestrel (Jaccard=0.40) amobarbital vascular_cancer GAP_HIGH 0.1883 0.3333333333333333 chlorpromazine High-priority: Binding assay amobarbital→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.33) aprobarbital hematologic_cancer GAP_HIGH 0.1883 0.3181818181818182 azelastine High-priority: Binding assay aprobarbital→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) butethal hematologic_cancer GAP_HIGH 0.1883 0.3181818181818182 azelastine High-priority: Binding assay butethal→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) epoprostenol coronary_artery_disease GAP_HIGH 0.1883 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in coronary_artery_disease cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) nitisinone psoriasis GAP_HIGH 0.1883 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in psoriasis cell model. Expected: similar to loteprednol (Jaccard=0.20) solifenacin lymphatic_system_cancer GAP_HIGH 0.1883 0.2 aciclovir High-priority: Binding assay solifenacin→?; validate in lymphatic_system_cancer cell model. Expected: similar to aciclovir (Jaccard=0.20) tolterodine lung_cancer GAP_HIGH 0.1882 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in lung_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) benzatropine germ_cell_cancer GAP_HIGH 0.1882 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) mepyramine narcolepsy GAP_HIGH 0.1882 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in narcolepsy cell model. Expected: similar to brompheniramine (Jaccard=0.50) cilazapril vitiligo GAP_HIGH 0.1882 0.375 lisinopril High-priority: Binding assay cilazapril→?; validate in vitiligo cell model. Expected: similar to lisinopril (Jaccard=0.38) mephentermine systemic_lupus_erythematosus GAP_HIGH 0.1882 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.38) phenobarbital sarcoma GAP_HIGH 0.1882 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.38) quinapril muscle_cancer GAP_HIGH 0.1882 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.33) quazepam atherosclerosis GAP_HIGH 0.1882 0.2222222222222222 flurbiprofen High-priority: Binding assay quazepam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.22) isoprenaline meningioma GAP_HIGH 0.1881 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.67) suprofen pharynx_cancer GAP_HIGH 0.1881 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) danazol vascular_cancer GAP_HIGH 0.1881 0.5714285714285714 medroxyprogesterone_acetate High-priority: Binding assay danazol→?; validate in vascular_cancer cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.57) medroxyprogesterone_acetate alopecia_areata GAP_HIGH 0.1881 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in alopecia_areata cell model. Expected: similar to spironolactone (Jaccard=0.50) allylestrenol ocular_cancer GAP_HIGH 0.1881 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in ocular_cancer cell model. Expected: similar to norethindrone (Jaccard=0.45) phenmetrazine gout GAP_HIGH 0.1881 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in gout cell model. Expected: similar to sulfanilamide (Jaccard=0.45) amphetamine uterine_cancer GAP_HIGH 0.1881 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in uterine_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) estropipate gout GAP_HIGH 0.1881 0.375 estrone High-priority: Binding assay estropipate→?; validate in gout cell model. Expected: similar to estrone (Jaccard=0.38) estropipate larynx_cancer GAP_HIGH 0.1881 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) aminoglutethimide prostate_cancer GAP_HIGH 0.1881 0.3125 chloroprocaine High-priority: Binding assay aminoglutethimide→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.31) clenbuterol atherosclerosis GAP_HIGH 0.1881 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) polythiazide focal_segmental_glomerulosclerosis GAP_HIGH 0.1881 0.2608695652173913 tamsulosin High-priority: Binding assay polythiazide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to tamsulosin (Jaccard=0.26) nitisinone sarcoma GAP_HIGH 0.1881 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in sarcoma cell model. Expected: similar to loteprednol (Jaccard=0.20) dobutamine salivary_gland_cancer GAP_HIGH 0.188 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in salivary_gland_cancer cell model. Expected: similar to isoetarine (Jaccard=0.50) eplerenone penile_cancer GAP_HIGH 0.188 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) amphetamine sarcoma GAP_HIGH 0.188 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in sarcoma cell model. Expected: similar to vorinostat (Jaccard=0.40) mephentermine skin_cancer GAP_HIGH 0.188 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) phenobarbital systemic_lupus_erythematosus GAP_HIGH 0.188 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.38) tropicamide breast_cancer GAP_HIGH 0.188 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in breast_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) tropicamide colon_cancer GAP_HIGH 0.188 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in colon_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) tolmetin rheumatoid_arthritis GAP_HIGH 0.1879 0.6363636363636364 agomelatine High-priority: Binding assay tolmetin→?; validate in rheumatoid_arthritis cell model. Expected: similar to agomelatine (Jaccard=0.64) megestrol_acetate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1879 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to prednicarbate (Jaccard=0.62) estazolam asthma GAP_HIGH 0.1879 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in asthma cell model. Expected: similar to fludiazepam (Jaccard=0.56) estazolam atopic_dermatitis GAP_HIGH 0.1879 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in atopic_dermatitis cell model. Expected: similar to fludiazepam (Jaccard=0.56) ethynodiol obesity GAP_HIGH 0.1879 0.5 eplerenone High-priority: Binding assay ethynodiol→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.50) methylphenobarbital rheumatoid_arthritis GAP_HIGH 0.1879 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) estropipate coronary_artery_disease GAP_HIGH 0.1879 0.375 estrone High-priority: Binding assay estropipate→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.38) estropipate hematologic_cancer GAP_HIGH 0.1879 0.375 estrone High-priority: Binding assay estropipate→?; validate in hematologic_cancer cell model. Expected: similar to estrone (Jaccard=0.38) phenobarbital metabolic_syndrome_x GAP_HIGH 0.1879 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenytoin (Jaccard=0.38) flutamide multiple_sclerosis GAP_HIGH 0.1879 0.3333333333333333 nitrofural High-priority: Binding assay flutamide→?; validate in multiple_sclerosis cell model. Expected: similar to nitrofural (Jaccard=0.33) dextrothyroxine creutzfeldt-jakob_disease GAP_HIGH 0.1879 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to liothyronine (Jaccard=0.20) nitisinone systemic_lupus_erythematosus GAP_HIGH 0.1879 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to loteprednol (Jaccard=0.20) metoclopramide prostate_cancer GAP_HIGH 0.1878 0.7936507936507936 procainamide High-priority: Binding assay metoclopramide→?; validate in prostate_cancer cell model. Expected: similar to procainamide (Jaccard=0.79) bepridil sclerosing_cholangitis GAP_HIGH 0.1878 0.6666666666666666 mepenzolate High-priority: Binding assay bepridil→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) suprofen thyroid_cancer GAP_HIGH 0.1878 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) clobazam narcolepsy GAP_HIGH 0.1878 0.5714285714285714 clomipramine High-priority: Binding assay clobazam→?; validate in narcolepsy cell model. Expected: similar to clomipramine (Jaccard=0.57) tolterodine urinary_bladder_cancer GAP_HIGH 0.1878 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) estazolam hypertension GAP_HIGH 0.1878 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in hypertension cell model. Expected: similar to fludiazepam (Jaccard=0.56) methadyl_acetate pancreatic_cancer GAP_HIGH 0.1878 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in pancreatic_cancer cell model. Expected: similar to benzatropine (Jaccard=0.56) allylestrenol peripheral_nervous_system_neoplasm GAP_HIGH 0.1878 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to norethindrone (Jaccard=0.45) azacitidine mediastinal_cancer GAP_HIGH 0.1878 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.41) phenobarbital skin_cancer GAP_HIGH 0.1878 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) tofisopam mediastinal_cancer GAP_HIGH 0.1878 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) aprobarbital skin_cancer GAP_HIGH 0.1878 0.3333333333333333 methdilazine High-priority: Binding assay aprobarbital→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.33) butethal skin_cancer GAP_HIGH 0.1878 0.3333333333333333 methdilazine High-priority: Binding assay butethal→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.33) quinapril autistic_disorder GAP_HIGH 0.1878 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril nicotine_dependence GAP_HIGH 0.1878 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.33) tropicamide ulcerative_colitis GAP_HIGH 0.1878 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in ulcerative_colitis cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) sodium_tetradecyl_sulfate refractive_error GAP_HIGH 0.1878 0.1875 dihomo-gamma-linolenic_acid High-priority: Binding assay sodium_tetradecyl_sulfate→?; validate in refractive_error cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.19) megestrol_acetate mediastinal_cancer GAP_HIGH 0.1877 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) levonorgestrel systemic_scleroderma GAP_HIGH 0.1877 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in systemic_scleroderma cell model. Expected: similar to norethindrone (Jaccard=0.55) lapatinib penile_cancer GAP_HIGH 0.1877 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in penile_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) melatonin epilepsy_syndrome GAP_HIGH 0.1877 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in epilepsy_syndrome cell model. Expected: similar to eletriptan (Jaccard=0.50) azacitidine thymus_cancer GAP_HIGH 0.1877 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.41) methylphenobarbital psoriatic_arthritis GAP_HIGH 0.1877 0.38461538461538464 cyclopentolate High-priority: Binding assay methylphenobarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.38) phenobarbital testicular_cancer GAP_HIGH 0.1877 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in testicular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) tofisopam thymus_cancer GAP_HIGH 0.1877 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) tropicamide ovarian_cancer GAP_HIGH 0.1877 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in ovarian_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) glisoxepide duodenum_cancer GAP_HIGH 0.1877 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide gallbladder_cancer GAP_HIGH 0.1877 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide melanoma GAP_HIGH 0.1877 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.30) latanoprost germ_cell_cancer GAP_HIGH 0.1877 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) glimepiride primary_biliary_cirrhosis GAP_HIGH 0.1877 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.27) methacholine brain_cancer GAP_HIGH 0.1877 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in brain_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) methacholine intracranial_aneurysm GAP_HIGH 0.1877 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in intracranial_aneurysm cell model. Expected: similar to alclometasone (Jaccard=0.20) nitisinone osteoarthritis GAP_HIGH 0.1877 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in osteoarthritis cell model. Expected: similar to loteprednol (Jaccard=0.20) nitisinone skin_cancer GAP_HIGH 0.1877 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in skin_cancer cell model. Expected: similar to loteprednol (Jaccard=0.20) azelastine focal_segmental_glomerulosclerosis GAP_HIGH 0.1876 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to methdilazine (Jaccard=0.67) prochlorperazine systemic_lupus_erythematosus GAP_HIGH 0.1876 0.6666666666666666 cetirizine High-priority: Binding assay prochlorperazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.67) megestrol_acetate thymus_cancer GAP_HIGH 0.1876 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) estazolam osteoporosis GAP_HIGH 0.1876 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in osteoporosis cell model. Expected: similar to fludiazepam (Jaccard=0.56) methadyl_acetate multiple_sclerosis GAP_HIGH 0.1876 0.5555555555555556 benzatropine High-priority: Binding assay methadyl_acetate→?; validate in multiple_sclerosis cell model. Expected: similar to benzatropine (Jaccard=0.56) amphetamine skin_cancer GAP_HIGH 0.1876 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in skin_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) phenobarbital vascular_cancer GAP_HIGH 0.1876 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in vascular_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) tofisopam coronary_artery_disease GAP_HIGH 0.1876 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.38) phenobarbital chronic_kidney_failure GAP_HIGH 0.1876 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.33) quinapril attention_deficit_hyperactivity_disorder GAP_HIGH 0.1876 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.33) trimethoprim systemic_lupus_erythematosus GAP_HIGH 0.1876 0.3333333333333333 capecitabine High-priority: Binding assay trimethoprim→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to capecitabine (Jaccard=0.33) suprofen pancreatitis GAP_HIGH 0.1875 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=0.64) phenoxybenzamine creutzfeldt-jakob_disease GAP_HIGH 0.1875 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to benzphetamine (Jaccard=0.58) tranylcypromine coronary_artery_disease GAP_HIGH 0.1875 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in coronary_artery_disease cell model. Expected: similar to clofibrate (Jaccard=0.56) methyltestosterone brain_cancer GAP_HIGH 0.1875 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in brain_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) methyltestosterone intracranial_aneurysm GAP_HIGH 0.1875 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in intracranial_aneurysm cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) ketazolam metabolic_syndrome_x GAP_HIGH 0.1875 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlorpromazine (Jaccard=0.52) amphetamine vaginal_cancer GAP_HIGH 0.1875 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in vaginal_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) amphetamine vulva_cancer GAP_HIGH 0.1875 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in vulva_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) tofisopam hematologic_cancer GAP_HIGH 0.1875 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) aprobarbital vascular_cancer GAP_HIGH 0.1875 0.3333333333333333 chlorpromazine High-priority: Binding assay aprobarbital→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.33) butethal vascular_cancer GAP_HIGH 0.1875 0.3333333333333333 chlorpromazine High-priority: Binding assay butethal→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.33) glimepiride coronary_artery_disease GAP_HIGH 0.1875 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) prochlorperazine skin_cancer GAP_HIGH 0.1874 0.6666666666666666 cetirizine High-priority: Binding assay prochlorperazine→?; validate in skin_cancer cell model. Expected: similar to cetirizine (Jaccard=0.67) suprofen salivary_gland_cancer GAP_HIGH 0.1874 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) olanzapine panic_disorder GAP_HIGH 0.1874 0.6 ziprasidone High-priority: Binding assay olanzapine→?; validate in panic_disorder cell model. Expected: similar to ziprasidone (Jaccard=0.60) tolterodine colon_cancer GAP_HIGH 0.1874 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in colon_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) benzatropine malignant_mesothelioma GAP_HIGH 0.1874 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.56) dobutamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1874 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to isoetarine (Jaccard=0.50) amphetamine testicular_cancer GAP_HIGH 0.1874 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in testicular_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) phenobarbital systemic_scleroderma GAP_HIGH 0.1874 0.375 phenytoin High-priority: Binding assay phenobarbital→?; validate in systemic_scleroderma cell model. Expected: similar to phenytoin (Jaccard=0.38) doxapram chronic_kidney_failure GAP_HIGH 0.1874 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.36) tropicamide systemic_lupus_erythematosus GAP_HIGH 0.1874 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) bepridil ankylosing_spondylitis GAP_HIGH 0.1873 0.6666666666666666 mepenzolate High-priority: Binding assay bepridil→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) suprofen muscle_cancer GAP_HIGH 0.1873 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) bepridil type_1_diabetes_mellitus GAP_HIGH 0.1873 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.62) tolterodine stomach_cancer GAP_HIGH 0.1873 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in stomach_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) fulvestrant crohns_disease GAP_HIGH 0.1873 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in crohns_disease cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) fluorometholone crohns_disease GAP_HIGH 0.1873 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.50) alprazolam duodenum_cancer GAP_HIGH 0.1873 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) alprazolam gallbladder_cancer GAP_HIGH 0.1873 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) amphetamine vascular_cancer GAP_HIGH 0.1873 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in vascular_cancer cell model. Expected: similar to vorinostat (Jaccard=0.40) quinapril asthma GAP_HIGH 0.1873 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril conduct_disorder GAP_HIGH 0.1873 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril panic_disorder GAP_HIGH 0.1873 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril schizophrenia GAP_HIGH 0.1873 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.33) tropicamide metabolic_syndrome_x GAP_HIGH 0.1873 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) glisoxepide sclerosing_cholangitis GAP_HIGH 0.1873 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.30) nitisinone systemic_scleroderma GAP_HIGH 0.1873 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in systemic_scleroderma cell model. Expected: similar to loteprednol (Jaccard=0.20) isoprenaline mediastinal_cancer GAP_HIGH 0.1872 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) suprofen ocular_cancer GAP_HIGH 0.1872 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen rectum_cancer GAP_HIGH 0.1872 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) chloroprocaine azoospermia GAP_HIGH 0.1872 0.5789473684210527 procaine High-priority: Binding assay chloroprocaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.58) tolterodine ulcerative_colitis GAP_HIGH 0.1872 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in ulcerative_colitis cell model. Expected: similar to reboxetine (Jaccard=0.57) levonorgestrel vitiligo GAP_HIGH 0.1872 0.5454545454545454 norethindrone High-priority: Binding assay levonorgestrel→?; validate in vitiligo cell model. Expected: similar to norethindrone (Jaccard=0.55) estriol mediastinal_cancer GAP_HIGH 0.1872 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) quinapril allergic_rhinitis GAP_HIGH 0.1872 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.33) tropicamide skin_cancer GAP_HIGH 0.1872 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in skin_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) nelarabine esophageal_cancer GAP_HIGH 0.1872 0.25 gemcitabine High-priority: Binding assay nelarabine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) dextrothyroxine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1872 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine epilepsy_syndrome GAP_HIGH 0.1872 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in epilepsy_syndrome cell model. Expected: similar to liothyronine (Jaccard=0.20) isoprenaline gout GAP_HIGH 0.1871 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in gout cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline primary_biliary_cirrhosis GAP_HIGH 0.1871 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline thymus_cancer GAP_HIGH 0.1871 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) docetaxel stomach_cancer GAP_HIGH 0.1871 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in stomach_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.60) tolterodine multiple_sclerosis GAP_HIGH 0.1871 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in multiple_sclerosis cell model. Expected: similar to reboxetine (Jaccard=0.57) tolterodine ovarian_cancer GAP_HIGH 0.1871 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in ovarian_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) diethylpropion rheumatoid_arthritis GAP_HIGH 0.1871 0.5454545454545454 tropicamide High-priority: Binding assay diethylpropion→?; validate in rheumatoid_arthritis cell model. Expected: similar to tropicamide (Jaccard=0.55) ketazolam obesity GAP_HIGH 0.1871 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in obesity cell model. Expected: similar to chlorpromazine (Jaccard=0.52) ketazolam vascular_cancer GAP_HIGH 0.1871 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.52) dimetindene crohns_disease GAP_HIGH 0.1871 0.5 bromodiphenhydramine High-priority: Binding assay dimetindene→?; validate in crohns_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.50) melatonin alzheimers_disease GAP_HIGH 0.1871 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in alzheimers_disease cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin parkinsons_disease GAP_HIGH 0.1871 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in parkinsons_disease cell model. Expected: similar to eletriptan (Jaccard=0.50) mepyramine creutzfeldt-jakob_disease GAP_HIGH 0.1871 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to brompheniramine (Jaccard=0.50) melphalan celiac_disease GAP_HIGH 0.1871 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.47) l-tryptophan osteoporosis GAP_HIGH 0.1871 0.4444444444444444 liothyronine High-priority: Binding assay l-tryptophan→?; validate in osteoporosis cell model. Expected: similar to liothyronine (Jaccard=0.44) estropipate melanoma GAP_HIGH 0.1871 0.375 estrone High-priority: Binding assay estropipate→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.38) adenosine germ_cell_cancer GAP_HIGH 0.1871 0.36363636363636365 gemcitabine High-priority: Binding assay adenosine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.36) estriol thymus_cancer GAP_HIGH 0.1871 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) quinapril bipolar_disorder GAP_HIGH 0.1871 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.33) talbutal larynx_cancer GAP_HIGH 0.1871 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in larynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) amphetamine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking amphetamine vs barretts_esophagus targets. Cross-check amphetamine pharmacophore against barretts_esophagus pathway. clofibrate barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking clofibrate vs barretts_esophagus targets. Cross-check clofibrate pharmacophore against barretts_esophagus pathway. l-arginine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-arginine vs barretts_esophagus targets. Cross-check l-arginine pharmacophore against barretts_esophagus pathway. l-asparagine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-asparagine vs barretts_esophagus targets. Cross-check l-asparagine pharmacophore against barretts_esophagus pathway. l-aspartic_acid barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-aspartic_acid vs barretts_esophagus targets. Cross-check l-aspartic_acid pharmacophore against barretts_esophagus pathway. l-carnitine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-carnitine vs barretts_esophagus targets. Cross-check l-carnitine pharmacophore against barretts_esophagus pathway. l-citrulline barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-citrulline vs barretts_esophagus targets. Cross-check l-citrulline pharmacophore against barretts_esophagus pathway. l-cysteine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-cysteine vs barretts_esophagus targets. Cross-check l-cysteine pharmacophore against barretts_esophagus pathway. l-methionine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-methionine vs barretts_esophagus targets. Cross-check l-methionine pharmacophore against barretts_esophagus pathway. l-ornithine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking l-ornithine vs barretts_esophagus targets. Cross-check l-ornithine pharmacophore against barretts_esophagus pathway. linaclotide barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking linaclotide vs barretts_esophagus targets. Cross-check linaclotide pharmacophore against barretts_esophagus pathway. pyrimethamine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking pyrimethamine vs barretts_esophagus targets. Cross-check pyrimethamine pharmacophore against barretts_esophagus pathway. quinacrine barretts_esophagus GAP_LOW 0.1871 0.0 pantoprazole Low-priority: Computational docking quinacrine vs barretts_esophagus targets. Cross-check quinacrine pharmacophore against barretts_esophagus pathway. prochlorperazine systemic_scleroderma GAP_HIGH 0.187 0.6666666666666666 cetirizine High-priority: Binding assay prochlorperazine→?; validate in systemic_scleroderma cell model. Expected: similar to cetirizine (Jaccard=0.67) suprofen liver_cancer GAP_HIGH 0.187 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) docetaxel pancreatic_cancer GAP_HIGH 0.187 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in pancreatic_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.60) tolterodine sarcoma GAP_HIGH 0.187 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.57) melatonin autistic_disorder GAP_HIGH 0.187 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in autistic_disorder cell model. Expected: similar to eletriptan (Jaccard=0.50) orciprenaline narcolepsy GAP_HIGH 0.187 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.45) amphetamine uterine_fibroid GAP_HIGH 0.187 0.4 vorinostat High-priority: Binding assay amphetamine→?; validate in uterine_fibroid cell model. Expected: similar to vorinostat (Jaccard=0.40) arformoterol hematologic_cancer GAP_HIGH 0.187 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in hematologic_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) ribavirin penile_cancer GAP_HIGH 0.187 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) quinapril endogenous_depression GAP_HIGH 0.187 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.33) trimethoprim systemic_scleroderma GAP_HIGH 0.187 0.3333333333333333 capecitabine High-priority: Binding assay trimethoprim→?; validate in systemic_scleroderma cell model. Expected: similar to capecitabine (Jaccard=0.33) isoprenaline coronary_artery_disease GAP_HIGH 0.1869 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in coronary_artery_disease cell model. Expected: similar to mesalazine (Jaccard=0.67) oxazepam gout GAP_HIGH 0.1869 0.5833333333333334 diazepam High-priority: Binding assay oxazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.58) phenoxybenzamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1869 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to benzphetamine (Jaccard=0.58) fulvestrant idiopathic_pulmonary_fibrosis GAP_HIGH 0.1869 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) eplerenone crohns_disease GAP_HIGH 0.1869 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.50) mephentermine rheumatoid_arthritis GAP_HIGH 0.1869 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) irbesartan type_2_diabetes_mellitus GAP_HIGH 0.1869 0.3333333333333333 hydralazine High-priority: Binding assay irbesartan→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to hydralazine (Jaccard=0.33) quinapril migraine GAP_HIGH 0.1869 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.33) quinapril sarcoma GAP_HIGH 0.1869 0.3333333333333333 trandolapril High-priority: Binding assay quinapril→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.33) tropicamide obesity GAP_HIGH 0.1869 0.3333333333333333 oxcarbazepine High-priority: Binding assay tropicamide→?; validate in obesity cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) amobarbital muscle_cancer GAP_HIGH 0.1869 0.3181818181818182 azelastine High-priority: Binding assay amobarbital→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) glisoxepide ankylosing_spondylitis GAP_HIGH 0.1869 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.30) latanoprost malignant_mesothelioma GAP_HIGH 0.1869 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.30) suprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.1868 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen urinary_bladder_cancer GAP_HIGH 0.1868 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) tolterodine systemic_lupus_erythematosus GAP_HIGH 0.1868 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to reboxetine (Jaccard=0.57) diethylpropion psoriatic_arthritis GAP_HIGH 0.1868 0.5454545454545454 tropicamide High-priority: Binding assay diethylpropion→?; validate in psoriatic_arthritis cell model. Expected: similar to tropicamide (Jaccard=0.55) etonogestrel ankylosing_spondylitis GAP_HIGH 0.1868 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in ankylosing_spondylitis cell model. Expected: similar to desogestrel (Jaccard=0.50) furosemide gout GAP_HIGH 0.1868 0.5 indapamide High-priority: Binding assay furosemide→?; validate in gout cell model. Expected: similar to indapamide (Jaccard=0.50) lapatinib meningioma GAP_HIGH 0.1868 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in meningioma cell model. Expected: similar to docetaxel (Jaccard=0.50) melatonin attention_deficit_hyperactivity_disorder GAP_HIGH 0.1868 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to eletriptan (Jaccard=0.50) quinacrine muscle_cancer GAP_HIGH 0.1868 0.44 azelastine High-priority: Binding assay quinacrine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) ribavirin malignant_mesothelioma GAP_HIGH 0.1868 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.40) dextropropoxyphene chronic_obstructive_pulmonary_disease GAP_HIGH 0.1868 0.2857142857142857 orphenadrine High-priority: Binding assay dextropropoxyphene→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to orphenadrine (Jaccard=0.29) quazepam narcolepsy GAP_HIGH 0.1868 0.2631578947368421 chlordiazepoxide High-priority: Binding assay quazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) methacholine head_and_neck_cancer GAP_HIGH 0.1868 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in head_and_neck_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) methacholine malignant_glioma GAP_HIGH 0.1868 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in malignant_glioma cell model. Expected: similar to alclometasone (Jaccard=0.20) nitisinone vitiligo GAP_HIGH 0.1868 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in vitiligo cell model. Expected: similar to loteprednol (Jaccard=0.20) fosphenytoin malignant_mesothelioma GAP_HIGH 0.1867 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.58) estazolam systemic_scleroderma GAP_HIGH 0.1867 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in systemic_scleroderma cell model. Expected: similar to fludiazepam (Jaccard=0.56) tranylcypromine melanoma GAP_HIGH 0.1867 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.56) methyltestosterone head_and_neck_cancer GAP_HIGH 0.1867 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) methyltestosterone malignant_glioma GAP_HIGH 0.1867 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in malignant_glioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) vidarabine malignant_mesothelioma GAP_HIGH 0.1867 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.47) phenmetrazine sclerosing_cholangitis GAP_HIGH 0.1867 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) azacitidine melanoma GAP_HIGH 0.1867 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.41) estropipate sclerosing_cholangitis GAP_HIGH 0.1867 0.375 estrone High-priority: Binding assay estropipate→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.38) mephentermine psoriatic_arthritis GAP_HIGH 0.1867 0.375 phentermine High-priority: Binding assay mephentermine→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) tofisopam melanoma GAP_HIGH 0.1867 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.38) flavin_adenine_dinucleotide acquired_immunodeficiency_syndrome GAP_HIGH 0.1867 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to entecavir (Jaccard=0.33) glimepiride melanoma GAP_HIGH 0.1867 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.27) oxyphenonium atherosclerosis GAP_HIGH 0.1867 0.25 clofibrate High-priority: Binding assay oxyphenonium→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.25) megestrol_acetate melanoma GAP_HIGH 0.1866 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in melanoma cell model. Expected: similar to prednicarbate (Jaccard=0.62) docetaxel systemic_lupus_erythematosus GAP_HIGH 0.1866 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to paclitaxel (Jaccard=0.60) tolterodine skin_cancer GAP_HIGH 0.1866 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in skin_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) fulvestrant gout GAP_HIGH 0.1866 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in gout cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) fluorometholone primary_biliary_cirrhosis GAP_HIGH 0.1866 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.50) mepyramine ankylosing_spondylitis GAP_HIGH 0.1866 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in ankylosing_spondylitis cell model. Expected: similar to brompheniramine (Jaccard=0.50) phenformin muscle_cancer GAP_HIGH 0.1866 0.5 phentermine High-priority: Binding assay phenformin→?; validate in muscle_cancer cell model. Expected: similar to phentermine (Jaccard=0.50) glimepiride duodenum_cancer GAP_HIGH 0.1866 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride gallbladder_cancer GAP_HIGH 0.1866 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) dextrothyroxine alzheimers_disease GAP_HIGH 0.1866 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in alzheimers_disease cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine parkinsons_disease GAP_HIGH 0.1866 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in parkinsons_disease cell model. Expected: similar to liothyronine (Jaccard=0.20) nitisinone rheumatoid_arthritis GAP_HIGH 0.1866 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in rheumatoid_arthritis cell model. Expected: similar to loteprednol (Jaccard=0.20) crizotinib nephrolithiasis GAP_HIGH 0.1865 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in nephrolithiasis cell model. Expected: similar to sunitinib (Jaccard=0.57) tolterodine testicular_cancer GAP_HIGH 0.1865 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in testicular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) ketazolam type_2_diabetes_mellitus GAP_HIGH 0.1865 0.5238095238095238 chlorpromazine High-priority: Binding assay ketazolam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlorpromazine (Jaccard=0.52) dobutamine sarcoma GAP_HIGH 0.1865 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in sarcoma cell model. Expected: similar to isoetarine (Jaccard=0.50) melatonin asthma GAP_HIGH 0.1865 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in asthma cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin panic_disorder GAP_HIGH 0.1865 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in panic_disorder cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin schizophrenia GAP_HIGH 0.1865 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in schizophrenia cell model. Expected: similar to eletriptan (Jaccard=0.50) procarbazine atherosclerosis GAP_HIGH 0.1865 0.4375 naproxen High-priority: Binding assay procarbazine→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.44) prazepam ulcerative_colitis GAP_HIGH 0.1865 0.38461538461538464 diazepam High-priority: Binding assay prazepam→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.38) mephentermine type_1_diabetes_mellitus GAP_HIGH 0.1865 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.33) glisoxepide pancreatitis GAP_HIGH 0.1865 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.30) propofol alcohol_dependence GAP_HIGH 0.1865 0.21052631578947367 mazindol High-priority: Binding assay propofol→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.21) dextrothyroxine amyotrophic_lateral_sclerosis GAP_HIGH 0.1865 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine autistic_disorder GAP_HIGH 0.1865 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in autistic_disorder cell model. Expected: similar to l-lysine (Jaccard=0.20) dextrothyroxine nicotine_dependence GAP_HIGH 0.1865 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in nicotine_dependence cell model. Expected: similar to l-lysine (Jaccard=0.20) docetaxel skin_cancer GAP_HIGH 0.1864 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in skin_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.60) tolterodine vascular_cancer GAP_HIGH 0.1864 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in vascular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.57) fulvestrant hematologic_cancer GAP_HIGH 0.1864 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in hematologic_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) dobutamine systemic_lupus_erythematosus GAP_HIGH 0.1864 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoetarine (Jaccard=0.50) fluorometholone coronary_artery_disease GAP_HIGH 0.1864 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.50) melatonin atopic_dermatitis GAP_HIGH 0.1864 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in atopic_dermatitis cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin breast_cancer GAP_HIGH 0.1864 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in breast_cancer cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin colon_cancer GAP_HIGH 0.1864 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in colon_cancer cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin hypertension GAP_HIGH 0.1864 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in hypertension cell model. Expected: similar to eletriptan (Jaccard=0.50) mepyramine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1864 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to brompheniramine (Jaccard=0.50) mepyramine epilepsy_syndrome GAP_HIGH 0.1864 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in epilepsy_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.50) prazepam psoriasis GAP_HIGH 0.1864 0.38461538461538464 diazepam High-priority: Binding assay prazepam→?; validate in psoriasis cell model. Expected: similar to diazepam (Jaccard=0.38) tofisopam creutzfeldt-jakob_disease GAP_HIGH 0.1864 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clotrimazole (Jaccard=0.38) tropicamide glaucoma GAP_HIGH 0.1864 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) dinoprost_tromethamine hypertension GAP_HIGH 0.1864 0.25 trimetrexate High-priority: Binding assay dinoprost_tromethamine→?; validate in hypertension cell model. Expected: similar to trimetrexate (Jaccard=0.25) nitisinone psoriatic_arthritis GAP_HIGH 0.1864 0.2 loteprednol High-priority: Binding assay nitisinone→?; validate in psoriatic_arthritis cell model. Expected: similar to loteprednol (Jaccard=0.20) dextrothyroxine leprosy GAP_LOW 0.1864 0.1 menadione Low-priority: Computational docking dextrothyroxine vs leprosy targets. Cross-check dextrothyroxine pharmacophore against leprosy pathway. procainamide restless_legs_syndrome GAP_HIGH 0.1863 0.7936507936507936 metoclopramide High-priority: Binding assay procainamide→?; validate in restless_legs_syndrome cell model. Expected: similar to metoclopramide (Jaccard=0.79) suprofen stomach_cancer GAP_HIGH 0.1863 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) amoxapine focal_segmental_glomerulosclerosis GAP_HIGH 0.1863 0.6 chlorprothixene High-priority: Binding assay amoxapine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.60) melatonin allergic_rhinitis GAP_HIGH 0.1863 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in allergic_rhinitis cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin bipolar_disorder GAP_HIGH 0.1863 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in bipolar_disorder cell model. Expected: similar to eletriptan (Jaccard=0.50) phenindione focal_segmental_glomerulosclerosis GAP_HIGH 0.1863 0.45454545454545453 clomipramine High-priority: Binding assay phenindione→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.45) phenmetrazine ankylosing_spondylitis GAP_HIGH 0.1863 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) trimethoprim rheumatoid_arthritis GAP_HIGH 0.1863 0.3333333333333333 capecitabine High-priority: Binding assay trimethoprim→?; validate in rheumatoid_arthritis cell model. Expected: similar to capecitabine (Jaccard=0.33) glimepiride sclerosing_cholangitis GAP_HIGH 0.1863 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) polythiazide atherosclerosis GAP_HIGH 0.1863 0.23809523809523808 phenelzine High-priority: Binding assay polythiazide→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.24) dextrothyroxine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1863 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-lysine (Jaccard=0.20) doxepin atopic_dermatitis GAP_HIGH 0.1862 0.75 amitriptyline High-priority: Binding assay doxepin→?; validate in atopic_dermatitis cell model. Expected: similar to amitriptyline (Jaccard=0.75) suprofen pancreatic_cancer GAP_HIGH 0.1862 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in pancreatic_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) phenoxybenzamine parkinsons_disease GAP_HIGH 0.1862 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in parkinsons_disease cell model. Expected: similar to benzphetamine (Jaccard=0.58) tolterodine systemic_scleroderma GAP_HIGH 0.1862 0.5714285714285714 reboxetine High-priority: Binding assay tolterodine→?; validate in systemic_scleroderma cell model. Expected: similar to reboxetine (Jaccard=0.57) dobutamine skin_cancer GAP_HIGH 0.1862 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in skin_cancer cell model. Expected: similar to isoetarine (Jaccard=0.50) eplerenone primary_biliary_cirrhosis GAP_HIGH 0.1862 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.50) melatonin endogenous_depression GAP_HIGH 0.1862 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in endogenous_depression cell model. Expected: similar to eletriptan (Jaccard=0.50) mepyramine pancreatitis GAP_HIGH 0.1862 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in pancreatitis cell model. Expected: similar to brompheniramine (Jaccard=0.50) terbutaline pharynx_cancer GAP_HIGH 0.1862 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) ribavirin meningioma GAP_HIGH 0.1862 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate ankylosing_spondylitis GAP_HIGH 0.1862 0.375 estrone High-priority: Binding assay estropipate→?; validate in ankylosing_spondylitis cell model. Expected: similar to estrone (Jaccard=0.38) quinestrol migraine GAP_HIGH 0.1862 0.3684210526315789 ethinyl_estradiol High-priority: Binding assay quinestrol→?; validate in migraine cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.37) phenobarbital membranous_glomerulonephritis GAP_HIGH 0.1862 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.33) remifentanil chronic_kidney_failure GAP_HIGH 0.1862 0.3333333333333333 brompheniramine High-priority: Binding assay remifentanil→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.33) glisoxepide lung_cancer GAP_HIGH 0.1862 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide rectum_cancer GAP_HIGH 0.1862 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) doxycycline hypothyroidism GAP_LOW 0.1862 0.0 methimazole Low-priority: Computational docking doxycycline vs hypothyroidism targets. Cross-check doxycycline pharmacophore against hypothyroidism pathway. propofol hypothyroidism GAP_LOW 0.1862 0.0 methimazole Low-priority: Computational docking propofol vs hypothyroidism targets. Cross-check propofol pharmacophore against hypothyroidism pathway. isoprenaline duodenum_cancer GAP_HIGH 0.1861 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in duodenum_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline gallbladder_cancer GAP_HIGH 0.1861 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in gallbladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline melanoma GAP_HIGH 0.1861 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in melanoma cell model. Expected: similar to mesalazine (Jaccard=0.67) suprofen ovarian_cancer GAP_HIGH 0.1861 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen uterine_cancer GAP_HIGH 0.1861 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) phenoxybenzamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1861 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to benzphetamine (Jaccard=0.58) melatonin multiple_sclerosis GAP_HIGH 0.1861 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in multiple_sclerosis cell model. Expected: similar to eletriptan (Jaccard=0.50) melatonin ovarian_cancer GAP_HIGH 0.1861 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in ovarian_cancer cell model. Expected: similar to eletriptan (Jaccard=0.50) prazepam systemic_lupus_erythematosus GAP_HIGH 0.1861 0.38461538461538464 diazepam High-priority: Binding assay prazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diazepam (Jaccard=0.38) estropipate thyroid_cancer GAP_HIGH 0.1861 0.375 estrone High-priority: Binding assay estropipate→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.38) aprobarbital muscle_cancer GAP_HIGH 0.1861 0.3181818181818182 azelastine High-priority: Binding assay aprobarbital→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) butethal muscle_cancer GAP_HIGH 0.1861 0.3181818181818182 azelastine High-priority: Binding assay butethal→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) dinoprost_tromethamine migraine GAP_HIGH 0.1861 0.25 trimetrexate High-priority: Binding assay dinoprost_tromethamine→?; validate in migraine cell model. Expected: similar to trimetrexate (Jaccard=0.25) equilin brain_cancer GAP_HIGH 0.1861 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in brain_cancer cell model. Expected: similar to spironolactone (Jaccard=0.22) equilin intracranial_aneurysm GAP_HIGH 0.1861 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in intracranial_aneurysm cell model. Expected: similar to spironolactone (Jaccard=0.22) thiamylal alcohol_dependence GAP_HIGH 0.1861 0.17647058823529413 ethylmorphine High-priority: Binding assay thiamylal→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.18) suprofen sarcoma GAP_HIGH 0.186 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in sarcoma cell model. Expected: similar to procarbazine (Jaccard=0.64) dextroamphetamine crohns_disease GAP_HIGH 0.186 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.55) eplerenone coronary_artery_disease GAP_HIGH 0.186 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.50) terbutaline thyroid_cancer GAP_HIGH 0.186 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) ethynodiol penile_cancer GAP_HIGH 0.186 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in penile_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.47) losartan hypertension GAP_HIGH 0.186 0.4 rescinnamine High-priority: Binding assay losartan→?; validate in hypertension cell model. Expected: similar to rescinnamine (Jaccard=0.40) clotiazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.186 0.375 fludiazepam High-priority: Binding assay clotiazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.38) quinapril systemic_scleroderma GAP_HIGH 0.186 0.3333333333333333 trandolapril High-priority: Binding assay quinapril→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.33) glisoxepide liver_cancer GAP_HIGH 0.186 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) latanoprost crohns_disease GAP_HIGH 0.186 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.30) oxyphenonium malaria GAP_HIGH 0.186 0.25 tranylcypromine High-priority: Binding assay oxyphenonium→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.25) dextrothyroxine panic_disorder GAP_HIGH 0.186 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in panic_disorder cell model. Expected: similar to l-lysine (Jaccard=0.20) dextrothyroxine schizophrenia GAP_HIGH 0.186 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in schizophrenia cell model. Expected: similar to l-lysine (Jaccard=0.20) megestrol_acetate pharynx_cancer GAP_HIGH 0.1859 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in pharynx_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) docetaxel systemic_scleroderma GAP_HIGH 0.1859 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in systemic_scleroderma cell model. Expected: similar to paclitaxel (Jaccard=0.60) benzatropine mediastinal_cancer GAP_HIGH 0.1859 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) medroxyprogesterone_acetate brain_cancer GAP_HIGH 0.1859 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in brain_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) medroxyprogesterone_acetate intracranial_aneurysm GAP_HIGH 0.1859 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in intracranial_aneurysm cell model. Expected: similar to spironolactone (Jaccard=0.50) nilotinib polycystic_ovary_syndrome GAP_HIGH 0.1859 0.5 crizotinib High-priority: Binding assay nilotinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to crizotinib (Jaccard=0.50) dextrothyroxine asthma GAP_HIGH 0.1859 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in asthma cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine atopic_dermatitis GAP_HIGH 0.1859 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in atopic_dermatitis cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine breast_cancer GAP_HIGH 0.1859 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in breast_cancer cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine colon_cancer GAP_HIGH 0.1859 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in colon_cancer cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine conduct_disorder GAP_HIGH 0.1859 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in conduct_disorder cell model. Expected: similar to l-lysine (Jaccard=0.20) dextrothyroxine hypertension GAP_HIGH 0.1859 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in hypertension cell model. Expected: similar to l-lysine (Jaccard=0.20) bepridil hypertension GAP_HIGH 0.1858 0.6666666666666666 antazoline High-priority: Binding assay bepridil→?; validate in hypertension cell model. Expected: similar to antazoline (Jaccard=0.67) amoxapine duodenum_cancer GAP_HIGH 0.1858 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in duodenum_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine gallbladder_cancer GAP_HIGH 0.1858 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in gallbladder_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) benzatropine thymus_cancer GAP_HIGH 0.1858 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) mepyramine alzheimers_disease GAP_HIGH 0.1858 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in alzheimers_disease cell model. Expected: similar to brompheniramine (Jaccard=0.50) alprazolam lung_cancer GAP_HIGH 0.1858 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) alprazolam rectum_cancer GAP_HIGH 0.1858 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) tofisopam thyroid_cancer GAP_HIGH 0.1858 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) prazepam narcolepsy GAP_HIGH 0.1858 0.3684210526315789 chlordiazepoxide High-priority: Binding assay prazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.37) clofibrate prostate_cancer GAP_HIGH 0.1858 0.35714285714285715 chloroprocaine High-priority: Binding assay clofibrate→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.36) glisoxepide peripheral_nervous_system_neoplasm GAP_HIGH 0.1858 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.30) glimepiride ankylosing_spondylitis GAP_HIGH 0.1858 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) dextrothyroxine allergic_rhinitis GAP_HIGH 0.1858 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in allergic_rhinitis cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine bipolar_disorder GAP_HIGH 0.1858 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in bipolar_disorder cell model. Expected: similar to l-lysine (Jaccard=0.20) isoprenaline sclerosing_cholangitis GAP_HIGH 0.1857 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in sclerosing_cholangitis cell model. Expected: similar to mesalazine (Jaccard=0.67) estazolam psoriatic_arthritis GAP_HIGH 0.1857 0.5625 fludiazepam High-priority: Binding assay estazolam→?; validate in psoriatic_arthritis cell model. Expected: similar to fludiazepam (Jaccard=0.56) tranylcypromine thyroid_cancer GAP_HIGH 0.1857 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) mepyramine parkinsons_disease GAP_HIGH 0.1857 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in parkinsons_disease cell model. Expected: similar to brompheniramine (Jaccard=0.50) phenformin breast_cancer GAP_HIGH 0.1857 0.5 phentermine High-priority: Binding assay phenformin→?; validate in breast_cancer cell model. Expected: similar to phentermine (Jaccard=0.50) alprazolam liver_cancer GAP_HIGH 0.1857 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) tofisopam epilepsy_syndrome GAP_HIGH 0.1857 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in epilepsy_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.38) ranolazine vaginal_cancer GAP_HIGH 0.1857 0.36363636363636365 tamsulosin High-priority: Binding assay ranolazine→?; validate in vaginal_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.36) aminophenazone chronic_kidney_failure GAP_HIGH 0.1857 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.25) dextrothyroxine endogenous_depression GAP_HIGH 0.1857 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in endogenous_depression cell model. Expected: similar to l-lysine (Jaccard=0.20) dopamine pagets_disease_of_bone GAP_HIGH 0.1857 0.2 histamine_phosphate High-priority: Binding assay dopamine→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) bepridil ulcerative_colitis GAP_HIGH 0.1856 0.6666666666666666 mepenzolate High-priority: Binding assay bepridil→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.67) megestrol_acetate thyroid_cancer GAP_HIGH 0.1856 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in thyroid_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) probenecid migraine GAP_HIGH 0.1856 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in migraine cell model. Expected: similar to chloroprocaine (Jaccard=0.58) mepyramine amyotrophic_lateral_sclerosis GAP_HIGH 0.1856 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to brompheniramine (Jaccard=0.50) methadyl_acetate focal_segmental_glomerulosclerosis GAP_HIGH 0.1856 0.5 promethazine High-priority: Binding assay methadyl_acetate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.50) phenformin pancreatic_cancer GAP_HIGH 0.1856 0.5 phentermine High-priority: Binding assay phenformin→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.50) allylestrenol vitiligo GAP_HIGH 0.1856 0.45454545454545453 norethindrone High-priority: Binding assay allylestrenol→?; validate in vitiligo cell model. Expected: similar to norethindrone (Jaccard=0.45) chlorthalidone systemic_lupus_erythematosus GAP_HIGH 0.1856 0.42857142857142855 phenindione High-priority: Binding assay chlorthalidone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenindione (Jaccard=0.43) estropipate muscle_cancer GAP_HIGH 0.1856 0.375 estrone High-priority: Binding assay estropipate→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.38) ranolazine vascular_cancer GAP_HIGH 0.1856 0.36363636363636365 tamsulosin High-priority: Binding assay ranolazine→?; validate in vascular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.36) methsuximide focal_segmental_glomerulosclerosis GAP_HIGH 0.1856 0.34615384615384615 clomipramine High-priority: Binding assay methsuximide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.35) cytarabine hepatitis_b GAP_HIGH 0.1856 0.3076923076923077 floxuridine High-priority: Binding assay cytarabine→?; validate in hepatitis_b cell model. Expected: similar to floxuridine (Jaccard=0.31) dextrothyroxine migraine GAP_HIGH 0.1856 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in migraine cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine multiple_sclerosis GAP_HIGH 0.1856 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in multiple_sclerosis cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine osteoporosis GAP_HIGH 0.1856 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in osteoporosis cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine ovarian_cancer GAP_HIGH 0.1856 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in ovarian_cancer cell model. Expected: similar to liothyronine (Jaccard=0.20) suprofen testicular_cancer GAP_HIGH 0.1855 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen vaginal_cancer GAP_HIGH 0.1855 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) suprofen vulva_cancer GAP_HIGH 0.1855 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) phenformin psoriasis GAP_HIGH 0.1855 0.5 phentermine High-priority: Binding assay phenformin→?; validate in psoriasis cell model. Expected: similar to phentermine (Jaccard=0.50) phenformin ulcerative_colitis GAP_HIGH 0.1855 0.5 phentermine High-priority: Binding assay phenformin→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.50) l-tryptophan rheumatoid_arthritis GAP_HIGH 0.1855 0.4444444444444444 liothyronine High-priority: Binding assay l-tryptophan→?; validate in rheumatoid_arthritis cell model. Expected: similar to liothyronine (Jaccard=0.44) ribavirin prostate_cancer GAP_HIGH 0.1855 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate ocular_cancer GAP_HIGH 0.1855 0.375 estrone High-priority: Binding assay estropipate→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam pancreatitis GAP_HIGH 0.1855 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in pancreatitis cell model. Expected: similar to clotrimazole (Jaccard=0.38) amphetamine larynx_cancer GAP_HIGH 0.1855 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) quinapril vitiligo GAP_HIGH 0.1855 0.3333333333333333 lisinopril High-priority: Binding assay quinapril→?; validate in vitiligo cell model. Expected: similar to lisinopril (Jaccard=0.33) propofol gilles_de_la_tourette_syndrome GAP_HIGH 0.1855 0.2857142857142857 chlordiazepoxide High-priority: Binding assay propofol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to chlordiazepoxide (Jaccard=0.29) polythiazide azoospermia GAP_HIGH 0.1855 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in azoospermia cell model. Expected: similar to nateglinide (Jaccard=0.26) azelastine chronic_kidney_failure GAP_HIGH 0.1854 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in chronic_kidney_failure cell model. Expected: similar to methdilazine (Jaccard=0.67) suprofen vascular_cancer GAP_HIGH 0.1854 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.64) fosphenytoin prostate_cancer GAP_HIGH 0.1854 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) tranylcypromine pancreatitis GAP_HIGH 0.1854 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in pancreatitis cell model. Expected: similar to probenecid (Jaccard=0.56) phenformin multiple_sclerosis GAP_HIGH 0.1854 0.5 phentermine High-priority: Binding assay phenformin→?; validate in multiple_sclerosis cell model. Expected: similar to phentermine (Jaccard=0.50) azacitidine pancreatitis GAP_HIGH 0.1854 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.41) estriol pharynx_cancer GAP_HIGH 0.1854 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) glisoxepide asthma GAP_HIGH 0.1854 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide panic_disorder GAP_HIGH 0.1854 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide schizophrenia GAP_HIGH 0.1854 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.30) latanoprost mediastinal_cancer GAP_HIGH 0.1854 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) latanoprost primary_biliary_cirrhosis GAP_HIGH 0.1854 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.30) glimepiride pancreatitis GAP_HIGH 0.1854 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) doxepin testicular_cancer GAP_HIGH 0.1853 0.75 amitriptyline High-priority: Binding assay doxepin→?; validate in testicular_cancer cell model. Expected: similar to amitriptyline (Jaccard=0.75) megestrol_acetate salivary_gland_cancer GAP_HIGH 0.1853 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in salivary_gland_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.62) phenelzine acquired_immunodeficiency_syndrome GAP_HIGH 0.1853 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.56) melatonin obesity GAP_HIGH 0.1853 0.5 eletriptan High-priority: Binding assay melatonin→?; validate in obesity cell model. Expected: similar to eletriptan (Jaccard=0.50) l-tryptophan psoriatic_arthritis GAP_HIGH 0.1853 0.4444444444444444 liothyronine High-priority: Binding assay l-tryptophan→?; validate in psoriatic_arthritis cell model. Expected: similar to liothyronine (Jaccard=0.44) ribavirin mediastinal_cancer GAP_HIGH 0.1853 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) tofisopam muscle_cancer GAP_HIGH 0.1853 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) ranolazine uterine_fibroid GAP_HIGH 0.1853 0.36363636363636365 tamsulosin High-priority: Binding assay ranolazine→?; validate in uterine_fibroid cell model. Expected: similar to tamsulosin (Jaccard=0.36) glisoxepide allergic_rhinitis GAP_HIGH 0.1853 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide colon_cancer GAP_HIGH 0.1853 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide hypertension GAP_HIGH 0.1853 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide stomach_cancer GAP_HIGH 0.1853 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) latanoprost thymus_cancer GAP_HIGH 0.1853 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) alpha-linolenic_acid ocular_cancer GAP_HIGH 0.1853 0.2222222222222222 dihomo-gamma-linolenic_acid High-priority: Binding assay alpha-linolenic_acid→?; validate in ocular_cancer cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.22) equilin malignant_glioma GAP_HIGH 0.1853 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in malignant_glioma cell model. Expected: similar to spironolactone (Jaccard=0.22) isoprenaline ankylosing_spondylitis GAP_HIGH 0.1852 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in ankylosing_spondylitis cell model. Expected: similar to mesalazine (Jaccard=0.67) docetaxel rheumatoid_arthritis GAP_HIGH 0.1852 0.6 paclitaxel High-priority: Binding assay docetaxel→?; validate in rheumatoid_arthritis cell model. Expected: similar to paclitaxel (Jaccard=0.60) fosphenytoin mediastinal_cancer GAP_HIGH 0.1852 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) phenoxybenzamine multiple_sclerosis GAP_HIGH 0.1852 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in multiple_sclerosis cell model. Expected: similar to benzphetamine (Jaccard=0.58) probenecid metabolic_syndrome_x GAP_HIGH 0.1852 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in metabolic_syndrome_x cell model. Expected: similar to chloroprocaine (Jaccard=0.58) tranylcypromine muscle_cancer GAP_HIGH 0.1852 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) etonogestrel allergic_rhinitis GAP_HIGH 0.1852 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in allergic_rhinitis cell model. Expected: similar to desogestrel (Jaccard=0.50) fluorometholone sclerosing_cholangitis GAP_HIGH 0.1852 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.50) phenformin systemic_lupus_erythematosus GAP_HIGH 0.1852 0.5 phentermine High-priority: Binding assay phenformin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.50) vidarabine mediastinal_cancer GAP_HIGH 0.1852 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.47) agomelatine azoospermia GAP_HIGH 0.1852 0.4117647058823529 naproxen High-priority: Binding assay agomelatine→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.41) mepenzolate focal_segmental_glomerulosclerosis GAP_HIGH 0.1852 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.40) ribavirin thymus_cancer GAP_HIGH 0.1852 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate peripheral_nervous_system_neoplasm GAP_HIGH 0.1852 0.375 estrone High-priority: Binding assay estropipate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam lung_cancer GAP_HIGH 0.1852 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) equilin kidney_cancer GAP_HIGH 0.1852 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.22) dextrothyroxine metabolic_syndrome_x GAP_HIGH 0.1852 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in metabolic_syndrome_x cell model. Expected: similar to l-lysine (Jaccard=0.20) isoprenaline thyroid_cancer GAP_HIGH 0.1851 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in thyroid_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) suprofen uterine_fibroid GAP_HIGH 0.1851 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=0.64) fosphenytoin thymus_cancer GAP_HIGH 0.1851 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) tranylcypromine lung_cancer GAP_HIGH 0.1851 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) dextroamphetamine coronary_artery_disease GAP_HIGH 0.1851 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.55) dextroamphetamine narcolepsy GAP_HIGH 0.1851 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in narcolepsy cell model. Expected: similar to phentermine (Jaccard=0.55) mepyramine breast_cancer GAP_HIGH 0.1851 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in breast_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) mepyramine colon_cancer GAP_HIGH 0.1851 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in colon_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) vidarabine thymus_cancer GAP_HIGH 0.1851 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.47) orciprenaline epilepsy_syndrome GAP_HIGH 0.1851 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.45) glisoxepide ulcerative_colitis GAP_HIGH 0.1851 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.30) glimepiride lung_cancer GAP_HIGH 0.1851 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride rectum_cancer GAP_HIGH 0.1851 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) equilin nephrolithiasis GAP_HIGH 0.1851 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in nephrolithiasis cell model. Expected: similar to spironolactone (Jaccard=0.22) dextrothyroxine osteoarthritis GAP_HIGH 0.1851 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in osteoarthritis cell model. Expected: similar to liothyronine (Jaccard=0.20) colchicine pagets_disease_of_bone GAP_HIGH 0.1851 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) doxorubicin narcolepsy GAP_HIGH 0.185 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.64) amoxapine crohns_disease GAP_HIGH 0.185 0.625 azelastine High-priority: Binding assay amoxapine→?; validate in crohns_disease cell model. Expected: similar to azelastine (Jaccard=0.62) fosphenytoin coronary_artery_disease GAP_HIGH 0.185 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) phenoxybenzamine systemic_lupus_erythematosus GAP_HIGH 0.185 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to benzphetamine (Jaccard=0.58) dobutamine rheumatoid_arthritis GAP_HIGH 0.185 0.5 isoetarine High-priority: Binding assay dobutamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to isoetarine (Jaccard=0.50) etonogestrel multiple_sclerosis GAP_HIGH 0.185 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in multiple_sclerosis cell model. Expected: similar to desogestrel (Jaccard=0.50) medroxyprogesterone_acetate malignant_glioma GAP_HIGH 0.185 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in malignant_glioma cell model. Expected: similar to spironolactone (Jaccard=0.50) mepyramine stomach_cancer GAP_HIGH 0.185 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in stomach_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) phenformin metabolic_syndrome_x GAP_HIGH 0.185 0.5 phentermine High-priority: Binding assay phenformin→?; validate in metabolic_syndrome_x cell model. Expected: similar to phentermine (Jaccard=0.50) phenformin skin_cancer GAP_HIGH 0.185 0.5 phentermine High-priority: Binding assay phenformin→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.50) alprazolam stomach_cancer GAP_HIGH 0.185 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) tofisopam amyotrophic_lateral_sclerosis GAP_HIGH 0.185 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam autistic_disorder GAP_HIGH 0.185 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in autistic_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam nicotine_dependence GAP_HIGH 0.185 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in nicotine_dependence cell model. Expected: similar to clotrimazole (Jaccard=0.38) doxapram malignant_mesothelioma GAP_HIGH 0.185 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.36) glisoxepide migraine GAP_HIGH 0.185 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide ovarian_cancer GAP_HIGH 0.185 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.30) glisoxepide sarcoma GAP_HIGH 0.185 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.30) talbutal esophageal_cancer GAP_HIGH 0.185 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in esophageal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) tranylcypromine liver_cancer GAP_HIGH 0.1849 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) medroxyprogesterone_acetate kidney_cancer GAP_HIGH 0.1849 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) mepyramine pancreatic_cancer GAP_HIGH 0.1849 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in pancreatic_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) alprazolam pancreatic_cancer GAP_HIGH 0.1849 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) ethynodiol crohns_disease GAP_HIGH 0.1849 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in crohns_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.47) chlorthalidone systemic_scleroderma GAP_HIGH 0.1849 0.42857142857142855 phenindione High-priority: Binding assay chlorthalidone→?; validate in systemic_scleroderma cell model. Expected: similar to phenindione (Jaccard=0.43) arformoterol salivary_gland_cancer GAP_HIGH 0.1849 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in salivary_gland_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) tropicamide celiac_disease GAP_HIGH 0.1849 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) dextropropoxyphene systemic_lupus_erythematosus GAP_HIGH 0.1849 0.2857142857142857 desipramine High-priority: Binding assay dextropropoxyphene→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.29) glimepiride liver_cancer GAP_HIGH 0.1849 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) equilin celiac_disease GAP_HIGH 0.1849 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in celiac_disease cell model. Expected: similar to spironolactone (Jaccard=0.22) isoprenaline pancreatitis GAP_HIGH 0.1848 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in pancreatitis cell model. Expected: similar to mesalazine (Jaccard=0.67) amoxapine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1848 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loxapine (Jaccard=0.64) probenecid obesity GAP_HIGH 0.1848 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in obesity cell model. Expected: similar to chloroprocaine (Jaccard=0.58) tranylcypromine urinary_bladder_cancer GAP_HIGH 0.1848 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) fulvestrant ankylosing_spondylitis GAP_HIGH 0.1848 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in ankylosing_spondylitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) eplerenone sclerosing_cholangitis GAP_HIGH 0.1848 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.50) etonogestrel systemic_lupus_erythematosus GAP_HIGH 0.1848 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desogestrel (Jaccard=0.50) medroxyprogesterone_acetate nephrolithiasis GAP_HIGH 0.1848 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in nephrolithiasis cell model. Expected: similar to spironolactone (Jaccard=0.50) mepyramine multiple_sclerosis GAP_HIGH 0.1848 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in multiple_sclerosis cell model. Expected: similar to brompheniramine (Jaccard=0.50) mepyramine ovarian_cancer GAP_HIGH 0.1848 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in ovarian_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) alprazolam ulcerative_colitis GAP_HIGH 0.1848 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.47) orciprenaline muscle_cancer GAP_HIGH 0.1848 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.45) estriol salivary_gland_cancer GAP_HIGH 0.1848 0.3333333333333333 methimazole High-priority: Binding assay estriol→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) ethotoin leprosy GAP_HIGH 0.1848 0.3333333333333333 phensuximide High-priority: Binding assay ethotoin→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.33) glimepiride peripheral_nervous_system_neoplasm GAP_HIGH 0.1848 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.27) dextrothyroxine obesity GAP_HIGH 0.1848 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in obesity cell model. Expected: similar to l-lysine (Jaccard=0.20) acetic_acid barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking acetic_acid vs barretts_esophagus targets. Cross-check acetic_acid pharmacophore against barretts_esophagus pathway. aminocaproic_acid barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking aminocaproic_acid vs barretts_esophagus targets. Cross-check aminocaproic_acid pharmacophore against barretts_esophagus pathway. benzthiazide barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking benzthiazide vs barretts_esophagus targets. Cross-check benzthiazide pharmacophore against barretts_esophagus pathway. esmolol barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking esmolol vs barretts_esophagus targets. Cross-check esmolol pharmacophore against barretts_esophagus pathway. methocarbamol barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking methocarbamol vs barretts_esophagus targets. Cross-check methocarbamol pharmacophore against barretts_esophagus pathway. quinestrol barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking quinestrol vs barretts_esophagus targets. Cross-check quinestrol pharmacophore against barretts_esophagus pathway. streptozocin barretts_esophagus GAP_LOW 0.1848 0.0 pantoprazole Low-priority: Computational docking streptozocin vs barretts_esophagus targets. Cross-check streptozocin pharmacophore against barretts_esophagus pathway. suprofen polycystic_ovary_syndrome GAP_HIGH 0.1847 0.6363636363636364 procarbazine High-priority: Binding assay suprofen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to procarbazine (Jaccard=0.64) alprazolam uterine_cancer GAP_HIGH 0.1847 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) phenmetrazine colon_cancer GAP_HIGH 0.1847 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.45) chlorthalidone azoospermia GAP_HIGH 0.1847 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in azoospermia cell model. Expected: similar to oxaprozin (Jaccard=0.40) estropipate hypertension GAP_HIGH 0.1847 0.375 estrone High-priority: Binding assay estropipate→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.38) mephentermine celiac_disease GAP_HIGH 0.1847 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) dextropropoxyphene skin_cancer GAP_HIGH 0.1847 0.2857142857142857 orphenadrine High-priority: Binding assay dextropropoxyphene→?; validate in skin_cancer cell model. Expected: similar to orphenadrine (Jaccard=0.29) dextrothyroxine systemic_scleroderma GAP_HIGH 0.1847 0.2 pregabalin High-priority: Binding assay dextrothyroxine→?; validate in systemic_scleroderma cell model. Expected: similar to pregabalin (Jaccard=0.20) methacholine germ_cell_cancer GAP_HIGH 0.1847 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in germ_cell_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) amoxapine prostate_cancer GAP_HIGH 0.1846 0.625 azelastine High-priority: Binding assay amoxapine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.62) fulvestrant chronic_obstructive_pulmonary_disease GAP_HIGH 0.1846 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) arbutamine narcolepsy GAP_HIGH 0.1846 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in narcolepsy cell model. Expected: similar to masoprocol (Jaccard=0.53) medroxyprogesterone_acetate celiac_disease GAP_HIGH 0.1846 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in celiac_disease cell model. Expected: similar to spironolactone (Jaccard=0.50) terbutaline asthma GAP_HIGH 0.1846 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in asthma cell model. Expected: similar to dipivefrin (Jaccard=0.50) arformoterol ocular_cancer GAP_HIGH 0.1846 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in ocular_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) estropipate allergic_rhinitis GAP_HIGH 0.1846 0.375 estrone High-priority: Binding assay estropipate→?; validate in allergic_rhinitis cell model. Expected: similar to estrone (Jaccard=0.38) benazepril coronary_artery_disease GAP_HIGH 0.1846 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.33) aminolevulinic_acid narcolepsy GAP_HIGH 0.1846 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in narcolepsy cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) isoprenaline lung_cancer GAP_HIGH 0.1845 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in lung_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline rectum_cancer GAP_HIGH 0.1845 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in rectum_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) testosterone_propionate breast_cancer GAP_HIGH 0.1845 0.6666666666666666 dydrogesterone High-priority: Binding assay testosterone_propionate→?; validate in breast_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.67) methyltestosterone germ_cell_cancer GAP_HIGH 0.1845 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in germ_cell_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) etonogestrel osteoarthritis GAP_HIGH 0.1845 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in osteoarthritis cell model. Expected: similar to desogestrel (Jaccard=0.50) ethynodiol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1845 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dydrogesterone (Jaccard=0.47) phenmetrazine psoriasis GAP_HIGH 0.1845 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) phenmetrazine ulcerative_colitis GAP_HIGH 0.1845 0.45454545454545453 sulfanilamide High-priority: Binding assay phenmetrazine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) arformoterol parkinsons_disease GAP_HIGH 0.1845 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in parkinsons_disease cell model. Expected: similar to arbutamine (Jaccard=0.40) estropipate psoriasis GAP_HIGH 0.1845 0.375 estrone High-priority: Binding assay estropipate→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.38) epoprostenol metabolic_syndrome_x GAP_HIGH 0.1845 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in metabolic_syndrome_x cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) polythiazide membranous_glomerulonephritis GAP_HIGH 0.1845 0.2608695652173913 tamsulosin High-priority: Binding assay polythiazide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to tamsulosin (Jaccard=0.26) aminophenazone azoospermia GAP_HIGH 0.1845 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.25) nitisinone focal_segmental_glomerulosclerosis GAP_HIGH 0.1845 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to butenafine (Jaccard=0.17) ospemifene barretts_esophagus GAP_LOW 0.1845 0.07142857142857142 pantoprazole Low-priority: Computational docking ospemifene vs barretts_esophagus targets. Cross-check ospemifene pharmacophore against barretts_esophagus pathway. isoprenaline liver_cancer GAP_HIGH 0.1844 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in liver_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) chloroprocaine gout GAP_HIGH 0.1844 0.5789473684210527 procaine High-priority: Binding assay chloroprocaine→?; validate in gout cell model. Expected: similar to procaine (Jaccard=0.58) arformoterol amyotrophic_lateral_sclerosis GAP_HIGH 0.1844 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to arbutamine (Jaccard=0.40) losartan type_2_diabetes_mellitus GAP_HIGH 0.1844 0.4 rescinnamine High-priority: Binding assay losartan→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to rescinnamine (Jaccard=0.40) estropipate migraine GAP_HIGH 0.1844 0.375 estrone High-priority: Binding assay estropipate→?; validate in migraine cell model. Expected: similar to estrone (Jaccard=0.38) estropipate multiple_sclerosis GAP_HIGH 0.1844 0.375 estrone High-priority: Binding assay estropipate→?; validate in multiple_sclerosis cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam breast_cancer GAP_HIGH 0.1844 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in breast_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam colon_cancer GAP_HIGH 0.1844 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in colon_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam conduct_disorder GAP_HIGH 0.1844 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in conduct_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.38) glimepiride asthma GAP_HIGH 0.1844 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride panic_disorder GAP_HIGH 0.1844 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride schizophrenia GAP_HIGH 0.1844 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.27) nitisinone gilles_de_la_tourette_syndrome GAP_HIGH 0.1844 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to butenafine (Jaccard=0.17) amoxapine lung_cancer GAP_HIGH 0.1843 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in lung_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine rectum_cancer GAP_HIGH 0.1843 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in rectum_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) phenoxybenzamine systemic_scleroderma GAP_HIGH 0.1843 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in systemic_scleroderma cell model. Expected: similar to benzphetamine (Jaccard=0.58) probenecid polycystic_ovary_syndrome GAP_HIGH 0.1843 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.58) probenecid restless_legs_syndrome GAP_HIGH 0.1843 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in restless_legs_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.58) probenecid type_2_diabetes_mellitus GAP_HIGH 0.1843 0.5833333333333334 chloroprocaine High-priority: Binding assay probenecid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chloroprocaine (Jaccard=0.58) tranylcypromine breast_cancer GAP_HIGH 0.1843 0.5555555555555556 phenmetrazine High-priority: Binding assay tranylcypromine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.56) mepyramine skin_cancer GAP_HIGH 0.1843 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in skin_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) terbutaline uterine_cancer GAP_HIGH 0.1843 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) flurandrenolide kidney_cancer GAP_HIGH 0.1843 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.46) arformoterol peripheral_nervous_system_neoplasm GAP_HIGH 0.1843 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to arbutamine (Jaccard=0.40) estropipate sarcoma GAP_HIGH 0.1843 0.375 estrone High-priority: Binding assay estropipate→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam allergic_rhinitis GAP_HIGH 0.1843 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in allergic_rhinitis cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam bipolar_disorder GAP_HIGH 0.1843 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in bipolar_disorder cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam stomach_cancer GAP_HIGH 0.1843 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) latanoprost duodenum_cancer GAP_HIGH 0.1843 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) latanoprost gallbladder_cancer GAP_HIGH 0.1843 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) latanoprost melanoma GAP_HIGH 0.1843 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.30) aminoglutethimide azoospermia GAP_HIGH 0.1843 0.2857142857142857 procaine High-priority: Binding assay aminoglutethimide→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.29) dextropropoxyphene systemic_scleroderma GAP_HIGH 0.1843 0.2857142857142857 desipramine High-priority: Binding assay dextropropoxyphene→?; validate in systemic_scleroderma cell model. Expected: similar to desipramine (Jaccard=0.29) glimepiride colon_cancer GAP_HIGH 0.1843 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride hypertension GAP_HIGH 0.1843 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride stomach_cancer GAP_HIGH 0.1843 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) dextrothyroxine polycystic_ovary_syndrome GAP_HIGH 0.1843 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to liothyronine (Jaccard=0.20) dextrothyroxine restless_legs_syndrome GAP_HIGH 0.1843 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in restless_legs_syndrome cell model. Expected: similar to l-lysine (Jaccard=0.20) dextrothyroxine type_2_diabetes_mellitus GAP_HIGH 0.1843 0.2 l-lysine High-priority: Binding assay dextrothyroxine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to l-lysine (Jaccard=0.20) isoprenaline urinary_bladder_cancer GAP_HIGH 0.1842 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in urinary_bladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) tranylcypromine stomach_cancer GAP_HIGH 0.1842 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) lapatinib pharynx_cancer GAP_HIGH 0.1842 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in pharynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) mepyramine testicular_cancer GAP_HIGH 0.1842 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in testicular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) vidarabine thyroid_cancer GAP_HIGH 0.1842 0.4782608695652174 clofarabine High-priority: Binding assay vidarabine→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) flurandrenolide nephrolithiasis GAP_HIGH 0.1842 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.46) orciprenaline attention_deficit_hyperactivity_disorder GAP_HIGH 0.1842 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.45) ribavirin duodenum_cancer GAP_HIGH 0.1842 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) ribavirin gallbladder_cancer GAP_HIGH 0.1842 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) ribavirin melanoma GAP_HIGH 0.1842 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate systemic_lupus_erythematosus GAP_HIGH 0.1842 0.375 estrone High-priority: Binding assay estropipate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam pancreatic_cancer GAP_HIGH 0.1842 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) glimepiride allergic_rhinitis GAP_HIGH 0.1842 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) amoxapine liver_cancer GAP_HIGH 0.1841 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in liver_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine coronary_artery_disease GAP_HIGH 0.1841 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in coronary_artery_disease cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) amoxapine hematologic_cancer GAP_HIGH 0.1841 0.625 azelastine High-priority: Binding assay amoxapine→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.62) amoxapine narcolepsy GAP_HIGH 0.1841 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) fosphenytoin melanoma GAP_HIGH 0.1841 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.58) tranylcypromine pancreatic_cancer GAP_HIGH 0.1841 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in pancreatic_cancer cell model. Expected: similar to clofibrate (Jaccard=0.56) mepyramine vascular_cancer GAP_HIGH 0.1841 0.5 brompheniramine High-priority: Binding assay mepyramine→?; validate in vascular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) sulfanilamide epilepsy_syndrome GAP_HIGH 0.1841 0.5 aminoglutethimide High-priority: Binding assay sulfanilamide→?; validate in epilepsy_syndrome cell model. Expected: similar to aminoglutethimide (Jaccard=0.50) vidarabine melanoma GAP_HIGH 0.1841 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.47) alprazolam testicular_cancer GAP_HIGH 0.1841 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) alprazolam vaginal_cancer GAP_HIGH 0.1841 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) alprazolam vulva_cancer GAP_HIGH 0.1841 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.47) flurandrenolide celiac_disease GAP_HIGH 0.1841 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.46) phenindione chronic_kidney_failure GAP_HIGH 0.1841 0.45454545454545453 clomipramine High-priority: Binding assay phenindione→?; validate in chronic_kidney_failure cell model. Expected: similar to clomipramine (Jaccard=0.45) allylestrenol skin_cancer GAP_HIGH 0.1841 0.4444444444444444 megestrol_acetate High-priority: Binding assay allylestrenol→?; validate in skin_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.44) azacitidine ulcerative_colitis GAP_HIGH 0.1841 0.4117647058823529 entecavir High-priority: Binding assay azacitidine→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.41) tofisopam multiple_sclerosis GAP_HIGH 0.1841 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam ovarian_cancer GAP_HIGH 0.1841 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in ovarian_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.38) tofisopam psoriasis GAP_HIGH 0.1841 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.38) epoprostenol obesity GAP_HIGH 0.1841 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in obesity cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) glimepiride ulcerative_colitis GAP_HIGH 0.1841 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) cabazitaxel barretts_esophagus GAP_LOW 0.1841 0.14285714285714285 pantoprazole Low-priority: Computational docking cabazitaxel vs barretts_esophagus targets. Cross-check cabazitaxel pharmacophore against barretts_esophagus pathway. azelastine membranous_glomerulonephritis GAP_HIGH 0.184 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to methdilazine (Jaccard=0.67) tranylcypromine osteoporosis GAP_HIGH 0.184 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in osteoporosis cell model. Expected: similar to probenecid (Jaccard=0.56) furosemide autistic_disorder GAP_HIGH 0.184 0.5 indapamide High-priority: Binding assay furosemide→?; validate in autistic_disorder cell model. Expected: similar to indapamide (Jaccard=0.50) furosemide nicotine_dependence GAP_HIGH 0.184 0.5 indapamide High-priority: Binding assay furosemide→?; validate in nicotine_dependence cell model. Expected: similar to indapamide (Jaccard=0.50) ethynodiol coronary_artery_disease GAP_HIGH 0.184 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in coronary_artery_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.47) dipivefrin creutzfeldt-jakob_disease GAP_HIGH 0.184 0.42857142857142855 phenylephrine High-priority: Binding assay dipivefrin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.43) estropipate skin_cancer GAP_HIGH 0.184 0.375 estrone High-priority: Binding assay estropipate→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.38) tofisopam sarcoma GAP_HIGH 0.184 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.38) glisoxepide uterine_fibroid GAP_HIGH 0.184 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.30) glimepiride migraine GAP_HIGH 0.184 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.27) glimepiride ovarian_cancer GAP_HIGH 0.184 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) dextrothyroxine rheumatoid_arthritis GAP_HIGH 0.184 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in rheumatoid_arthritis cell model. Expected: similar to liothyronine (Jaccard=0.20) megestrol_acetate sarcoma GAP_HIGH 0.1839 0.625 prednicarbate High-priority: Binding assay megestrol_acetate→?; validate in sarcoma cell model. Expected: similar to prednicarbate (Jaccard=0.62) phenprocoumon celiac_disease GAP_HIGH 0.1839 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in celiac_disease cell model. Expected: similar to atomoxetine (Jaccard=0.60) phenoxybenzamine polycystic_ovary_syndrome GAP_HIGH 0.1839 0.5833333333333334 benzphetamine High-priority: Binding assay phenoxybenzamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to benzphetamine (Jaccard=0.58) benzatropine thyroid_cancer GAP_HIGH 0.1839 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) probenecid hematologic_cancer GAP_HIGH 0.1839 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid narcolepsy GAP_HIGH 0.1839 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.56) tranylcypromine sarcoma GAP_HIGH 0.1839 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in sarcoma cell model. Expected: similar to probenecid (Jaccard=0.56) ergocalciferol vaginal_cancer GAP_HIGH 0.1839 0.42857142857142855 calcipotriol High-priority: Binding assay ergocalciferol→?; validate in vaginal_cancer cell model. Expected: similar to calcipotriol (Jaccard=0.43) ribavirin sclerosing_cholangitis GAP_HIGH 0.1839 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in sclerosing_cholangitis cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate osteoarthritis GAP_HIGH 0.1839 0.375 estrone High-priority: Binding assay estropipate→?; validate in osteoarthritis cell model. Expected: similar to estrone (Jaccard=0.38) estropipate head_and_neck_cancer GAP_HIGH 0.1839 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) latanoprost sclerosing_cholangitis GAP_HIGH 0.1839 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.30) glimepiride sarcoma GAP_HIGH 0.1839 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.27) oxyphenonium hepatitis_b GAP_HIGH 0.1839 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.25) isoprenaline asthma GAP_HIGH 0.1838 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in asthma cell model. Expected: similar to mesalazine (Jaccard=0.67) bethanidine coronary_artery_disease GAP_HIGH 0.1838 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in coronary_artery_disease cell model. Expected: similar to phenelzine (Jaccard=0.59) phenformin rheumatoid_arthritis GAP_HIGH 0.1838 0.5 phentermine High-priority: Binding assay phenformin→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.50) orciprenaline colon_cancer GAP_HIGH 0.1838 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.45) arformoterol breast_cancer GAP_HIGH 0.1838 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in breast_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) flavin_adenine_dinucleotide thyroid_cancer GAP_HIGH 0.1838 0.4 nelarabine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in thyroid_cancer cell model. Expected: similar to nelarabine (Jaccard=0.40) tofisopam systemic_lupus_erythematosus GAP_HIGH 0.1838 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.38) glisoxepide restless_legs_syndrome GAP_HIGH 0.1838 0.30434782608695654 bezafibrate High-priority: Binding assay glisoxepide→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.30) dextrothyroxine psoriatic_arthritis GAP_HIGH 0.1838 0.2 liothyronine High-priority: Binding assay dextrothyroxine→?; validate in psoriatic_arthritis cell model. Expected: similar to liothyronine (Jaccard=0.20) isoprenaline stomach_cancer GAP_HIGH 0.1837 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in stomach_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) tranylcypromine systemic_lupus_erythematosus GAP_HIGH 0.1837 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to probenecid (Jaccard=0.56) etonogestrel type_2_diabetes_mellitus GAP_HIGH 0.1837 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to desogestrel (Jaccard=0.50) terbutaline vaginal_cancer GAP_HIGH 0.1837 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) terbutaline vulva_cancer GAP_HIGH 0.1837 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) vidarabine sclerosing_cholangitis GAP_HIGH 0.1837 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in sclerosing_cholangitis cell model. Expected: similar to entecavir (Jaccard=0.47) alprazolam uterine_fibroid GAP_HIGH 0.1837 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.47) melphalan crohns_disease GAP_HIGH 0.1837 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.47) doxapram prostate_cancer GAP_HIGH 0.1837 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) amiloride alopecia_areata GAP_HIGH 0.1837 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.25) isoprenaline bipolar_disorder GAP_HIGH 0.1836 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in bipolar_disorder cell model. Expected: similar to mesalazine (Jaccard=0.67) isoprenaline pancreatic_cancer GAP_HIGH 0.1836 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in pancreatic_cancer cell model. Expected: similar to mesalazine (Jaccard=0.67) tranylcypromine metabolic_syndrome_x GAP_HIGH 0.1836 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clofibrate (Jaccard=0.56) clonidine atherosclerosis GAP_HIGH 0.1836 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in atherosclerosis cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) lapatinib salivary_gland_cancer GAP_HIGH 0.1836 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in salivary_gland_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) phenformin psoriatic_arthritis GAP_HIGH 0.1836 0.5 phentermine High-priority: Binding assay phenformin→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.50) terbutaline testicular_cancer GAP_HIGH 0.1836 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) orciprenaline endogenous_depression GAP_HIGH 0.1836 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.45) phenobarbital gout GAP_HIGH 0.1836 0.3333333333333333 phenindione High-priority: Binding assay phenobarbital→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.33) tropicamide azoospermia GAP_HIGH 0.1836 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) methotrimeprazine prostate_cancer GAP_HIGH 0.1835 0.6923076923076923 thioproperazine High-priority: Binding assay methotrimeprazine→?; validate in prostate_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.69) amoxapine hypertension GAP_HIGH 0.1835 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in hypertension cell model. Expected: similar to loxapine (Jaccard=0.64) megestrol_acetate dilated_cardiomyopathy GAP_HIGH 0.1835 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.50) terbutaline vascular_cancer GAP_HIGH 0.1835 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.50) orciprenaline multiple_sclerosis GAP_HIGH 0.1835 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.45) arformoterol ovarian_cancer GAP_HIGH 0.1835 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in ovarian_cancer cell model. Expected: similar to arbutamine (Jaccard=0.40) arformoterol sarcoma GAP_HIGH 0.1835 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in sarcoma cell model. Expected: similar to arbutamine (Jaccard=0.40) estropipate systemic_scleroderma GAP_HIGH 0.1835 0.375 estrone High-priority: Binding assay estropipate→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.38) doxapram mediastinal_cancer GAP_HIGH 0.1835 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) epoprostenol polycystic_ovary_syndrome GAP_HIGH 0.1835 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) epoprostenol type_2_diabetes_mellitus GAP_HIGH 0.1835 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) proparacaine leprosy GAP_HIGH 0.1835 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.29) isoprenaline osteoporosis GAP_HIGH 0.1834 0.6666666666666666 mesalazine High-priority: Binding assay isoprenaline→?; validate in osteoporosis cell model. Expected: similar to mesalazine (Jaccard=0.67) amoxapine pancreatic_cancer GAP_HIGH 0.1834 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in pancreatic_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine stomach_cancer GAP_HIGH 0.1834 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in stomach_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) benzatropine muscle_cancer GAP_HIGH 0.1834 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) tranylcypromine testicular_cancer GAP_HIGH 0.1834 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) tranylcypromine vaginal_cancer GAP_HIGH 0.1834 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) etonogestrel rheumatoid_arthritis GAP_HIGH 0.1834 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in rheumatoid_arthritis cell model. Expected: similar to desogestrel (Jaccard=0.50) furosemide allergic_rhinitis GAP_HIGH 0.1834 0.5 indapamide High-priority: Binding assay furosemide→?; validate in allergic_rhinitis cell model. Expected: similar to indapamide (Jaccard=0.50) furosemide breast_cancer GAP_HIGH 0.1834 0.5 indapamide High-priority: Binding assay furosemide→?; validate in breast_cancer cell model. Expected: similar to indapamide (Jaccard=0.50) methadyl_acetate chronic_kidney_failure GAP_HIGH 0.1834 0.5 promethazine High-priority: Binding assay methadyl_acetate→?; validate in chronic_kidney_failure cell model. Expected: similar to promethazine (Jaccard=0.50) alprazolam polycystic_ovary_syndrome GAP_HIGH 0.1834 0.47058823529411764 clobazam High-priority: Binding assay alprazolam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.47) doxapram thymus_cancer GAP_HIGH 0.1834 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) methsuximide chronic_kidney_failure GAP_HIGH 0.1834 0.34615384615384615 clomipramine High-priority: Binding assay methsuximide→?; validate in chronic_kidney_failure cell model. Expected: similar to clomipramine (Jaccard=0.35) amphetamine esophageal_cancer GAP_HIGH 0.1834 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) benazepril creutzfeldt-jakob_disease GAP_HIGH 0.1834 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.33) amoxapine psoriasis GAP_HIGH 0.1833 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in psoriasis cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine ulcerative_colitis GAP_HIGH 0.1833 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in ulcerative_colitis cell model. Expected: similar to loxapine (Jaccard=0.64) benzphetamine type_1_diabetes_mellitus GAP_HIGH 0.1833 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.60) oxazepam ulcerative_colitis GAP_HIGH 0.1833 0.5833333333333334 diazepam High-priority: Binding assay oxazepam→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.58) tranylcypromine vascular_cancer GAP_HIGH 0.1833 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.56) fulvestrant asthma GAP_HIGH 0.1833 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in asthma cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) fulvestrant atopic_dermatitis GAP_HIGH 0.1833 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in atopic_dermatitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) l-citrulline hematologic_cancer GAP_HIGH 0.1833 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in hematologic_cancer cell model. Expected: similar to l-glutamine (Jaccard=0.51) lapatinib ocular_cancer GAP_HIGH 0.1833 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in ocular_cancer cell model. Expected: similar to docetaxel (Jaccard=0.50) dinoprostone alcohol_dependence GAP_HIGH 0.1833 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) l-tryptophan hypothyroidism GAP_HIGH 0.1833 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in hypothyroidism cell model. Expected: similar to methimazole (Jaccard=0.20) methacholine meningioma GAP_HIGH 0.1833 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in meningioma cell model. Expected: similar to alclometasone (Jaccard=0.20) amoxapine osteoporosis GAP_HIGH 0.1832 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in osteoporosis cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine uterine_cancer GAP_HIGH 0.1832 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in uterine_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) fosphenytoin thyroid_cancer GAP_HIGH 0.1832 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) fulvestrant allergic_rhinitis GAP_HIGH 0.1832 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in allergic_rhinitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) etonogestrel psoriatic_arthritis GAP_HIGH 0.1832 0.5 desogestrel High-priority: Binding assay etonogestrel→?; validate in psoriatic_arthritis cell model. Expected: similar to desogestrel (Jaccard=0.50) fluorometholone hypertension GAP_HIGH 0.1832 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.50) furosemide psoriasis GAP_HIGH 0.1832 0.5 indapamide High-priority: Binding assay furosemide→?; validate in psoriasis cell model. Expected: similar to indapamide (Jaccard=0.50) furosemide ulcerative_colitis GAP_HIGH 0.1832 0.5 indapamide High-priority: Binding assay furosemide→?; validate in ulcerative_colitis cell model. Expected: similar to indapamide (Jaccard=0.50) terbutaline uterine_fibroid GAP_HIGH 0.1832 0.5 dipivefrin High-priority: Binding assay terbutaline→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.50) ethynodiol melanoma GAP_HIGH 0.1832 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in melanoma cell model. Expected: similar to dydrogesterone (Jaccard=0.47) tofisopam systemic_scleroderma GAP_HIGH 0.1832 0.375 clotrimazole High-priority: Binding assay tofisopam→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.38) doxapram hematologic_cancer GAP_HIGH 0.1832 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) aminophenazone malignant_mesothelioma GAP_HIGH 0.1832 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.25) equilin germ_cell_cancer GAP_HIGH 0.1832 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in germ_cell_cancer cell model. Expected: similar to spironolactone (Jaccard=0.22) pyrimethamine acquired_immunodeficiency_syndrome GAP_HIGH 0.1832 0.2222222222222222 mitiglinide High-priority: Binding assay pyrimethamine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.22) fosphenytoin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1831 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.58) methyltestosterone meningioma GAP_HIGH 0.1831 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in meningioma cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) arbutamine pharynx_cancer GAP_HIGH 0.1831 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in pharynx_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) furosemide osteoporosis GAP_HIGH 0.1831 0.5 indapamide High-priority: Binding assay furosemide→?; validate in osteoporosis cell model. Expected: similar to indapamide (Jaccard=0.50) estropipate restless_legs_syndrome GAP_HIGH 0.1831 0.375 estrone High-priority: Binding assay estropipate→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.38) estropipate type_2_diabetes_mellitus GAP_HIGH 0.1831 0.375 estrone High-priority: Binding assay estropipate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to estrone (Jaccard=0.38) metaraminol type_1_diabetes_mellitus GAP_HIGH 0.1831 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.33) pralatrexate lymphatic_system_cancer GAP_HIGH 0.1831 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in lymphatic_system_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) latanoprost pancreatitis GAP_HIGH 0.1831 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.30) streptozocin dilated_cardiomyopathy GAP_HIGH 0.1831 0.25 milrinone High-priority: Binding assay streptozocin→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) methotrimeprazine hematologic_cancer GAP_HIGH 0.183 0.6923076923076923 thioproperazine High-priority: Binding assay methotrimeprazine→?; validate in hematologic_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.69) pirenzepine focal_segmental_glomerulosclerosis GAP_HIGH 0.183 0.6153846153846154 perphenazine High-priority: Binding assay pirenzepine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to perphenazine (Jaccard=0.62) tranylcypromine uterine_fibroid GAP_HIGH 0.183 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in uterine_fibroid cell model. Expected: similar to probenecid (Jaccard=0.56) fulvestrant multiple_sclerosis GAP_HIGH 0.183 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in multiple_sclerosis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) fulvestrant psoriasis GAP_HIGH 0.183 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in psoriasis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) melphalan gout GAP_HIGH 0.183 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.47) orciprenaline osteoarthritis GAP_HIGH 0.183 0.45454545454545453 levonordefrin High-priority: Binding assay orciprenaline→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.45) mepenzolate chronic_kidney_failure GAP_HIGH 0.183 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in chronic_kidney_failure cell model. Expected: similar to propiomazine (Jaccard=0.40) ribavirin pancreatitis GAP_HIGH 0.183 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.40) estropipate vitiligo GAP_HIGH 0.183 0.375 estrone High-priority: Binding assay estropipate→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.38) epoprostenol psoriatic_arthritis GAP_HIGH 0.183 0.2857142857142857 acetyldigitoxin High-priority: Binding assay epoprostenol→?; validate in psoriatic_arthritis cell model. Expected: similar to acetyldigitoxin (Jaccard=0.29) glimepiride uterine_fibroid GAP_HIGH 0.183 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.27) polythiazide alcohol_dependence GAP_HIGH 0.183 0.2 mazindol High-priority: Binding assay polythiazide→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.20) ranolazine leprosy GAP_HIGH 0.183 0.1875 phenmetrazine High-priority: Binding assay ranolazine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.19) amoxapine sclerosing_cholangitis GAP_HIGH 0.1829 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) benzatropine urinary_bladder_cancer GAP_HIGH 0.1829 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) fulvestrant migraine GAP_HIGH 0.1829 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in migraine cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) fluorometholone migraine GAP_HIGH 0.1829 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.50) medroxyprogesterone_acetate germ_cell_cancer GAP_HIGH 0.1829 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in germ_cell_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) raloxifene refractive_error GAP_HIGH 0.1829 0.5 bimatoprost High-priority: Binding assay raloxifene→?; validate in refractive_error cell model. Expected: similar to bimatoprost (Jaccard=0.50) melphalan coronary_artery_disease GAP_HIGH 0.1829 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.47) isocarboxazid atherosclerosis GAP_HIGH 0.1829 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.38) latanoprost muscle_cancer GAP_HIGH 0.1829 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) propofol crohns_disease GAP_HIGH 0.1829 0.3 methdilazine High-priority: Binding assay propofol→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.30) dronedarone prostate_cancer GAP_HIGH 0.1829 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in prostate_cancer cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) nelarabine germ_cell_cancer GAP_HIGH 0.1829 0.25 gemcitabine High-priority: Binding assay nelarabine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) talbutal head_and_neck_cancer GAP_HIGH 0.1829 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in head_and_neck_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) arbutamine epilepsy_syndrome GAP_HIGH 0.1828 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in epilepsy_syndrome cell model. Expected: similar to masoprocol (Jaccard=0.53) eplerenone hypertension GAP_HIGH 0.1828 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.50) vidarabine pancreatitis GAP_HIGH 0.1828 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.47) ethynodiol sclerosing_cholangitis GAP_HIGH 0.1828 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in sclerosing_cholangitis cell model. Expected: similar to dydrogesterone (Jaccard=0.47) phenindione membranous_glomerulonephritis GAP_HIGH 0.1828 0.45454545454545453 clomipramine High-priority: Binding assay phenindione→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.45) atenolol atherosclerosis GAP_HIGH 0.1828 0.4117647058823529 naproxen High-priority: Binding assay atenolol→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.41) estropipate rheumatoid_arthritis GAP_HIGH 0.1828 0.375 estrone High-priority: Binding assay estropipate→?; validate in rheumatoid_arthritis cell model. Expected: similar to estrone (Jaccard=0.38) glipizide celiac_disease GAP_HIGH 0.1828 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) latanoprost lung_cancer GAP_HIGH 0.1828 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) latanoprost rectum_cancer GAP_HIGH 0.1828 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) talbutal kidney_cancer GAP_HIGH 0.1828 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in kidney_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) amoxapine membranous_glomerulonephritis GAP_HIGH 0.1827 0.6 chlorprothixene High-priority: Binding assay amoxapine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.60) fosphenytoin muscle_cancer GAP_HIGH 0.1827 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) vismodegib kidney_cancer GAP_HIGH 0.1827 0.5714285714285714 sulfaphenazole High-priority: Binding assay vismodegib→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.57) probenecid creutzfeldt-jakob_disease GAP_HIGH 0.1827 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) diphemanil_methylsulfate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1827 0.5454545454545454 diethylstilbestrol High-priority: Binding assay diphemanil_methylsulfate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diethylstilbestrol (Jaccard=0.55) fulvestrant systemic_lupus_erythematosus GAP_HIGH 0.1827 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) vidarabine stomach_cancer GAP_HIGH 0.1827 0.4782608695652174 clofarabine High-priority: Binding assay vidarabine→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) ribavirin lung_cancer GAP_HIGH 0.1827 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in lung_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) ribavirin rectum_cancer GAP_HIGH 0.1827 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in rectum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) glimepiride restless_legs_syndrome GAP_HIGH 0.1827 0.2727272727272727 bezafibrate High-priority: Binding assay glimepiride→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.27) talbutal nephrolithiasis GAP_HIGH 0.1827 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in nephrolithiasis cell model. Expected: similar to pantoprazole (Jaccard=0.25) amoxapine testicular_cancer GAP_HIGH 0.1826 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in testicular_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine vaginal_cancer GAP_HIGH 0.1826 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in vaginal_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) amoxapine vulva_cancer GAP_HIGH 0.1826 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in vulva_cancer cell model. Expected: similar to loxapine (Jaccard=0.64) fosphenytoin lung_cancer GAP_HIGH 0.1826 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) alverine esophageal_cancer GAP_HIGH 0.1826 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) chlorthalidone crohns_disease GAP_HIGH 0.1826 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.40) estropipate psoriatic_arthritis GAP_HIGH 0.1826 0.375 estrone High-priority: Binding assay estropipate→?; validate in psoriatic_arthritis cell model. Expected: similar to estrone (Jaccard=0.38) latanoprost liver_cancer GAP_HIGH 0.1826 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) epinephrine barretts_esophagus GAP_LOW 0.1826 0.0 pantoprazole Low-priority: Computational docking epinephrine vs barretts_esophagus targets. Cross-check epinephrine pharmacophore against barretts_esophagus pathway. nabumetone barretts_esophagus GAP_LOW 0.1826 0.0 pantoprazole Low-priority: Computational docking nabumetone vs barretts_esophagus targets. Cross-check nabumetone pharmacophore against barretts_esophagus pathway. fulvestrant osteoarthritis GAP_HIGH 0.1825 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in osteoarthritis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) methyltestosterone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1825 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) eplerenone migraine GAP_HIGH 0.1825 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.50) sulfanilamide migraine GAP_HIGH 0.1825 0.5 aminoglutethimide High-priority: Binding assay sulfanilamide→?; validate in migraine cell model. Expected: similar to aminoglutethimide (Jaccard=0.50) vidarabine lung_cancer GAP_HIGH 0.1825 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in lung_cancer cell model. Expected: similar to entecavir (Jaccard=0.47) vidarabine rectum_cancer GAP_HIGH 0.1825 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in rectum_cancer cell model. Expected: similar to entecavir (Jaccard=0.47) phenobarbital duodenum_cancer GAP_HIGH 0.1825 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) phenobarbital gallbladder_cancer GAP_HIGH 0.1825 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) doxorubicin autistic_disorder GAP_HIGH 0.1824 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.64) doxorubicin nicotine_dependence GAP_HIGH 0.1824 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.64) tranylcypromine rheumatoid_arthritis GAP_HIGH 0.1824 0.5555555555555556 probenecid High-priority: Binding assay tranylcypromine→?; validate in rheumatoid_arthritis cell model. Expected: similar to probenecid (Jaccard=0.56) arbutamine muscle_cancer GAP_HIGH 0.1824 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in muscle_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) alprazolam focal_segmental_glomerulosclerosis GAP_HIGH 0.1824 0.4166666666666667 clomipramine High-priority: Binding assay alprazolam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.42) flavin_adenine_dinucleotide stomach_cancer GAP_HIGH 0.1824 0.4 nelarabine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in stomach_cancer cell model. Expected: similar to nelarabine (Jaccard=0.40) latanoprost urinary_bladder_cancer GAP_HIGH 0.1824 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) dronedarone coronary_artery_disease GAP_HIGH 0.1824 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in coronary_artery_disease cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) polythiazide coronary_artery_disease GAP_HIGH 0.1824 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in coronary_artery_disease cell model. Expected: similar to nateglinide (Jaccard=0.26) polythiazide narcolepsy GAP_HIGH 0.1824 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in narcolepsy cell model. Expected: similar to nateglinide (Jaccard=0.26) methacholine mediastinal_cancer GAP_HIGH 0.1824 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in mediastinal_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) amoxapine systemic_scleroderma GAP_HIGH 0.1823 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in systemic_scleroderma cell model. Expected: similar to loxapine (Jaccard=0.64) dextroamphetamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1823 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phentermine (Jaccard=0.55) methyltestosterone mediastinal_cancer GAP_HIGH 0.1823 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate penile_cancer GAP_HIGH 0.1823 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in penile_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) arformoterol restless_legs_syndrome GAP_HIGH 0.1823 0.4 arbutamine High-priority: Binding assay arformoterol→?; validate in restless_legs_syndrome cell model. Expected: similar to arbutamine (Jaccard=0.40) moexipril dilated_cardiomyopathy GAP_HIGH 0.1823 0.3 trandolapril High-priority: Binding assay moexipril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.30) aminophenazone crohns_disease GAP_HIGH 0.1823 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in crohns_disease cell model. Expected: similar to clotrimazole (Jaccard=0.25) amphetamine bone_cancer GAP_HIGH 0.1823 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) loratadine dilated_cardiomyopathy GAP_HIGH 0.1823 0.25 milrinone High-priority: Binding assay loratadine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) methacholine thymus_cancer GAP_HIGH 0.1823 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in thymus_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) nitisinone chronic_kidney_failure GAP_HIGH 0.1823 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in chronic_kidney_failure cell model. Expected: similar to butenafine (Jaccard=0.17) acetylcysteine hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking acetylcysteine vs hypothyroidism targets. Cross-check acetylcysteine pharmacophore against hypothyroidism pathway. aminolevulinic_acid hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking aminolevulinic_acid vs hypothyroidism targets. Cross-check aminolevulinic_acid pharmacophore against hypothyroidism pathway. amobarbital hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking amobarbital vs hypothyroidism targets. Cross-check amobarbital pharmacophore against hypothyroidism pathway. caffeine hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking caffeine vs hypothyroidism targets. Cross-check caffeine pharmacophore against hypothyroidism pathway. dihomo-gamma-linolenic_acid hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking dihomo-gamma-linolenic_acid vs hypothyroidism targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against hypothyroidism pathway. lubiprostone hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking lubiprostone vs hypothyroidism targets. Cross-check lubiprostone pharmacophore against hypothyroidism pathway. penicillamine hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking penicillamine vs hypothyroidism targets. Cross-check penicillamine pharmacophore against hypothyroidism pathway. riboflavin hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking riboflavin vs hypothyroidism targets. Cross-check riboflavin pharmacophore against hypothyroidism pathway. sodium_tetradecyl_sulfate hypothyroidism GAP_LOW 0.1823 0.0 methimazole Low-priority: Computational docking sodium_tetradecyl_sulfate vs hypothyroidism targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against hypothyroidism pathway. amoxapine uterine_fibroid GAP_HIGH 0.1822 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in uterine_fibroid cell model. Expected: similar to loxapine (Jaccard=0.64) doxorubicin attention_deficit_hyperactivity_disorder GAP_HIGH 0.1822 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.64) clonazepam epilepsy_syndrome GAP_HIGH 0.1822 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in epilepsy_syndrome cell model. Expected: similar to amoxapine (Jaccard=0.62) fosphenytoin urinary_bladder_cancer GAP_HIGH 0.1822 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) crizotinib primary_biliary_cirrhosis GAP_HIGH 0.1822 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sunitinib (Jaccard=0.57) benzatropine uterine_cancer GAP_HIGH 0.1822 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) tranylcypromine psoriatic_arthritis GAP_HIGH 0.1822 0.5555555555555556 clofibrate High-priority: Binding assay tranylcypromine→?; validate in psoriatic_arthritis cell model. Expected: similar to clofibrate (Jaccard=0.56) methyltestosterone gout GAP_HIGH 0.1822 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in gout cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) arbutamine alzheimers_disease GAP_HIGH 0.1822 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in alzheimers_disease cell model. Expected: similar to masoprocol (Jaccard=0.53) furosemide systemic_scleroderma GAP_HIGH 0.1822 0.5 indapamide High-priority: Binding assay furosemide→?; validate in systemic_scleroderma cell model. Expected: similar to indapamide (Jaccard=0.50) ethynodiol thyroid_cancer GAP_HIGH 0.1822 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in thyroid_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.47) ketazolam kidney_cancer GAP_HIGH 0.1822 0.45 quinacrine High-priority: Binding assay ketazolam→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.45) propofol gout GAP_HIGH 0.1822 0.3 methdilazine High-priority: Binding assay propofol→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.30) amoxapine pancreatitis GAP_HIGH 0.1821 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in pancreatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) methyltestosterone thymus_cancer GAP_HIGH 0.1821 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) dimetindene testicular_cancer GAP_HIGH 0.1821 0.5 brompheniramine High-priority: Binding assay dimetindene→?; validate in testicular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) agomelatine narcolepsy GAP_HIGH 0.1821 0.4117647058823529 naproxen High-priority: Binding assay agomelatine→?; validate in narcolepsy cell model. Expected: similar to naproxen (Jaccard=0.41) ephedrine glaucoma GAP_HIGH 0.1821 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) benazepril alzheimers_disease GAP_HIGH 0.1821 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.33) benazepril parkinsons_disease GAP_HIGH 0.1821 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.33) methacholine hematologic_cancer GAP_HIGH 0.1821 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in hematologic_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) probenecid chronic_obstructive_pulmonary_disease GAP_HIGH 0.182 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid epilepsy_syndrome GAP_HIGH 0.182 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in epilepsy_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.56) fulvestrant systemic_scleroderma GAP_HIGH 0.182 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in systemic_scleroderma cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) methyltestosterone hematologic_cancer GAP_HIGH 0.182 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in hematologic_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) methadyl_acetate membranous_glomerulonephritis GAP_HIGH 0.182 0.5 promethazine High-priority: Binding assay methadyl_acetate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.50) vidarabine skin_cancer GAP_HIGH 0.182 0.4782608695652174 clofarabine High-priority: Binding assay vidarabine→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.48) prazepam metabolic_syndrome_x GAP_HIGH 0.182 0.3684210526315789 chlordiazepoxide High-priority: Binding assay prazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.37) methsuximide membranous_glomerulonephritis GAP_HIGH 0.182 0.34615384615384615 clomipramine High-priority: Binding assay methsuximide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.35) benazepril amyotrophic_lateral_sclerosis GAP_HIGH 0.182 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.33) aminolevulinic_acid autistic_disorder GAP_HIGH 0.182 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in autistic_disorder cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) aminolevulinic_acid nicotine_dependence GAP_HIGH 0.182 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in nicotine_dependence cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) amoxapine polycystic_ovary_syndrome GAP_HIGH 0.1819 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loxapine (Jaccard=0.64) doxorubicin conduct_disorder GAP_HIGH 0.1819 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.64) amoxapine muscle_cancer GAP_HIGH 0.1819 0.625 azelastine High-priority: Binding assay amoxapine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.62) alverine type_1_diabetes_mellitus GAP_HIGH 0.1819 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.55) ribavirin breast_cancer GAP_HIGH 0.1819 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) methsuximide narcolepsy GAP_HIGH 0.1819 0.35714285714285715 milnacipran High-priority: Binding assay methsuximide→?; validate in narcolepsy cell model. Expected: similar to milnacipran (Jaccard=0.36) latanoprost stomach_cancer GAP_HIGH 0.1819 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) aminophenazone prostate_cancer GAP_HIGH 0.1819 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) labetalol azoospermia GAP_HIGH 0.1819 0.25 aprindine High-priority: Binding assay labetalol→?; validate in azoospermia cell model. Expected: similar to aprindine (Jaccard=0.25) amoxapine vitiligo GAP_HIGH 0.1818 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in vitiligo cell model. Expected: similar to loxapine (Jaccard=0.64) doxorubicin hypertension GAP_HIGH 0.1818 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in hypertension cell model. Expected: similar to l-arginine (Jaccard=0.64) dextroamphetamine pancreatic_cancer GAP_HIGH 0.1818 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.55) arbutamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1818 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to masoprocol (Jaccard=0.53) methylprednisolone kidney_cancer GAP_HIGH 0.1818 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) cortisone_acetate dilated_cardiomyopathy GAP_HIGH 0.1818 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.46) ribavirin colon_cancer GAP_HIGH 0.1818 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) methsuximide duodenum_cancer GAP_HIGH 0.1818 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in duodenum_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide gallbladder_cancer GAP_HIGH 0.1818 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in gallbladder_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) allylestrenol dilated_cardiomyopathy GAP_HIGH 0.1818 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.33) loratadine ankylosing_spondylitis GAP_HIGH 0.1818 0.3333333333333333 azatadine High-priority: Binding assay loratadine→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.33) latanoprost pancreatic_cancer GAP_HIGH 0.1818 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) l-arginine leprosy GAP_HIGH 0.1818 0.21428571428571427 pomalidomide High-priority: Binding assay l-arginine→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.21) doxorubicin bipolar_disorder GAP_HIGH 0.1817 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.64) dextroamphetamine ulcerative_colitis GAP_HIGH 0.1817 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.55) methylprednisolone nephrolithiasis GAP_HIGH 0.1817 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.50) flurandrenolide penile_cancer GAP_HIGH 0.1817 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.46) chlorthalidone coronary_artery_disease GAP_HIGH 0.1817 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in coronary_artery_disease cell model. Expected: similar to oxaprozin (Jaccard=0.40) chlorthalidone narcolepsy GAP_HIGH 0.1817 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in narcolepsy cell model. Expected: similar to oxaprozin (Jaccard=0.40) flavin_adenine_dinucleotide skin_cancer GAP_HIGH 0.1817 0.4 nelarabine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in skin_cancer cell model. Expected: similar to nelarabine (Jaccard=0.40) ribavirin pancreatic_cancer GAP_HIGH 0.1817 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in pancreatic_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) ribavirin ulcerative_colitis GAP_HIGH 0.1817 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.40) latanoprost ulcerative_colitis GAP_HIGH 0.1817 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.30) aminophenazone mediastinal_cancer GAP_HIGH 0.1817 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) phenobarbital leprosy GAP_HIGH 0.1817 0.16666666666666666 phensuximide High-priority: Binding assay phenobarbital→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.17) doxorubicin endogenous_depression GAP_HIGH 0.1816 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.64) benzatropine vaginal_cancer GAP_HIGH 0.1816 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) benzatropine vulva_cancer GAP_HIGH 0.1816 0.5555555555555556 tamoxifen High-priority: Binding assay benzatropine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.56) fluorometholone restless_legs_syndrome GAP_HIGH 0.1816 0.5 medrysone High-priority: Binding assay fluorometholone→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.50) vidarabine pancreatic_cancer GAP_HIGH 0.1816 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in pancreatic_cancer cell model. Expected: similar to entecavir (Jaccard=0.47) mepenzolate membranous_glomerulonephritis GAP_HIGH 0.1816 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.40) ribavirin ovarian_cancer GAP_HIGH 0.1816 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.40) prazepam obesity GAP_HIGH 0.1816 0.3684210526315789 chlordiazepoxide High-priority: Binding assay prazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.37) l-arginine thyroid_cancer GAP_HIGH 0.1816 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) aminophenazone thymus_cancer GAP_HIGH 0.1816 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) quinestrol dilated_cardiomyopathy GAP_HIGH 0.1816 0.25 testosterone_propionate High-priority: Binding assay quinestrol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to testosterone_propionate (Jaccard=0.25) streptozocin leprosy GAP_HIGH 0.1816 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in leprosy cell model. Expected: similar to lenalidomide (Jaccard=0.20) clonazepam autistic_disorder GAP_HIGH 0.1815 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in autistic_disorder cell model. Expected: similar to amoxapine (Jaccard=0.62) clonazepam parkinsons_disease GAP_HIGH 0.1815 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in parkinsons_disease cell model. Expected: similar to amoxapine (Jaccard=0.62) benzphetamine celiac_disease GAP_HIGH 0.1815 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.60) bethanidine glaucoma GAP_HIGH 0.1815 0.55 phenylpropanolamine High-priority: Binding assay bethanidine→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.55) arbutamine colon_cancer GAP_HIGH 0.1815 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in colon_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) medroxyprogesterone_acetate meningioma GAP_HIGH 0.1815 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in meningioma cell model. Expected: similar to spironolactone (Jaccard=0.50) methylprednisolone celiac_disease GAP_HIGH 0.1815 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.50) vidarabine ulcerative_colitis GAP_HIGH 0.1815 0.47368421052631576 entecavir High-priority: Binding assay vidarabine→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.47) sulfanilamide nephrolithiasis GAP_HIGH 0.1815 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.45) clenbuterol glaucoma GAP_HIGH 0.1815 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) tropicamide crohns_disease GAP_HIGH 0.1815 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) aminolevulinic_acid conduct_disorder GAP_HIGH 0.1815 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in conduct_disorder cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) amiloride brain_cancer GAP_HIGH 0.1815 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) amiloride intracranial_aneurysm GAP_HIGH 0.1815 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in intracranial_aneurysm cell model. Expected: similar to dexamethasone (Jaccard=0.25) equilin crohns_disease GAP_HIGH 0.1815 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in crohns_disease cell model. Expected: similar to spironolactone (Jaccard=0.22) succinic_acid glaucoma GAP_HIGH 0.1815 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.17) azelastine gout GAP_HIGH 0.1814 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.67) amoxapine psoriatic_arthritis GAP_HIGH 0.1814 0.64 loxapine High-priority: Binding assay amoxapine→?; validate in psoriatic_arthritis cell model. Expected: similar to loxapine (Jaccard=0.64) bepridil gout GAP_HIGH 0.1814 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.62) bepridil primary_biliary_cirrhosis GAP_HIGH 0.1814 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.62) fosphenytoin sarcoma GAP_HIGH 0.1814 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.58) probenecid alzheimers_disease GAP_HIGH 0.1814 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid parkinsons_disease GAP_HIGH 0.1814 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.56) dextroamphetamine systemic_lupus_erythematosus GAP_HIGH 0.1814 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.55) fulvestrant rheumatoid_arthritis GAP_HIGH 0.1814 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in rheumatoid_arthritis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) l-citrulline epilepsy_syndrome GAP_HIGH 0.1814 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in epilepsy_syndrome cell model. Expected: similar to l-glutamine (Jaccard=0.51) doxapram thyroid_cancer GAP_HIGH 0.1814 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) methsuximide creutzfeldt-jakob_disease GAP_HIGH 0.1814 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to loxapine (Jaccard=0.36) aminolevulinic_acid hypertension GAP_HIGH 0.1814 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in hypertension cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) aminophenazone coronary_artery_disease GAP_HIGH 0.1814 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone hematologic_cancer GAP_HIGH 0.1814 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone narcolepsy GAP_HIGH 0.1814 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in narcolepsy cell model. Expected: similar to clotrimazole (Jaccard=0.25) spirapril larynx_cancer GAP_HIGH 0.1814 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) alpha-linolenic_acid obesity GAP_HIGH 0.1814 0.21428571428571427 sodium_tetradecyl_sulfate High-priority: Binding assay alpha-linolenic_acid→?; validate in obesity cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.21) probenecid amyotrophic_lateral_sclerosis GAP_HIGH 0.1813 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid autistic_disorder GAP_HIGH 0.1813 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid nicotine_dependence GAP_HIGH 0.1813 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.56) arbutamine endogenous_depression GAP_HIGH 0.1813 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in endogenous_depression cell model. Expected: similar to masoprocol (Jaccard=0.53) amphetamine head_and_neck_cancer GAP_HIGH 0.1813 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine malignant_glioma GAP_HIGH 0.1813 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.33) metaraminol celiac_disease GAP_HIGH 0.1813 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) aminolevulinic_acid bipolar_disorder GAP_HIGH 0.1813 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in bipolar_disorder cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) thiamylal leprosy GAP_LOW 0.1813 0.12195121951219512 phensuximide Low-priority: Computational docking thiamylal vs leprosy targets. Cross-check thiamylal pharmacophore against leprosy pathway. azelastine coronary_artery_disease GAP_HIGH 0.1812 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in coronary_artery_disease cell model. Expected: similar to methdilazine (Jaccard=0.67) fosphenytoin systemic_lupus_erythematosus GAP_HIGH 0.1812 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.58) dextroamphetamine skin_cancer GAP_HIGH 0.1812 0.5454545454545454 phentermine High-priority: Binding assay dextroamphetamine→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.55) methyltestosterone melanoma GAP_HIGH 0.1812 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in melanoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) arbutamine multiple_sclerosis GAP_HIGH 0.1812 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in multiple_sclerosis cell model. Expected: similar to masoprocol (Jaccard=0.53) arbutamine uterine_cancer GAP_HIGH 0.1812 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in uterine_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) eplerenone restless_legs_syndrome GAP_HIGH 0.1812 0.5 medrysone High-priority: Binding assay eplerenone→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.50) medroxyprogesterone_acetate crohns_disease GAP_HIGH 0.1812 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in crohns_disease cell model. Expected: similar to spironolactone (Jaccard=0.50) melphalan ankylosing_spondylitis GAP_HIGH 0.1812 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.47) aminolevulinic_acid endogenous_depression GAP_HIGH 0.1812 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in endogenous_depression cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) polythiazide creutzfeldt-jakob_disease GAP_HIGH 0.1812 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to nateglinide (Jaccard=0.26) solifenacin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1812 0.21428571428571427 propafenone High-priority: Binding assay solifenacin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.21) clonazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.1811 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) probenecid attention_deficit_hyperactivity_disorder GAP_HIGH 0.1811 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) fulvestrant psoriatic_arthritis GAP_HIGH 0.1811 0.5454545454545454 estradiol_valeratedienogest High-priority: Binding assay fulvestrant→?; validate in psoriatic_arthritis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.55) l-arginine muscle_cancer GAP_HIGH 0.1811 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) amphetamine nephrolithiasis GAP_HIGH 0.1811 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.33) benazepril multiple_sclerosis GAP_HIGH 0.1811 0.3333333333333333 moexipril High-priority: Binding assay benazepril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.33) equilin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1811 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to spironolactone (Jaccard=0.22) nitisinone azoospermia GAP_HIGH 0.1811 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in azoospermia cell model. Expected: similar to butenafine (Jaccard=0.17) clonazepam panic_disorder GAP_HIGH 0.181 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in panic_disorder cell model. Expected: similar to amoxapine (Jaccard=0.62) clonazepam schizophrenia GAP_HIGH 0.181 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in schizophrenia cell model. Expected: similar to amoxapine (Jaccard=0.62) fosphenytoin skin_cancer GAP_HIGH 0.181 0.5833333333333334 phenytoin High-priority: Binding assay fosphenytoin→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.58) vindesine larynx_cancer GAP_HIGH 0.181 0.375 vinblastine High-priority: Binding assay vindesine→?; validate in larynx_cancer cell model. Expected: similar to vinblastine (Jaccard=0.38) prazepam type_2_diabetes_mellitus GAP_HIGH 0.181 0.3684210526315789 chlordiazepoxide High-priority: Binding assay prazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.37) prazepam vitiligo GAP_HIGH 0.181 0.3684210526315789 chlordiazepoxide High-priority: Binding assay prazepam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.37) methsuximide ankylosing_spondylitis GAP_HIGH 0.181 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in ankylosing_spondylitis cell model. Expected: similar to loxapine (Jaccard=0.36) phenobarbital rectum_cancer GAP_HIGH 0.181 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) fludiazepam gout GAP_HIGH 0.1809 0.625 diazepam High-priority: Binding assay fludiazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.62) doxapram muscle_cancer GAP_HIGH 0.1809 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) latanoprost obesity GAP_HIGH 0.1809 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.30) sodium_tetradecyl_sulfate ocular_cancer GAP_HIGH 0.1809 0.1875 dihomo-gamma-linolenic_acid High-priority: Binding assay sodium_tetradecyl_sulfate→?; validate in ocular_cancer cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.19) nitisinone membranous_glomerulonephritis GAP_HIGH 0.1809 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to butenafine (Jaccard=0.17) quazepam leprosy GAP_LOW 0.1809 0.12195121951219512 phensuximide Low-priority: Computational docking quazepam vs leprosy targets. Cross-check quazepam pharmacophore against leprosy pathway. clonazepam bipolar_disorder GAP_HIGH 0.1808 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in bipolar_disorder cell model. Expected: similar to amoxapine (Jaccard=0.62) rimexolone metabolic_syndrome_x GAP_HIGH 0.1808 0.625 amcinonide High-priority: Binding assay rimexolone→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.62) crizotinib sclerosing_cholangitis GAP_HIGH 0.1808 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to sunitinib (Jaccard=0.57) probenecid panic_disorder GAP_HIGH 0.1808 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid schizophrenia GAP_HIGH 0.1808 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.56) l-citrulline parkinsons_disease GAP_HIGH 0.1808 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in parkinsons_disease cell model. Expected: similar to l-glutamine (Jaccard=0.51) lapatinib vitiligo GAP_HIGH 0.1808 0.5 docetaxel High-priority: Binding assay lapatinib→?; validate in vitiligo cell model. Expected: similar to docetaxel (Jaccard=0.50) medroxyprogesterone_acetate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1808 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to spironolactone (Jaccard=0.50) ethynodiol hypertension GAP_HIGH 0.1808 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in hypertension cell model. Expected: similar to dydrogesterone (Jaccard=0.47) methsuximide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1808 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loxapine (Jaccard=0.36) phenobarbital liver_cancer GAP_HIGH 0.1808 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) oxyphenonium focal_segmental_glomerulosclerosis GAP_HIGH 0.1808 0.25 thioridazine High-priority: Binding assay oxyphenonium→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to thioridazine (Jaccard=0.25) equilin gout GAP_HIGH 0.1808 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in gout cell model. Expected: similar to spironolactone (Jaccard=0.22) alpha-linolenic_acid type_2_diabetes_mellitus GAP_HIGH 0.1808 0.21428571428571427 sodium_tetradecyl_sulfate High-priority: Binding assay alpha-linolenic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.21) methdilazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1807 0.6666666666666666 azelastine High-priority: Binding assay methdilazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to azelastine (Jaccard=0.67) probenecid asthma GAP_HIGH 0.1807 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid atopic_dermatitis GAP_HIGH 0.1807 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid breast_cancer GAP_HIGH 0.1807 0.5555555555555556 phenmetrazine High-priority: Binding assay probenecid→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.56) probenecid conduct_disorder GAP_HIGH 0.1807 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid hypertension GAP_HIGH 0.1807 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.56) arbutamine osteoarthritis GAP_HIGH 0.1807 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in osteoarthritis cell model. Expected: similar to masoprocol (Jaccard=0.53) l-arginine peripheral_nervous_system_neoplasm GAP_HIGH 0.1807 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to thalidomide (Jaccard=0.36) l-arginine urinary_bladder_cancer GAP_HIGH 0.1807 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) caffeine glaucoma GAP_HIGH 0.1807 0.26666666666666666 l-carnitine High-priority: Binding assay caffeine→?; validate in glaucoma cell model. Expected: similar to l-carnitine (Jaccard=0.27) methohexital sclerosing_cholangitis GAP_HIGH 0.1807 0.2413793103448276 chlordiazepoxide High-priority: Binding assay methohexital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.24) clonazepam multiple_sclerosis GAP_HIGH 0.1806 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in multiple_sclerosis cell model. Expected: similar to amoxapine (Jaccard=0.62) probenecid allergic_rhinitis GAP_HIGH 0.1806 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) probenecid bipolar_disorder GAP_HIGH 0.1806 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.56) arbutamine testicular_cancer GAP_HIGH 0.1806 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in testicular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) arbutamine vaginal_cancer GAP_HIGH 0.1806 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in vaginal_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) arbutamine vulva_cancer GAP_HIGH 0.1806 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in vulva_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) l-citrulline peripheral_nervous_system_neoplasm GAP_HIGH 0.1806 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-glutamine (Jaccard=0.51) flurandrenolide crohns_disease GAP_HIGH 0.1806 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.46) ephedrine celiac_disease GAP_HIGH 0.1806 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) diclofenamide urinary_bladder_cancer GAP_HIGH 0.1806 0.3333333333333333 hydrochlorothiazide High-priority: Binding assay diclofenamide→?; validate in urinary_bladder_cancer cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.33) mephentermine primary_biliary_cirrhosis GAP_HIGH 0.1806 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) tropicamide coronary_artery_disease GAP_HIGH 0.1806 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) polythiazide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1806 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nateglinide (Jaccard=0.26) aminophenazone melanoma GAP_HIGH 0.1806 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.25) benazepril dilated_cardiomyopathy GAP_HIGH 0.1806 0.2222222222222222 trandolapril High-priority: Binding assay benazepril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.22) equilin hematologic_cancer GAP_HIGH 0.1806 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in hematologic_cancer cell model. Expected: similar to spironolactone (Jaccard=0.22) methacholine pharynx_cancer GAP_HIGH 0.1806 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in pharynx_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) choline barretts_esophagus GAP_LOW 0.1806 0.0 pantoprazole Low-priority: Computational docking choline vs barretts_esophagus targets. Cross-check choline pharmacophore against barretts_esophagus pathway. gliclazide barretts_esophagus GAP_LOW 0.1806 0.0 pantoprazole Low-priority: Computational docking gliclazide vs barretts_esophagus targets. Cross-check gliclazide pharmacophore against barretts_esophagus pathway. loratadine barretts_esophagus GAP_LOW 0.1806 0.0 pantoprazole Low-priority: Computational docking loratadine vs barretts_esophagus targets. Cross-check loratadine pharmacophore against barretts_esophagus pathway. tolazamide barretts_esophagus GAP_LOW 0.1806 0.0 pantoprazole Low-priority: Computational docking tolazamide vs barretts_esophagus targets. Cross-check tolazamide pharmacophore against barretts_esophagus pathway. phenprocoumon crohns_disease GAP_HIGH 0.1805 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in crohns_disease cell model. Expected: similar to atomoxetine (Jaccard=0.60) probenecid endogenous_depression GAP_HIGH 0.1805 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.56) methyltestosterone pharynx_cancer GAP_HIGH 0.1805 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in pharynx_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) arbutamine vascular_cancer GAP_HIGH 0.1805 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in vascular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.53) medroxyprogesterone_acetate gout GAP_HIGH 0.1805 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in gout cell model. Expected: similar to spironolactone (Jaccard=0.50) ethynodiol migraine GAP_HIGH 0.1805 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in migraine cell model. Expected: similar to dydrogesterone (Jaccard=0.47) ethynodiol sarcoma GAP_HIGH 0.1805 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in sarcoma cell model. Expected: similar to dydrogesterone (Jaccard=0.47) doxapram urinary_bladder_cancer GAP_HIGH 0.1805 0.36363636363636365 isopropamide High-priority: Binding assay doxapram→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) hydrochlorothiazide pharynx_cancer GAP_HIGH 0.1805 0.3333333333333333 diclofenamide High-priority: Binding assay hydrochlorothiazide→?; validate in pharynx_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.33) mephentermine gout GAP_HIGH 0.1805 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.33) bimatoprost ankylosing_spondylitis GAP_HIGH 0.1805 0.2727272727272727 azatadine High-priority: Binding assay bimatoprost→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.27) amiloride kidney_cancer GAP_HIGH 0.1805 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) azelastine duodenum_cancer GAP_HIGH 0.1804 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in duodenum_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) azelastine gallbladder_cancer GAP_HIGH 0.1804 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in gallbladder_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) amoxapine systemic_lupus_erythematosus GAP_HIGH 0.1804 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) rimexolone obesity GAP_HIGH 0.1804 0.625 amcinonide High-priority: Binding assay rimexolone→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.62) probenecid multiple_sclerosis GAP_HIGH 0.1804 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.56) medroxyprogesterone_acetate coronary_artery_disease GAP_HIGH 0.1804 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in coronary_artery_disease cell model. Expected: similar to spironolactone (Jaccard=0.50) methacholine thyroid_cancer GAP_HIGH 0.1804 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in thyroid_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) equilin leprosy GAP_LOW 0.1804 0.1111111111111111 menadione Low-priority: Computational docking equilin vs leprosy targets. Cross-check equilin pharmacophore against leprosy pathway. doxorubicin restless_legs_syndrome GAP_HIGH 0.1803 0.6363636363636364 l-arginine High-priority: Binding assay doxorubicin→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.64) amoxapine metabolic_syndrome_x GAP_HIGH 0.1803 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) bepridil duodenum_cancer GAP_HIGH 0.1803 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.62) bepridil gallbladder_cancer GAP_HIGH 0.1803 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.62) bepridil melanoma GAP_HIGH 0.1803 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.62) prednisone dilated_cardiomyopathy GAP_HIGH 0.1803 0.5714285714285714 hydrocortisone High-priority: Binding assay prednisone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to hydrocortisone (Jaccard=0.57) diphemanil_methylsulfate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1803 0.5454545454545454 diethylstilbestrol High-priority: Binding assay diphemanil_methylsulfate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to diethylstilbestrol (Jaccard=0.55) methyltestosterone ankylosing_spondylitis GAP_HIGH 0.1803 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in ankylosing_spondylitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate hematologic_cancer GAP_HIGH 0.1803 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in hematologic_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) zafirlukast kidney_cancer GAP_HIGH 0.1803 0.4117647058823529 gliclazide High-priority: Binding assay zafirlukast→?; validate in kidney_cancer cell model. Expected: similar to gliclazide (Jaccard=0.41) pralatrexate hepatitis_b GAP_HIGH 0.1803 0.3333333333333333 trifluridine High-priority: Binding assay pralatrexate→?; validate in hepatitis_b cell model. Expected: similar to trifluridine (Jaccard=0.33) latanoprost polycystic_ovary_syndrome GAP_HIGH 0.1803 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.30) latanoprost type_2_diabetes_mellitus GAP_HIGH 0.1803 0.3 raloxifene High-priority: Binding assay latanoprost→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.30) clenbuterol lymphatic_system_cancer GAP_HIGH 0.1803 0.2608695652173913 glucosamine High-priority: Binding assay clenbuterol→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.26) benzthiazide azoospermia GAP_HIGH 0.1803 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.25) diazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.1802 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.62) bethanidine refractive_error GAP_HIGH 0.1802 0.55 phenylpropanolamine High-priority: Binding assay bethanidine→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.55) methyltestosterone thyroid_cancer GAP_HIGH 0.1802 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in thyroid_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) arbutamine uterine_fibroid GAP_HIGH 0.1802 0.5333333333333333 masoprocol High-priority: Binding assay arbutamine→?; validate in uterine_fibroid cell model. Expected: similar to masoprocol (Jaccard=0.53) ribavirin polycystic_ovary_syndrome GAP_HIGH 0.1802 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.40) ribavirin vitiligo GAP_HIGH 0.1802 0.4 lamivudine High-priority: Binding assay ribavirin→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.40) zafirlukast atherosclerosis GAP_HIGH 0.1802 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.38) l-arginine stomach_cancer GAP_HIGH 0.1802 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) methsuximide lung_cancer GAP_HIGH 0.1802 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in lung_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide rectum_cancer GAP_HIGH 0.1802 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in rectum_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) hydrochlorothiazide thyroid_cancer GAP_HIGH 0.1802 0.3333333333333333 diclofenamide High-priority: Binding assay hydrochlorothiazide→?; validate in thyroid_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.33) talbutal penile_cancer GAP_HIGH 0.1802 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in penile_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) phenprocoumon idiopathic_pulmonary_fibrosis GAP_HIGH 0.1801 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.60) bethanidine systemic_lupus_erythematosus GAP_HIGH 0.1801 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenelzine (Jaccard=0.59) alverine celiac_disease GAP_HIGH 0.1801 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.55) l-citrulline breast_cancer GAP_HIGH 0.1801 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in breast_cancer cell model. Expected: similar to l-glutamine (Jaccard=0.51) methsuximide liver_cancer GAP_HIGH 0.1801 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in liver_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide parkinsons_disease GAP_HIGH 0.1801 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in parkinsons_disease cell model. Expected: similar to loxapine (Jaccard=0.36) clenbuterol celiac_disease GAP_HIGH 0.1801 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) flurandrenolide primary_biliary_cirrhosis GAP_HIGH 0.18 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.46) methsuximide amyotrophic_lateral_sclerosis GAP_HIGH 0.18 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide nicotine_dependence GAP_HIGH 0.18 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in nicotine_dependence cell model. Expected: similar to loxapine (Jaccard=0.36) phenobarbital ulcerative_colitis GAP_HIGH 0.18 0.3333333333333333 phenindione High-priority: Binding assay phenobarbital→?; validate in ulcerative_colitis cell model. Expected: similar to phenindione (Jaccard=0.33) methacholine salivary_gland_cancer GAP_HIGH 0.18 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in salivary_gland_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) amoxapine obesity GAP_HIGH 0.1799 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) bethanidine skin_cancer GAP_HIGH 0.1799 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in skin_cancer cell model. Expected: similar to phenelzine (Jaccard=0.59) crizotinib pancreatitis GAP_HIGH 0.1799 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in pancreatitis cell model. Expected: similar to sunitinib (Jaccard=0.57) l-arginine uterine_cancer GAP_HIGH 0.1799 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) phenobarbital uterine_cancer GAP_HIGH 0.1799 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) aminolevulinic_acid restless_legs_syndrome GAP_HIGH 0.1799 0.2857142857142857 aminocaproic_acid High-priority: Binding assay aminolevulinic_acid→?; validate in restless_legs_syndrome cell model. Expected: similar to aminocaproic_acid (Jaccard=0.29) benazepril larynx_cancer GAP_HIGH 0.1799 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) polythiazide alzheimers_disease GAP_HIGH 0.1799 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in alzheimers_disease cell model. Expected: similar to nateglinide (Jaccard=0.26) talbutal malignant_mesothelioma GAP_HIGH 0.1799 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in malignant_mesothelioma cell model. Expected: similar to pantoprazole (Jaccard=0.25) methacholine muscle_cancer GAP_HIGH 0.1799 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in muscle_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) methyltestosterone salivary_gland_cancer GAP_HIGH 0.1798 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in salivary_gland_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) l-citrulline migraine GAP_HIGH 0.1798 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in migraine cell model. Expected: similar to l-glutamine (Jaccard=0.51) l-citrulline ovarian_cancer GAP_HIGH 0.1798 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in ovarian_cancer cell model. Expected: similar to l-glutamine (Jaccard=0.51) flurandrenolide coronary_artery_disease GAP_HIGH 0.1798 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.46) l-arginine sarcoma GAP_HIGH 0.1798 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in sarcoma cell model. Expected: similar to thalidomide (Jaccard=0.36) l-ornithine systemic_lupus_erythematosus GAP_HIGH 0.1798 0.2727272727272727 penicillamine High-priority: Binding assay l-ornithine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.27) polythiazide nicotine_dependence GAP_HIGH 0.1798 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in nicotine_dependence cell model. Expected: similar to nateglinide (Jaccard=0.26) methyltestosterone muscle_cancer GAP_HIGH 0.1797 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in muscle_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) adenosine type_2_diabetes_mellitus GAP_HIGH 0.1797 0.36363636363636365 gemcitabine High-priority: Binding assay adenosine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.36) propofol prostate_cancer GAP_HIGH 0.1797 0.2857142857142857 azelastine High-priority: Binding assay propofol→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.29) aminophenazone thyroid_cancer GAP_HIGH 0.1797 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) methacholine ocular_cancer GAP_HIGH 0.1797 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in ocular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) azelastine ankylosing_spondylitis GAP_HIGH 0.1796 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in ankylosing_spondylitis cell model. Expected: similar to methdilazine (Jaccard=0.67) pirenzepine azoospermia GAP_HIGH 0.1796 0.6153846153846154 perphenazine High-priority: Binding assay pirenzepine→?; validate in azoospermia cell model. Expected: similar to perphenazine (Jaccard=0.62) phenprocoumon coronary_artery_disease GAP_HIGH 0.1796 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in coronary_artery_disease cell model. Expected: similar to atomoxetine (Jaccard=0.60) crizotinib lung_cancer GAP_HIGH 0.1796 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) methyltestosterone ocular_cancer GAP_HIGH 0.1796 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in ocular_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) cyproterone_acetate kidney_cancer GAP_HIGH 0.1796 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.42) agomelatine alzheimers_disease GAP_HIGH 0.1796 0.4117647058823529 naproxen High-priority: Binding assay agomelatine→?; validate in alzheimers_disease cell model. Expected: similar to naproxen (Jaccard=0.41) chlorthalidone pancreatitis GAP_HIGH 0.1796 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in pancreatitis cell model. Expected: similar to oxaprozin (Jaccard=0.40) loratadine metabolic_syndrome_x GAP_HIGH 0.1796 0.3333333333333333 azatadine High-priority: Binding assay loratadine→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.33) polythiazide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1796 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to nateglinide (Jaccard=0.26) crizotinib liver_cancer GAP_HIGH 0.1795 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in liver_cancer cell model. Expected: similar to sunitinib (Jaccard=0.57) benzatropine focal_segmental_glomerulosclerosis GAP_HIGH 0.1795 0.5 promethazine High-priority: Binding assay benzatropine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.50) medroxyprogesterone_acetate melanoma GAP_HIGH 0.1795 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in melanoma cell model. Expected: similar to spironolactone (Jaccard=0.50) lamivudine acquired_immunodeficiency_syndrome GAP_HIGH 0.1795 0.45 regadenoson High-priority: Binding assay lamivudine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to regadenoson (Jaccard=0.45) cyproterone_acetate nephrolithiasis GAP_HIGH 0.1795 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.42) methsuximide asthma GAP_HIGH 0.1795 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in asthma cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide conduct_disorder GAP_HIGH 0.1795 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in conduct_disorder cell model. Expected: similar to loxapine (Jaccard=0.36) ritodrine pharynx_cancer GAP_HIGH 0.1795 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in pharynx_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) estropipate mediastinal_cancer GAP_HIGH 0.1795 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) mephentermine duodenum_cancer GAP_HIGH 0.1795 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in duodenum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) mephentermine gallbladder_cancer GAP_HIGH 0.1795 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) mephentermine melanoma GAP_HIGH 0.1795 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in melanoma cell model. Expected: similar to cyclandelate (Jaccard=0.33) caffeine refractive_error GAP_HIGH 0.1795 0.26666666666666666 l-carnitine High-priority: Binding assay caffeine→?; validate in refractive_error cell model. Expected: similar to l-carnitine (Jaccard=0.27) azelastine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1794 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to methdilazine (Jaccard=0.67) pirenzepine membranous_glomerulonephritis GAP_HIGH 0.1794 0.6153846153846154 perphenazine High-priority: Binding assay pirenzepine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to perphenazine (Jaccard=0.62) melphalan multiple_sclerosis GAP_HIGH 0.1794 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.47) melphalan psoriasis GAP_HIGH 0.1794 0.4666666666666667 suprofen High-priority: Binding assay melphalan→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.47) ephedrine azoospermia GAP_HIGH 0.1794 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) methsuximide allergic_rhinitis GAP_HIGH 0.1794 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in allergic_rhinitis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide atopic_dermatitis GAP_HIGH 0.1794 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in atopic_dermatitis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide hypertension GAP_HIGH 0.1794 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in hypertension cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide stomach_cancer GAP_HIGH 0.1794 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in stomach_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) amphetamine membranous_glomerulonephritis GAP_HIGH 0.1794 0.3333333333333333 adefovir_dipivoxil High-priority: Binding assay amphetamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.33) estropipate thymus_cancer GAP_HIGH 0.1794 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) glipizide crohns_disease GAP_HIGH 0.1794 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) tropicamide sclerosing_cholangitis GAP_HIGH 0.1794 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) caffeine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1794 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dyphylline (Jaccard=0.29) aminophenazone pancreatitis GAP_HIGH 0.1794 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in pancreatitis cell model. Expected: similar to clotrimazole (Jaccard=0.25) spirapril esophageal_cancer GAP_HIGH 0.1794 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) equilin sclerosing_cholangitis GAP_HIGH 0.1794 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in sclerosing_cholangitis cell model. Expected: similar to spironolactone (Jaccard=0.22) methacholine urinary_bladder_cancer GAP_HIGH 0.1794 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in urinary_bladder_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) alpha-linolenic_acid gestational_diabetes GAP_LOW 0.1794 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs gestational_diabetes targets. Cross-check alpha-linolenic_acid pharmacophore against gestational_diabetes pathway. methotrimeprazine systemic_lupus_erythematosus GAP_HIGH 0.1793 0.6923076923076923 thioproperazine High-priority: Binding assay methotrimeprazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to thioproperazine (Jaccard=0.69) amoxapine type_2_diabetes_mellitus GAP_HIGH 0.1793 0.625 chlordiazepoxide High-priority: Binding assay amoxapine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.62) clonazepam restless_legs_syndrome GAP_HIGH 0.1793 0.625 amoxapine High-priority: Binding assay clonazepam→?; validate in restless_legs_syndrome cell model. Expected: similar to amoxapine (Jaccard=0.62) l-citrulline osteoarthritis GAP_HIGH 0.1793 0.5058823529411764 l-glutamine High-priority: Binding assay l-citrulline→?; validate in osteoarthritis cell model. Expected: similar to l-glutamine (Jaccard=0.51) ethynodiol restless_legs_syndrome GAP_HIGH 0.1793 0.4666666666666667 dydrogesterone High-priority: Binding assay ethynodiol→?; validate in restless_legs_syndrome cell model. Expected: similar to dydrogesterone (Jaccard=0.47) cyproterone_acetate celiac_disease GAP_HIGH 0.1793 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.42) l-arginine testicular_cancer GAP_HIGH 0.1793 0.36363636363636365 thalidomide High-priority: Binding assay l-arginine→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.36) methsuximide pancreatic_cancer GAP_HIGH 0.1793 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in pancreatic_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) flavin_adenine_dinucleotide hepatitis_b GAP_HIGH 0.1793 0.3333333333333333 adenosine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in hepatitis_b cell model. Expected: similar to adenosine (Jaccard=0.33) phenobarbital vaginal_cancer GAP_HIGH 0.1793 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) phenobarbital vulva_cancer GAP_HIGH 0.1793 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.33) polythiazide asthma GAP_HIGH 0.1793 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in asthma cell model. Expected: similar to nateglinide (Jaccard=0.26) polythiazide breast_cancer GAP_HIGH 0.1793 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in breast_cancer cell model. Expected: similar to nateglinide (Jaccard=0.26) talbutal meningioma GAP_HIGH 0.1793 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in meningioma cell model. Expected: similar to pantoprazole (Jaccard=0.25) methyltestosterone peripheral_nervous_system_neoplasm GAP_HIGH 0.1792 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate sclerosing_cholangitis GAP_HIGH 0.1792 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in sclerosing_cholangitis cell model. Expected: similar to spironolactone (Jaccard=0.50) methsuximide psoriasis GAP_HIGH 0.1792 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in psoriasis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide ulcerative_colitis GAP_HIGH 0.1792 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in ulcerative_colitis cell model. Expected: similar to loxapine (Jaccard=0.36) ritodrine epilepsy_syndrome GAP_HIGH 0.1792 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in epilepsy_syndrome cell model. Expected: similar to masoprocol (Jaccard=0.36) methsuximide coronary_artery_disease GAP_HIGH 0.1792 0.34615384615384615 clomipramine High-priority: Binding assay methsuximide→?; validate in coronary_artery_disease cell model. Expected: similar to clomipramine (Jaccard=0.35) amphetamine germ_cell_cancer GAP_HIGH 0.1792 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) mephentermine sclerosing_cholangitis GAP_HIGH 0.1792 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) propofol hematologic_cancer GAP_HIGH 0.1792 0.2857142857142857 azelastine High-priority: Binding assay propofol→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.29) butabarbital sclerosing_cholangitis GAP_HIGH 0.1792 0.28 chlordiazepoxide High-priority: Binding assay butabarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) l-ornithine systemic_scleroderma GAP_HIGH 0.1792 0.2727272727272727 penicillamine High-priority: Binding assay l-ornithine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.27) polythiazide allergic_rhinitis GAP_HIGH 0.1792 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in allergic_rhinitis cell model. Expected: similar to nateglinide (Jaccard=0.26) polythiazide atopic_dermatitis GAP_HIGH 0.1792 0.2631578947368421 nateglinide High-priority: Binding assay polythiazide→?; validate in atopic_dermatitis cell model. Expected: similar to nateglinide (Jaccard=0.26) aminophenazone muscle_cancer GAP_HIGH 0.1792 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) amitriptyline endogenous_depression GAP_HIGH 0.1791 0.75 doxepin High-priority: Binding assay amitriptyline→?; validate in endogenous_depression cell model. Expected: similar to doxepin (Jaccard=0.75) methylprednisolone penile_cancer GAP_HIGH 0.1791 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.50) methsuximide multiple_sclerosis GAP_HIGH 0.1791 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in multiple_sclerosis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide osteoporosis GAP_HIGH 0.1791 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in osteoporosis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide uterine_cancer GAP_HIGH 0.1791 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in uterine_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) butabarbital malignant_mesothelioma GAP_HIGH 0.1791 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.27) aminophenazone lung_cancer GAP_HIGH 0.1791 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) alpha-linolenic_acid pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking alpha-linolenic_acid vs pagets_disease_of_bone targets. Cross-check alpha-linolenic_acid pharmacophore against pagets_disease_of_bone pathway. dronedarone pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking dronedarone vs pagets_disease_of_bone targets. Cross-check dronedarone pharmacophore against pagets_disease_of_bone pathway. l-cystine pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking l-cystine vs pagets_disease_of_bone targets. Cross-check l-cystine pharmacophore against pagets_disease_of_bone pathway. orlistat pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking orlistat vs pagets_disease_of_bone targets. Cross-check orlistat pharmacophore against pagets_disease_of_bone pathway. sodium_lauryl_sulfate pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking sodium_lauryl_sulfate vs pagets_disease_of_bone targets. Cross-check sodium_lauryl_sulfate pharmacophore against pagets_disease_of_bone pathway. succinic_acid pagets_disease_of_bone GAP_LOW 0.1791 0.0 ibandronate Low-priority: Computational docking succinic_acid vs pagets_disease_of_bone targets. Cross-check succinic_acid pharmacophore against pagets_disease_of_bone pathway. amitriptyline migraine GAP_HIGH 0.179 0.75 doxepin High-priority: Binding assay amitriptyline→?; validate in migraine cell model. Expected: similar to doxepin (Jaccard=0.75) amitriptyline multiple_sclerosis GAP_HIGH 0.179 0.75 doxepin High-priority: Binding assay amitriptyline→?; validate in multiple_sclerosis cell model. Expected: similar to doxepin (Jaccard=0.75) fluticasone_propionate celiac_disease GAP_HIGH 0.179 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in celiac_disease cell model. Expected: similar to fluocinonide (Jaccard=0.58) clonazepam chronic_kidney_failure GAP_HIGH 0.179 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) probenecid vitiligo GAP_HIGH 0.179 0.5555555555555556 tranylcypromine High-priority: Binding assay probenecid→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.56) methamphetamine crohns_disease GAP_HIGH 0.179 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.55) sulfanilamide penile_cancer GAP_HIGH 0.179 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) agomelatine breast_cancer GAP_HIGH 0.179 0.4117647058823529 naproxen High-priority: Binding assay agomelatine→?; validate in breast_cancer cell model. Expected: similar to naproxen (Jaccard=0.41) diphenidol esophageal_cancer GAP_HIGH 0.179 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) pemetrexed hepatitis_b GAP_HIGH 0.179 0.3333333333333333 trifluridine High-priority: Binding assay pemetrexed→?; validate in hepatitis_b cell model. Expected: similar to trifluridine (Jaccard=0.33) oxyphenonium kidney_cancer GAP_HIGH 0.179 0.25 clofibrate High-priority: Binding assay oxyphenonium→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.25) cinchocaine prostate_cancer GAP_HIGH 0.1789 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in prostate_cancer cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) halazepam duodenum_cancer GAP_HIGH 0.1789 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam gallbladder_cancer GAP_HIGH 0.1789 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) phenobarbital uterine_fibroid GAP_HIGH 0.1789 0.3333333333333333 chlorprothixene High-priority: Binding assay phenobarbital→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.33) dronedarone migraine GAP_HIGH 0.1789 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in migraine cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) dronedarone osteoporosis GAP_HIGH 0.1789 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in osteoporosis cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) oxyphenonium nephrolithiasis GAP_HIGH 0.1789 0.25 probenecid High-priority: Binding assay oxyphenonium→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.25) equilin ankylosing_spondylitis GAP_HIGH 0.1789 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in ankylosing_spondylitis cell model. Expected: similar to spironolactone (Jaccard=0.22) methacholine breast_cancer GAP_HIGH 0.1789 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in breast_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) azelastine rectum_cancer GAP_HIGH 0.1788 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in rectum_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) bepridil lung_cancer GAP_HIGH 0.1788 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in lung_cancer cell model. Expected: similar to benzatropine (Jaccard=0.62) bepridil rectum_cancer GAP_HIGH 0.1788 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.62) methyltestosterone breast_cancer GAP_HIGH 0.1788 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in breast_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) alprazolam membranous_glomerulonephritis GAP_HIGH 0.1788 0.4166666666666667 clomipramine High-priority: Binding assay alprazolam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.42) tolazoline osteoporosis GAP_HIGH 0.1788 0.4 dextroamphetamine High-priority: Binding assay tolazoline→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.40) ritodrine muscle_cancer GAP_HIGH 0.1788 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in muscle_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) entecavir kidney_cancer GAP_HIGH 0.1788 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) cinchocaine leprosy GAP_HIGH 0.1788 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.30) clenbuterol azoospermia GAP_HIGH 0.1788 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) amitriptyline systemic_lupus_erythematosus GAP_HIGH 0.1787 0.75 doxepin High-priority: Binding assay amitriptyline→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to doxepin (Jaccard=0.75) azelastine liver_cancer GAP_HIGH 0.1787 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in liver_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) bethanidine rheumatoid_arthritis GAP_HIGH 0.1787 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in rheumatoid_arthritis cell model. Expected: similar to phenelzine (Jaccard=0.59) methyltestosterone allergic_rhinitis GAP_HIGH 0.1787 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in allergic_rhinitis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate ankylosing_spondylitis GAP_HIGH 0.1787 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in ankylosing_spondylitis cell model. Expected: similar to spironolactone (Jaccard=0.50) mepenzolate esophageal_cancer GAP_HIGH 0.1787 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) mephentermine ankylosing_spondylitis GAP_HIGH 0.1787 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) glipizide primary_biliary_cirrhosis GAP_HIGH 0.1787 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.32) clofibrate azoospermia GAP_HIGH 0.1787 0.3157894736842105 procaine High-priority: Binding assay clofibrate→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.32) entecavir nephrolithiasis GAP_HIGH 0.1787 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.31) dronedarone systemic_lupus_erythematosus GAP_HIGH 0.1787 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) aminophenazone urinary_bladder_cancer GAP_HIGH 0.1787 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in urinary_bladder_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) methacholine uterine_cancer GAP_HIGH 0.1787 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in uterine_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) olmesartan gestational_diabetes GAP_HIGH 0.1787 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in gestational_diabetes cell model. Expected: similar to tolbutamide (Jaccard=0.18) antipyrine barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking antipyrine vs barretts_esophagus targets. Cross-check antipyrine pharmacophore against barretts_esophagus pathway. colchicine barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking colchicine vs barretts_esophagus targets. Cross-check colchicine pharmacophore against barretts_esophagus pathway. dyphylline barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking dyphylline vs barretts_esophagus targets. Cross-check dyphylline pharmacophore against barretts_esophagus pathway. fenbufen barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking fenbufen vs barretts_esophagus targets. Cross-check fenbufen pharmacophore against barretts_esophagus pathway. ketazolam barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking ketazolam vs barretts_esophagus targets. Cross-check ketazolam pharmacophore against barretts_esophagus pathway. melatonin barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking melatonin vs barretts_esophagus targets. Cross-check melatonin pharmacophore against barretts_esophagus pathway. methsuximide barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking methsuximide vs barretts_esophagus targets. Cross-check methsuximide pharmacophore against barretts_esophagus pathway. midodrine barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking midodrine vs barretts_esophagus targets. Cross-check midodrine pharmacophore against barretts_esophagus pathway. moexipril barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking moexipril vs barretts_esophagus targets. Cross-check moexipril pharmacophore against barretts_esophagus pathway. polythiazide barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking polythiazide vs barretts_esophagus targets. Cross-check polythiazide pharmacophore against barretts_esophagus pathway. prazepam barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking prazepam vs barretts_esophagus targets. Cross-check prazepam pharmacophore against barretts_esophagus pathway. theophylline barretts_esophagus GAP_LOW 0.1787 0.0 pantoprazole Low-priority: Computational docking theophylline vs barretts_esophagus targets. Cross-check theophylline pharmacophore against barretts_esophagus pathway. bepridil liver_cancer GAP_HIGH 0.1786 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.62) methyltestosterone psoriasis GAP_HIGH 0.1786 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in psoriasis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate thyroid_cancer GAP_HIGH 0.1786 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in thyroid_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) flurandrenolide sclerosing_cholangitis GAP_HIGH 0.1786 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.46) phenindione malaria GAP_HIGH 0.1786 0.4 antipyrine High-priority: Binding assay phenindione→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.40) clotiazepam sclerosing_cholangitis GAP_HIGH 0.1786 0.375 fludiazepam High-priority: Binding assay clotiazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.38) methsuximide osteoarthritis GAP_HIGH 0.1786 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in osteoarthritis cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide vaginal_cancer GAP_HIGH 0.1786 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in vaginal_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide vulva_cancer GAP_HIGH 0.1786 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in vulva_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) amphetamine penile_cancer GAP_HIGH 0.1786 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) flavin_adenine_dinucleotide larynx_cancer GAP_HIGH 0.1786 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) dronedarone metabolic_syndrome_x GAP_HIGH 0.1786 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) talbutal prostate_cancer GAP_HIGH 0.1786 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in prostate_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) sodium_lauryl_sulfate coronary_artery_disease GAP_HIGH 0.1786 0.2222222222222222 moexipril High-priority: Binding assay sodium_lauryl_sulfate→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.22) aminophenazone hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking aminophenazone vs hypothyroidism targets. Cross-check aminophenazone pharmacophore against hypothyroidism pathway. aprobarbital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking aprobarbital vs hypothyroidism targets. Cross-check aprobarbital pharmacophore against hypothyroidism pathway. butabarbital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking butabarbital vs hypothyroidism targets. Cross-check butabarbital pharmacophore against hypothyroidism pathway. butethal hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking butethal vs hypothyroidism targets. Cross-check butethal pharmacophore against hypothyroidism pathway. clenbuterol hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking clenbuterol vs hypothyroidism targets. Cross-check clenbuterol pharmacophore against hypothyroidism pathway. heptabarbital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking heptabarbital vs hypothyroidism targets. Cross-check heptabarbital pharmacophore against hypothyroidism pathway. methohexital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking methohexital vs hypothyroidism targets. Cross-check methohexital pharmacophore against hypothyroidism pathway. pentobarbital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking pentobarbital vs hypothyroidism targets. Cross-check pentobarbital pharmacophore against hypothyroidism pathway. phenobarbital hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking phenobarbital vs hypothyroidism targets. Cross-check phenobarbital pharmacophore against hypothyroidism pathway. primidone hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking primidone vs hypothyroidism targets. Cross-check primidone pharmacophore against hypothyroidism pathway. quazepam hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking quazepam vs hypothyroidism targets. Cross-check quazepam pharmacophore against hypothyroidism pathway. talbutal hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking talbutal vs hypothyroidism targets. Cross-check talbutal pharmacophore against hypothyroidism pathway. tetracycline hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking tetracycline vs hypothyroidism targets. Cross-check tetracycline pharmacophore against hypothyroidism pathway. thiamylal hypothyroidism GAP_LOW 0.1786 0.0 methimazole Low-priority: Computational docking thiamylal vs hypothyroidism targets. Cross-check thiamylal pharmacophore against hypothyroidism pathway. bethanidine psoriatic_arthritis GAP_HIGH 0.1785 0.5909090909090909 phenelzine High-priority: Binding assay bethanidine→?; validate in psoriatic_arthritis cell model. Expected: similar to phenelzine (Jaccard=0.59) methyltestosterone multiple_sclerosis GAP_HIGH 0.1785 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in multiple_sclerosis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) cinchocaine coronary_artery_disease GAP_HIGH 0.1785 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in coronary_artery_disease cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) methsuximide testicular_cancer GAP_HIGH 0.1785 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in testicular_cancer cell model. Expected: similar to loxapine (Jaccard=0.36) ritodrine alzheimers_disease GAP_HIGH 0.1785 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in alzheimers_disease cell model. Expected: similar to masoprocol (Jaccard=0.36) hydrochlorothiazide uterine_cancer GAP_HIGH 0.1785 0.3333333333333333 diclofenamide High-priority: Binding assay hydrochlorothiazide→?; validate in uterine_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.33) glipizide coronary_artery_disease GAP_HIGH 0.1785 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.32) tropicamide pancreatitis GAP_HIGH 0.1785 0.3 pseudoephedrine High-priority: Binding assay tropicamide→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) talbutal mediastinal_cancer GAP_HIGH 0.1785 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in mediastinal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) bepridil peripheral_nervous_system_neoplasm GAP_HIGH 0.1784 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.62) phenprocoumon sclerosing_cholangitis GAP_HIGH 0.1784 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in sclerosing_cholangitis cell model. Expected: similar to atomoxetine (Jaccard=0.60) alverine germ_cell_cancer GAP_HIGH 0.1784 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) methyltestosterone sarcoma GAP_HIGH 0.1784 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in sarcoma cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) amphetamine malignant_mesothelioma GAP_HIGH 0.1784 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.33) moexipril acquired_immunodeficiency_syndrome GAP_HIGH 0.1784 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.30) dronedarone osteoarthritis GAP_HIGH 0.1784 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in osteoarthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) talbutal primary_biliary_cirrhosis GAP_HIGH 0.1784 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to pantoprazole (Jaccard=0.25) crizotinib systemic_lupus_erythematosus GAP_HIGH 0.1783 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.57) phenylephrine narcolepsy GAP_HIGH 0.1783 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in narcolepsy cell model. Expected: similar to metaraminol (Jaccard=0.43) diphenidol type_1_diabetes_mellitus GAP_HIGH 0.1783 0.4 benzatropine High-priority: Binding assay diphenidol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.40) diclofenamide rheumatoid_arthritis GAP_HIGH 0.1783 0.3333333333333333 hydrochlorothiazide High-priority: Binding assay diclofenamide→?; validate in rheumatoid_arthritis cell model. Expected: similar to hydrochlorothiazide (Jaccard=0.33) mephentermine pancreatitis GAP_HIGH 0.1783 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in pancreatitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) pentobarbital duodenum_cancer GAP_HIGH 0.1783 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital gallbladder_cancer GAP_HIGH 0.1783 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) bimatoprost metabolic_syndrome_x GAP_HIGH 0.1783 0.2727272727272727 azatadine High-priority: Binding assay bimatoprost→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.27) talbutal thymus_cancer GAP_HIGH 0.1783 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in thymus_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) quazepam gout GAP_HIGH 0.1783 0.23076923076923078 diazepam High-priority: Binding assay quazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.23) diazepam chronic_kidney_failure GAP_HIGH 0.1782 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to fludiazepam (Jaccard=0.62) methamphetamine coronary_artery_disease GAP_HIGH 0.1782 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.55) methyltestosterone systemic_lupus_erythematosus GAP_HIGH 0.1782 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) orphenadrine celiac_disease GAP_HIGH 0.1782 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) methsuximide systemic_scleroderma GAP_HIGH 0.1782 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in systemic_scleroderma cell model. Expected: similar to loxapine (Jaccard=0.36) aminophenazone colon_cancer GAP_HIGH 0.1782 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in colon_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone hypertension GAP_HIGH 0.1782 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in hypertension cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone stomach_cancer GAP_HIGH 0.1782 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) methacholine skin_cancer GAP_HIGH 0.1782 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in skin_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) methamphetamine narcolepsy GAP_HIGH 0.1781 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in narcolepsy cell model. Expected: similar to phentermine (Jaccard=0.55) medroxyprogesterone_acetate muscle_cancer GAP_HIGH 0.1781 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in muscle_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) methylprednisolone crohns_disease GAP_HIGH 0.1781 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.50) gliclazide osteoporosis GAP_HIGH 0.1781 0.47058823529411764 chlorpropamide High-priority: Binding assay gliclazide→?; validate in osteoporosis cell model. Expected: similar to chlorpropamide (Jaccard=0.47) fenbufen malaria GAP_HIGH 0.1781 0.38461538461538464 phenobarbital High-priority: Binding assay fenbufen→?; validate in malaria cell model. Expected: similar to phenobarbital (Jaccard=0.38) methsuximide uterine_fibroid GAP_HIGH 0.1781 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in uterine_fibroid cell model. Expected: similar to loxapine (Jaccard=0.36) remifentanil metabolic_syndrome_x GAP_HIGH 0.1781 0.3333333333333333 brompheniramine High-priority: Binding assay remifentanil→?; validate in metabolic_syndrome_x cell model. Expected: similar to brompheniramine (Jaccard=0.33) aminophenazone pancreatic_cancer GAP_HIGH 0.1781 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) methacholine vaginal_cancer GAP_HIGH 0.1781 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in vaginal_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) methacholine vulva_cancer GAP_HIGH 0.1781 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in vulva_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) nitisinone narcolepsy GAP_HIGH 0.1781 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in narcolepsy cell model. Expected: similar to butenafine (Jaccard=0.17) ethotoin barretts_esophagus GAP_LOW 0.1781 0.047619047619047616 pantoprazole Low-priority: Computational docking ethotoin vs barretts_esophagus targets. Cross-check ethotoin pharmacophore against barretts_esophagus pathway. azelastine stomach_cancer GAP_HIGH 0.178 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in stomach_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) benzphetamine crohns_disease GAP_HIGH 0.178 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.60) methyltestosterone osteoarthritis GAP_HIGH 0.178 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in osteoarthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) methyltestosterone skin_cancer GAP_HIGH 0.178 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in skin_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) mepenzolate duodenum_cancer GAP_HIGH 0.178 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in duodenum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) mepenzolate gallbladder_cancer GAP_HIGH 0.178 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in gallbladder_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) isoetarine atherosclerosis GAP_HIGH 0.178 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in atherosclerosis cell model. Expected: similar to carbidopa (Jaccard=0.38) mepenzolate type_1_diabetes_mellitus GAP_HIGH 0.178 0.375 benzatropine High-priority: Binding assay mepenzolate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.38) mephentermine lung_cancer GAP_HIGH 0.178 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) mephentermine rectum_cancer GAP_HIGH 0.178 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in rectum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) propofol skin_cancer GAP_HIGH 0.178 0.3 methdilazine High-priority: Binding assay propofol→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.30) dronedarone systemic_scleroderma GAP_HIGH 0.178 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in systemic_scleroderma cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) propofol sclerosing_cholangitis GAP_HIGH 0.178 0.2857142857142857 chlordiazepoxide High-priority: Binding assay propofol→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.29) aminophenazone multiple_sclerosis GAP_HIGH 0.178 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone osteoporosis GAP_HIGH 0.178 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone ovarian_cancer GAP_HIGH 0.178 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in ovarian_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.25) aminophenazone psoriasis GAP_HIGH 0.178 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.25) dextropropoxyphene esophageal_cancer GAP_HIGH 0.178 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) methacholine testicular_cancer GAP_HIGH 0.178 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in testicular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) sodium_lauryl_sulfate refractive_error GAP_HIGH 0.178 0.2 dihomo-gamma-linolenic_acid High-priority: Binding assay sodium_lauryl_sulfate→?; validate in refractive_error cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.20) dextrothyroxine prostate_cancer GAP_HIGH 0.178 0.16666666666666666 estriol High-priority: Binding assay dextrothyroxine→?; validate in prostate_cancer cell model. Expected: similar to estriol (Jaccard=0.17) baclofen gestational_diabetes GAP_HIGH 0.178 0.15384615384615385 gliquidone High-priority: Binding assay baclofen→?; validate in gestational_diabetes cell model. Expected: similar to gliquidone (Jaccard=0.15) azelastine pancreatic_cancer GAP_HIGH 0.1779 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in pancreatic_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) phenelzine hepatitis_b GAP_HIGH 0.1779 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.56) medroxyprogesterone_acetate ocular_cancer GAP_HIGH 0.1779 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in ocular_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) ritodrine colon_cancer GAP_HIGH 0.1779 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in colon_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) halazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1779 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.33) hydrochlorothiazide testicular_cancer GAP_HIGH 0.1779 0.3333333333333333 diclofenamide High-priority: Binding assay hydrochlorothiazide→?; validate in testicular_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.33) pentobarbital creutzfeldt-jakob_disease GAP_HIGH 0.1779 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clobazam (Jaccard=0.29) aminophenazone sarcoma GAP_HIGH 0.1779 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.25) methacholine vascular_cancer GAP_HIGH 0.1779 0.2 alclometasone High-priority: Binding assay methacholine→?; validate in vascular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.20) norepinephrine pagets_disease_of_bone GAP_HIGH 0.1779 0.16666666666666666 histamine_phosphate High-priority: Binding assay norepinephrine→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) azelastine ulcerative_colitis GAP_HIGH 0.1778 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in ulcerative_colitis cell model. Expected: similar to methdilazine (Jaccard=0.67) phenprocoumon chronic_obstructive_pulmonary_disease GAP_HIGH 0.1778 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to atomoxetine (Jaccard=0.60) gliclazide systemic_lupus_erythematosus GAP_HIGH 0.1778 0.47058823529411764 chlorpropamide High-priority: Binding assay gliclazide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorpropamide (Jaccard=0.47) methsuximide polycystic_ovary_syndrome GAP_HIGH 0.1778 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loxapine (Jaccard=0.36) amphetamine meningioma GAP_HIGH 0.1778 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.33) mephentermine liver_cancer GAP_HIGH 0.1778 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in liver_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol crohns_disease GAP_HIGH 0.1778 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in crohns_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) benazepril esophageal_cancer GAP_HIGH 0.1778 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benzthiazide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1778 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ritodrine (Jaccard=0.25) clenbuterol alcohol_dependence GAP_HIGH 0.1778 0.2 naloxone High-priority: Binding assay clenbuterol→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.20) azelastine osteoporosis GAP_HIGH 0.1777 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in osteoporosis cell model. Expected: similar to methdilazine (Jaccard=0.67) azelastine uterine_cancer GAP_HIGH 0.1777 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in uterine_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) clonidine focal_segmental_glomerulosclerosis GAP_HIGH 0.1777 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) alvimopan gout GAP_HIGH 0.1777 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.43) chlorthalidone skin_cancer GAP_HIGH 0.1777 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.40) clotiazepam pancreatitis GAP_HIGH 0.1777 0.375 fludiazepam High-priority: Binding assay clotiazepam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.38) methsuximide vitiligo GAP_HIGH 0.1777 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in vitiligo cell model. Expected: similar to loxapine (Jaccard=0.36) methsuximide obesity GAP_HIGH 0.1777 0.35714285714285715 milnacipran High-priority: Binding assay methsuximide→?; validate in obesity cell model. Expected: similar to milnacipran (Jaccard=0.36) estropipate pharynx_cancer GAP_HIGH 0.1777 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) glipizide duodenum_cancer GAP_HIGH 0.1777 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide gallbladder_cancer GAP_HIGH 0.1777 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide melanoma GAP_HIGH 0.1777 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.32) dronedarone restless_legs_syndrome GAP_HIGH 0.1777 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in restless_legs_syndrome cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) dronedarone hypertension GAP_HIGH 0.1777 0.2857142857142857 nilvadipine High-priority: Binding assay dronedarone→?; validate in hypertension cell model. Expected: similar to nilvadipine (Jaccard=0.29) aminophenazone systemic_lupus_erythematosus GAP_HIGH 0.1777 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.25) bepridil sarcoma GAP_HIGH 0.1776 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.62) crizotinib systemic_scleroderma GAP_HIGH 0.1776 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.57) alverine malignant_mesothelioma GAP_HIGH 0.1776 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.55) methyltestosterone systemic_scleroderma GAP_HIGH 0.1776 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in systemic_scleroderma cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate peripheral_nervous_system_neoplasm GAP_HIGH 0.1776 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to spironolactone (Jaccard=0.50) ritodrine multiple_sclerosis GAP_HIGH 0.1776 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in multiple_sclerosis cell model. Expected: similar to masoprocol (Jaccard=0.36) ritodrine uterine_cancer GAP_HIGH 0.1776 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in uterine_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) alcaftadine glaucoma GAP_HIGH 0.1776 0.3333333333333333 tafluprost High-priority: Binding assay alcaftadine→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.33) mephentermine peripheral_nervous_system_neoplasm GAP_HIGH 0.1776 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.33) pralatrexate esophageal_cancer GAP_HIGH 0.1776 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in esophageal_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) butabarbital mediastinal_cancer GAP_HIGH 0.1776 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) azelastine systemic_lupus_erythematosus GAP_HIGH 0.1775 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methdilazine (Jaccard=0.67) phenprocoumon pancreatitis GAP_HIGH 0.1775 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in pancreatitis cell model. Expected: similar to atomoxetine (Jaccard=0.60) chlorthalidone vascular_cancer GAP_HIGH 0.1775 0.4 oxaprozin High-priority: Binding assay chlorthalidone→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.40) methsuximide rheumatoid_arthritis GAP_HIGH 0.1775 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in rheumatoid_arthritis cell model. Expected: similar to loxapine (Jaccard=0.36) butabarbital thymus_cancer GAP_HIGH 0.1775 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) clenbuterol hepatitis_b GAP_HIGH 0.1775 0.2608695652173913 glucosamine High-priority: Binding assay clenbuterol→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.26) aminophenazone osteoarthritis GAP_HIGH 0.1775 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in osteoarthritis cell model. Expected: similar to clotrimazole (Jaccard=0.25) eprosartan type_1_diabetes_mellitus GAP_HIGH 0.1775 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tolbutamide (Jaccard=0.25) amitriptyline rheumatoid_arthritis GAP_HIGH 0.1774 0.75 doxepin High-priority: Binding assay amitriptyline→?; validate in rheumatoid_arthritis cell model. Expected: similar to doxepin (Jaccard=0.75) azelastine metabolic_syndrome_x GAP_HIGH 0.1774 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in metabolic_syndrome_x cell model. Expected: similar to methdilazine (Jaccard=0.67) benzphetamine primary_biliary_cirrhosis GAP_HIGH 0.1774 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.60) bromodiphenhydramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1774 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.50) methylprednisolone primary_biliary_cirrhosis GAP_HIGH 0.1774 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.50) halazepam lung_cancer GAP_HIGH 0.1774 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam rectum_cancer GAP_HIGH 0.1774 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) isradipine hypertension GAP_HIGH 0.1774 0.3333333333333333 nimodipine High-priority: Binding assay isradipine→?; validate in hypertension cell model. Expected: similar to nimodipine (Jaccard=0.33) aminophenazone testicular_cancer GAP_HIGH 0.1774 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in testicular_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) aminophenazone vaginal_cancer GAP_HIGH 0.1774 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in vaginal_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) aminophenazone vulva_cancer GAP_HIGH 0.1774 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in vulva_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) flutamide focal_segmental_glomerulosclerosis GAP_HIGH 0.1774 0.25 bumetanide High-priority: Binding assay flutamide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.25) talbutal melanoma GAP_HIGH 0.1774 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in melanoma cell model. Expected: similar to pantoprazole (Jaccard=0.25) labetalol lymphatic_system_cancer GAP_HIGH 0.1774 0.2 aciclovir High-priority: Binding assay labetalol→?; validate in lymphatic_system_cancer cell model. Expected: similar to aciclovir (Jaccard=0.20) methacholine esophageal_cancer GAP_HIGH 0.1774 0.16666666666666666 topotecan High-priority: Binding assay methacholine→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) azelastine skin_cancer GAP_HIGH 0.1773 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) fludiazepam ulcerative_colitis GAP_HIGH 0.1773 0.625 diazepam High-priority: Binding assay fludiazepam→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.62) benzphetamine gout GAP_HIGH 0.1773 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.60) benzatropine chronic_kidney_failure GAP_HIGH 0.1773 0.5 promethazine High-priority: Binding assay benzatropine→?; validate in chronic_kidney_failure cell model. Expected: similar to promethazine (Jaccard=0.50) methsuximide psoriatic_arthritis GAP_HIGH 0.1773 0.36 loxapine High-priority: Binding assay methsuximide→?; validate in psoriatic_arthritis cell model. Expected: similar to loxapine (Jaccard=0.36) glipizide sclerosing_cholangitis GAP_HIGH 0.1773 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) dronedarone rheumatoid_arthritis GAP_HIGH 0.1773 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in rheumatoid_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) benzthiazide narcolepsy GAP_HIGH 0.1773 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in narcolepsy cell model. Expected: similar to ritodrine (Jaccard=0.25) pyrimethamine azoospermia GAP_HIGH 0.1773 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in azoospermia cell model. Expected: similar to warfarin (Jaccard=0.25) dextropropoxyphene type_1_diabetes_mellitus GAP_HIGH 0.1773 0.2222222222222222 benzatropine High-priority: Binding assay dextropropoxyphene→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.22) equilin allergic_rhinitis GAP_HIGH 0.1773 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in allergic_rhinitis cell model. Expected: similar to spironolactone (Jaccard=0.22) labetalol type_1_diabetes_mellitus GAP_HIGH 0.1773 0.2222222222222222 lisinopril High-priority: Binding assay labetalol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.22) nitisinone larynx_cancer GAP_LOW 0.1773 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs larynx_cancer targets. Cross-check nitisinone pharmacophore against larynx_cancer pathway. azelastine vaginal_cancer GAP_HIGH 0.1772 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in vaginal_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) azelastine vulva_cancer GAP_HIGH 0.1772 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in vulva_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) methotrexate stomach_cancer GAP_HIGH 0.1772 0.6 pemetrexed High-priority: Binding assay methotrexate→?; validate in stomach_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.60) methylprednisolone coronary_artery_disease GAP_HIGH 0.1772 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.50) procarbazine azoospermia GAP_HIGH 0.1772 0.4375 naproxen High-priority: Binding assay procarbazine→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.44) ephedrine crohns_disease GAP_HIGH 0.1772 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) halazepam liver_cancer GAP_HIGH 0.1772 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) metaraminol gout GAP_HIGH 0.1772 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol primary_biliary_cirrhosis GAP_HIGH 0.1772 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) aminophenazone vascular_cancer GAP_HIGH 0.1772 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in vascular_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) flutamide type_1_diabetes_mellitus GAP_HIGH 0.1772 0.25 glyburide High-priority: Binding assay flutamide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.25) oxyphenonium membranous_glomerulonephritis GAP_HIGH 0.1772 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.25) spirapril head_and_neck_cancer GAP_HIGH 0.1772 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril malignant_glioma GAP_HIGH 0.1772 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.25) phenobarbital atherosclerosis GAP_HIGH 0.1772 0.2413793103448276 flurbiprofen High-priority: Binding assay phenobarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.24) equilin psoriasis GAP_HIGH 0.1772 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in psoriasis cell model. Expected: similar to spironolactone (Jaccard=0.22) azelastine testicular_cancer GAP_HIGH 0.1771 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in testicular_cancer cell model. Expected: similar to methdilazine (Jaccard=0.67) methyltestosterone vitiligo GAP_HIGH 0.1771 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in vitiligo cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate allergic_rhinitis GAP_HIGH 0.1771 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in allergic_rhinitis cell model. Expected: similar to spironolactone (Jaccard=0.50) gliclazide systemic_scleroderma GAP_HIGH 0.1771 0.47058823529411764 chlorpropamide High-priority: Binding assay gliclazide→?; validate in systemic_scleroderma cell model. Expected: similar to chlorpropamide (Jaccard=0.47) methsuximide type_2_diabetes_mellitus GAP_HIGH 0.1771 0.35714285714285715 milnacipran High-priority: Binding assay methsuximide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to milnacipran (Jaccard=0.36) ritodrine osteoarthritis GAP_HIGH 0.1771 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in osteoarthritis cell model. Expected: similar to masoprocol (Jaccard=0.36) amphetamine prostate_cancer GAP_HIGH 0.1771 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) estropipate salivary_gland_cancer GAP_HIGH 0.1771 0.3333333333333333 methimazole High-priority: Binding assay estropipate→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.33) hydrochlorothiazide vitiligo GAP_HIGH 0.1771 0.3333333333333333 diclofenamide High-priority: Binding assay hydrochlorothiazide→?; validate in vitiligo cell model. Expected: similar to diclofenamide (Jaccard=0.33) mephentermine colon_cancer GAP_HIGH 0.1771 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in colon_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) mephentermine stomach_cancer GAP_HIGH 0.1771 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in stomach_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) tenofovir multiple_sclerosis GAP_HIGH 0.1771 0.3125 clofarabine High-priority: Binding assay tenofovir→?; validate in multiple_sclerosis cell model. Expected: similar to clofarabine (Jaccard=0.31) dronedarone psoriatic_arthritis GAP_HIGH 0.1771 0.29411764705882354 oxybuprocaine High-priority: Binding assay dronedarone→?; validate in psoriatic_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.29) caffeine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1771 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dyphylline (Jaccard=0.29) equilin migraine GAP_HIGH 0.1771 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in migraine cell model. Expected: similar to spironolactone (Jaccard=0.22) equilin multiple_sclerosis GAP_HIGH 0.1771 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in multiple_sclerosis cell model. Expected: similar to spironolactone (Jaccard=0.22) tamoxifen breast_cancer GAP_HIGH 0.177 0.75 methadyl_acetate High-priority: Binding assay tamoxifen→?; validate in breast_cancer cell model. Expected: similar to methadyl_acetate (Jaccard=0.75) thalidomide hematologic_cancer GAP_HIGH 0.177 0.5 pomalidomide High-priority: Binding assay thalidomide→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.50) antazoline type_1_diabetes_mellitus GAP_HIGH 0.177 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.45) sulfanilamide hematologic_cancer GAP_HIGH 0.177 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide narcolepsy GAP_HIGH 0.177 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.45) dimetindene focal_segmental_glomerulosclerosis GAP_HIGH 0.177 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acepromazine (Jaccard=0.43) cyproterone_acetate penile_cancer GAP_HIGH 0.177 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.42) desogestrel kidney_cancer GAP_HIGH 0.177 0.3888888888888889 ethinyl_estradiol High-priority: Binding assay desogestrel→?; validate in kidney_cancer cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.39) ritodrine testicular_cancer GAP_HIGH 0.177 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in testicular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) ritodrine vaginal_cancer GAP_HIGH 0.177 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in vaginal_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) ritodrine vulva_cancer GAP_HIGH 0.177 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in vulva_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) methsuximide type_1_diabetes_mellitus GAP_HIGH 0.177 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.31) propofol muscle_cancer GAP_HIGH 0.177 0.2857142857142857 azelastine High-priority: Binding assay propofol→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.29) aminophenazone systemic_scleroderma GAP_HIGH 0.177 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.25) talbutal sclerosing_cholangitis GAP_HIGH 0.177 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in sclerosing_cholangitis cell model. Expected: similar to pantoprazole (Jaccard=0.25) clomipramine panic_disorder GAP_HIGH 0.1769 0.8181818181818182 chlorprothixene High-priority: Binding assay clomipramine→?; validate in panic_disorder cell model. Expected: similar to chlorprothixene (Jaccard=0.82) crizotinib rheumatoid_arthritis GAP_HIGH 0.1769 0.5714285714285714 sunitinib High-priority: Binding assay crizotinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to sunitinib (Jaccard=0.57) methyltestosterone rheumatoid_arthritis GAP_HIGH 0.1769 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in rheumatoid_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) medroxyprogesterone_acetate multiple_sclerosis GAP_HIGH 0.1769 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in multiple_sclerosis cell model. Expected: similar to spironolactone (Jaccard=0.50) medroxyprogesterone_acetate psoriasis GAP_HIGH 0.1769 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in psoriasis cell model. Expected: similar to spironolactone (Jaccard=0.50) raloxifene pharynx_cancer GAP_HIGH 0.1769 0.5 bimatoprost High-priority: Binding assay raloxifene→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.50) phenylephrine pharynx_cancer GAP_HIGH 0.1769 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in pharynx_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) stanozolol kidney_cancer GAP_HIGH 0.1769 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in kidney_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) ritodrine vascular_cancer GAP_HIGH 0.1769 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in vascular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) amphetamine mediastinal_cancer GAP_HIGH 0.1769 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) mephentermine osteoporosis GAP_HIGH 0.1769 0.3333333333333333 dextroamphetamine High-priority: Binding assay mephentermine→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.33) mephentermine ovarian_cancer GAP_HIGH 0.1769 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) aciclovir ulcerative_colitis GAP_HIGH 0.1769 0.25 ursodeoxycholic_acid High-priority: Binding assay aciclovir→?; validate in ulcerative_colitis cell model. Expected: similar to ursodeoxycholic_acid (Jaccard=0.25) aminophenazone uterine_fibroid GAP_HIGH 0.1769 0.25 clomifene High-priority: Binding assay aminophenazone→?; validate in uterine_fibroid cell model. Expected: similar to clomifene (Jaccard=0.25) nitisinone creutzfeldt-jakob_disease GAP_HIGH 0.1769 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to butenafine (Jaccard=0.17) desmopressin barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking desmopressin vs barretts_esophagus targets. Cross-check desmopressin pharmacophore against barretts_esophagus pathway. dopamine barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking dopamine vs barretts_esophagus targets. Cross-check dopamine pharmacophore against barretts_esophagus pathway. felypressin barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking felypressin vs barretts_esophagus targets. Cross-check felypressin pharmacophore against barretts_esophagus pathway. halazepam barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking halazepam vs barretts_esophagus targets. Cross-check halazepam pharmacophore against barretts_esophagus pathway. indomethacin barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking indomethacin vs barretts_esophagus targets. Cross-check indomethacin pharmacophore against barretts_esophagus pathway. norepinephrine barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking norepinephrine vs barretts_esophagus targets. Cross-check norepinephrine pharmacophore against barretts_esophagus pathway. oxyphenonium barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking oxyphenonium vs barretts_esophagus targets. Cross-check oxyphenonium pharmacophore against barretts_esophagus pathway. pasireotide barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking pasireotide vs barretts_esophagus targets. Cross-check pasireotide pharmacophore against barretts_esophagus pathway. ponatinib barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking ponatinib vs barretts_esophagus targets. Cross-check ponatinib pharmacophore against barretts_esophagus pathway. terlipressin barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking terlipressin vs barretts_esophagus targets. Cross-check terlipressin pharmacophore against barretts_esophagus pathway. treprostinil barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking treprostinil vs barretts_esophagus targets. Cross-check treprostinil pharmacophore against barretts_esophagus pathway. trifluridine barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking trifluridine vs barretts_esophagus targets. Cross-check trifluridine pharmacophore against barretts_esophagus pathway. vapreotide barretts_esophagus GAP_LOW 0.1769 0.0 pantoprazole Low-priority: Computational docking vapreotide vs barretts_esophagus targets. Cross-check vapreotide pharmacophore against barretts_esophagus pathway. phenytoin epilepsy_syndrome GAP_HIGH 0.1768 0.76 ethotoin High-priority: Binding assay phenytoin→?; validate in epilepsy_syndrome cell model. Expected: similar to ethotoin (Jaccard=0.76) medroxyprogesterone_acetate migraine GAP_HIGH 0.1768 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in migraine cell model. Expected: similar to spironolactone (Jaccard=0.50) medroxyprogesterone_acetate sarcoma GAP_HIGH 0.1768 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in sarcoma cell model. Expected: similar to spironolactone (Jaccard=0.50) stanozolol nephrolithiasis GAP_HIGH 0.1768 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in nephrolithiasis cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) vindesine malignant_glioma GAP_HIGH 0.1768 0.375 vinblastine High-priority: Binding assay vindesine→?; validate in malignant_glioma cell model. Expected: similar to vinblastine (Jaccard=0.38) amphetamine primary_biliary_cirrhosis GAP_HIGH 0.1768 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine thymus_cancer GAP_HIGH 0.1768 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) mephentermine sarcoma GAP_HIGH 0.1768 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in sarcoma cell model. Expected: similar to cyclandelate (Jaccard=0.33) glipizide ankylosing_spondylitis GAP_HIGH 0.1768 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) pentobarbital lung_cancer GAP_HIGH 0.1768 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital rectum_cancer GAP_HIGH 0.1768 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) ketazolam leprosy GAP_HIGH 0.1768 0.275 phensuximide High-priority: Binding assay ketazolam→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.28) azelastine uterine_fibroid GAP_HIGH 0.1767 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in uterine_fibroid cell model. Expected: similar to methdilazine (Jaccard=0.67) bepridil uterine_fibroid GAP_HIGH 0.1767 0.625 benzatropine High-priority: Binding assay bepridil→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.62) alverine crohns_disease GAP_HIGH 0.1767 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.55) methyltestosterone psoriatic_arthritis GAP_HIGH 0.1767 0.5454545454545454 cortisone_acetate High-priority: Binding assay methyltestosterone→?; validate in psoriatic_arthritis cell model. Expected: similar to cortisone_acetate (Jaccard=0.55) alvimopan duodenum_cancer GAP_HIGH 0.1767 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) alvimopan gallbladder_cancer GAP_HIGH 0.1767 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) pentobarbital alzheimers_disease GAP_HIGH 0.1767 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in alzheimers_disease cell model. Expected: similar to clobazam (Jaccard=0.29) talbutal pharynx_cancer GAP_HIGH 0.1767 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in pharynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) triamterene larynx_cancer GAP_HIGH 0.1767 0.25 vincristine High-priority: Binding assay triamterene→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) benazepril acquired_immunodeficiency_syndrome GAP_HIGH 0.1767 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.22) baclofen focal_segmental_glomerulosclerosis GAP_HIGH 0.1767 0.21212121212121213 fenoprofen High-priority: Binding assay baclofen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.21) medroxyprogesterone_acetate systemic_lupus_erythematosus GAP_HIGH 0.1766 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to spironolactone (Jaccard=0.50) phenylephrine thyroid_cancer GAP_HIGH 0.1766 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in thyroid_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) stanozolol celiac_disease GAP_HIGH 0.1766 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in celiac_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) clenbuterol crohns_disease GAP_HIGH 0.1766 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) pentobarbital autistic_disorder GAP_HIGH 0.1766 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in autistic_disorder cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital liver_cancer GAP_HIGH 0.1766 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital nicotine_dependence GAP_HIGH 0.1766 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in nicotine_dependence cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital parkinsons_disease GAP_HIGH 0.1766 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in parkinsons_disease cell model. Expected: similar to clobazam (Jaccard=0.29) dronedarone obesity GAP_HIGH 0.1766 0.2857142857142857 amlodipine High-priority: Binding assay dronedarone→?; validate in obesity cell model. Expected: similar to amlodipine (Jaccard=0.29) benazepril brain_cancer GAP_HIGH 0.1766 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril intracranial_aneurysm GAP_HIGH 0.1766 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.27) aminophenazone vitiligo GAP_HIGH 0.1766 0.25 clotrimazole High-priority: Binding assay aminophenazone→?; validate in vitiligo cell model. Expected: similar to clotrimazole (Jaccard=0.25) lubiprostone hypertension GAP_HIGH 0.1766 0.2 treprostinil High-priority: Binding assay lubiprostone→?; validate in hypertension cell model. Expected: similar to treprostinil (Jaccard=0.20) triamterene bone_cancer GAP_HIGH 0.1766 0.2 histamine_phosphate High-priority: Binding assay triamterene→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) dinoprostone leprosy GAP_HIGH 0.1766 0.15384615384615385 pomalidomide High-priority: Binding assay dinoprostone→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.15) chlorpromazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1765 0.75 clomipramine High-priority: Binding assay chlorpromazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clomipramine (Jaccard=0.75) pirenzepine narcolepsy GAP_HIGH 0.1765 0.6153846153846154 perphenazine High-priority: Binding assay pirenzepine→?; validate in narcolepsy cell model. Expected: similar to perphenazine (Jaccard=0.62) medroxyprogesterone_acetate metabolic_syndrome_x GAP_HIGH 0.1765 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.50) flurandrenolide hypertension GAP_HIGH 0.1765 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.46) ritodrine uterine_fibroid GAP_HIGH 0.1765 0.35714285714285715 masoprocol High-priority: Binding assay ritodrine→?; validate in uterine_fibroid cell model. Expected: similar to masoprocol (Jaccard=0.36) halazepam pancreatic_cancer GAP_HIGH 0.1765 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam stomach_cancer GAP_HIGH 0.1765 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) pentobarbital amyotrophic_lateral_sclerosis GAP_HIGH 0.1765 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clobazam (Jaccard=0.29) butabarbital melanoma GAP_HIGH 0.1765 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.27) azelastine polycystic_ovary_syndrome GAP_HIGH 0.1764 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to methdilazine (Jaccard=0.67) azelastine type_2_diabetes_mellitus GAP_HIGH 0.1764 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methdilazine (Jaccard=0.67) medroxyprogesterone_acetate osteoarthritis GAP_HIGH 0.1764 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in osteoarthritis cell model. Expected: similar to spironolactone (Jaccard=0.50) medroxyprogesterone_acetate skin_cancer GAP_HIGH 0.1764 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in skin_cancer cell model. Expected: similar to spironolactone (Jaccard=0.50) mepenzolate lung_cancer GAP_HIGH 0.1764 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in lung_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) mepenzolate rectum_cancer GAP_HIGH 0.1764 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in rectum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) halazepam psoriasis GAP_HIGH 0.1764 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in psoriasis cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam ulcerative_colitis GAP_HIGH 0.1764 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in ulcerative_colitis cell model. Expected: similar to clozapine (Jaccard=0.33) glipizide pancreatitis GAP_HIGH 0.1764 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) norelgestromin dilated_cardiomyopathy GAP_HIGH 0.1764 0.3125 dydrogesterone High-priority: Binding assay norelgestromin→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.31) amiloride idiopathic_pulmonary_fibrosis GAP_HIGH 0.1764 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dexamethasone (Jaccard=0.25) talbutal thyroid_cancer GAP_HIGH 0.1764 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in thyroid_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) equilin obesity GAP_HIGH 0.1764 0.2222222222222222 spironolactone High-priority: Binding assay equilin→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.22) benzphetamine duodenum_cancer GAP_HIGH 0.1763 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) benzphetamine gallbladder_cancer GAP_HIGH 0.1763 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) benzphetamine melanoma GAP_HIGH 0.1763 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.60) suprofen atherosclerosis GAP_HIGH 0.1763 0.5 naproxen High-priority: Binding assay suprofen→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.50) doxylamine gilles_de_la_tourette_syndrome GAP_HIGH 0.1763 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.40) ephedrine coronary_artery_disease GAP_HIGH 0.1763 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) mepenzolate liver_cancer GAP_HIGH 0.1763 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in liver_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) halazepam uterine_cancer GAP_HIGH 0.1763 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) dihomo-gamma-linolenic_acid pharynx_cancer GAP_HIGH 0.1763 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in pharynx_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) pentobarbital attention_deficit_hyperactivity_disorder GAP_HIGH 0.1763 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to clobazam (Jaccard=0.29) oxyphenonium penile_cancer GAP_HIGH 0.1763 0.25 probenecid High-priority: Binding assay oxyphenonium→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.25) vitamin_c glaucoma GAP_HIGH 0.1763 0.16666666666666666 choline High-priority: Binding assay vitamin_c→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) methacholine leprosy GAP_LOW 0.1763 0.09090909090909091 sulfamethizole Low-priority: Computational docking methacholine vs leprosy targets. Cross-check methacholine pharmacophore against leprosy pathway. clomipramine systemic_lupus_erythematosus GAP_HIGH 0.1762 0.8181818181818182 chlorprothixene High-priority: Binding assay clomipramine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.82) phenprocoumon ulcerative_colitis GAP_HIGH 0.1762 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in ulcerative_colitis cell model. Expected: similar to atomoxetine (Jaccard=0.60) fosphenytoin epilepsy_syndrome GAP_HIGH 0.1762 0.55 antipyrine High-priority: Binding assay fosphenytoin→?; validate in epilepsy_syndrome cell model. Expected: similar to antipyrine (Jaccard=0.55) raloxifene salivary_gland_cancer GAP_HIGH 0.1762 0.5 bimatoprost High-priority: Binding assay raloxifene→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.50) flurandrenolide migraine GAP_HIGH 0.1762 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.46) sulfanilamide melanoma GAP_HIGH 0.1762 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.45) ketazolam gilles_de_la_tourette_syndrome GAP_HIGH 0.1762 0.4090909090909091 loxapine High-priority: Binding assay ketazolam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.41) captopril nephrolithiasis GAP_HIGH 0.1762 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in nephrolithiasis cell model. Expected: similar to sunitinib (Jaccard=0.33) methsuximide gout GAP_HIGH 0.1762 0.3333333333333333 oxcarbazepine High-priority: Binding assay methsuximide→?; validate in gout cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) nitisinone epilepsy_syndrome GAP_HIGH 0.1762 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in epilepsy_syndrome cell model. Expected: similar to butenafine (Jaccard=0.17) azelastine rheumatoid_arthritis GAP_HIGH 0.1761 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in rheumatoid_arthritis cell model. Expected: similar to methdilazine (Jaccard=0.67) alverine mediastinal_cancer GAP_HIGH 0.1761 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) clobazam azoospermia GAP_HIGH 0.1761 0.5 chlorpromazine High-priority: Binding assay clobazam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.50) medroxyprogesterone_acetate obesity GAP_HIGH 0.1761 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.50) amoxapine alcohol_dependence GAP_HIGH 0.1761 0.45 mazindol High-priority: Binding assay amoxapine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.45) mepenzolate urinary_bladder_cancer GAP_HIGH 0.1761 0.4 phenoxybenzamine High-priority: Binding assay mepenzolate→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.40) metaraminol duodenum_cancer GAP_HIGH 0.1761 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in duodenum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol gallbladder_cancer GAP_HIGH 0.1761 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in gallbladder_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol melanoma GAP_HIGH 0.1761 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in melanoma cell model. Expected: similar to cyclandelate (Jaccard=0.33) glipizide lung_cancer GAP_HIGH 0.1761 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide rectum_cancer GAP_HIGH 0.1761 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) entecavir penile_cancer GAP_HIGH 0.1761 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) pentobarbital panic_disorder GAP_HIGH 0.1761 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in panic_disorder cell model. Expected: similar to clobazam (Jaccard=0.29) amiloride gout GAP_HIGH 0.1761 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in gout cell model. Expected: similar to dexamethasone (Jaccard=0.25) quinapril glaucoma GAP_HIGH 0.1761 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in glaucoma cell model. Expected: similar to penbutolol (Jaccard=0.25) talbutal pancreatitis GAP_HIGH 0.1761 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in pancreatitis cell model. Expected: similar to pantoprazole (Jaccard=0.25) triamterene acquired_immunodeficiency_syndrome GAP_HIGH 0.1761 0.2222222222222222 mitiglinide High-priority: Binding assay triamterene→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.22) benzphetamine sclerosing_cholangitis GAP_HIGH 0.176 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to benzatropine (Jaccard=0.60) alverine gout GAP_HIGH 0.176 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.55) alverine primary_biliary_cirrhosis GAP_HIGH 0.176 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine thymus_cancer GAP_HIGH 0.176 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) methylprednisolone sclerosing_cholangitis GAP_HIGH 0.176 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.50) raloxifene ocular_cancer GAP_HIGH 0.176 0.5 bimatoprost High-priority: Binding assay raloxifene→?; validate in ocular_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.50) glipizide liver_cancer GAP_HIGH 0.176 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) desogestrel dilated_cardiomyopathy GAP_HIGH 0.176 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.32) cytarabine hematologic_cancer GAP_HIGH 0.176 0.3076923076923077 floxuridine High-priority: Binding assay cytarabine→?; validate in hematologic_cancer cell model. Expected: similar to floxuridine (Jaccard=0.31) dihomo-gamma-linolenic_acid thyroid_cancer GAP_HIGH 0.176 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in thyroid_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) pentobarbital breast_cancer GAP_HIGH 0.176 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in breast_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital colon_cancer GAP_HIGH 0.176 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in colon_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital conduct_disorder GAP_HIGH 0.176 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in conduct_disorder cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital schizophrenia GAP_HIGH 0.176 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in schizophrenia cell model. Expected: similar to clobazam (Jaccard=0.29) dronedarone polycystic_ovary_syndrome GAP_HIGH 0.176 0.2857142857142857 amlodipine High-priority: Binding assay dronedarone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to amlodipine (Jaccard=0.29) pyrimethamine malignant_mesothelioma GAP_HIGH 0.176 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.25) talbutal salivary_gland_cancer GAP_HIGH 0.176 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in salivary_gland_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) nitisinone pancreatitis GAP_HIGH 0.176 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in pancreatitis cell model. Expected: similar to butenafine (Jaccard=0.17) sodium_tetradecyl_sulfate alopecia_areata GAP_LOW 0.176 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs alopecia_areata targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against alopecia_areata pathway. azelastine psoriatic_arthritis GAP_HIGH 0.1759 0.6666666666666666 methdilazine High-priority: Binding assay azelastine→?; validate in psoriatic_arthritis cell model. Expected: similar to methdilazine (Jaccard=0.67) benzatropine membranous_glomerulonephritis GAP_HIGH 0.1759 0.5 promethazine High-priority: Binding assay benzatropine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.50) medroxyprogesterone_acetate systemic_scleroderma GAP_HIGH 0.1759 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in systemic_scleroderma cell model. Expected: similar to spironolactone (Jaccard=0.50) alvimopan ankylosing_spondylitis GAP_HIGH 0.1759 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.43) cyproterone_acetate crohns_disease GAP_HIGH 0.1759 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.42) zafirlukast gout GAP_HIGH 0.1759 0.4117647058823529 gliclazide High-priority: Binding assay zafirlukast→?; validate in gout cell model. Expected: similar to gliclazide (Jaccard=0.41) pentobarbital allergic_rhinitis GAP_HIGH 0.1759 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in allergic_rhinitis cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital bipolar_disorder GAP_HIGH 0.1759 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in bipolar_disorder cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital hypertension GAP_HIGH 0.1759 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in hypertension cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital stomach_cancer GAP_HIGH 0.1759 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) l-carnitine malaria GAP_HIGH 0.1759 0.26666666666666666 caffeine High-priority: Binding assay l-carnitine→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.27) eprosartan kidney_cancer GAP_HIGH 0.1759 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in kidney_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.25) talbutal muscle_cancer GAP_HIGH 0.1759 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in muscle_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) alverine coronary_artery_disease GAP_HIGH 0.1758 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in coronary_artery_disease cell model. Expected: similar to tamoxifen (Jaccard=0.55) sulfanilamide creutzfeldt-jakob_disease GAP_HIGH 0.1758 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) phenylephrine autistic_disorder GAP_HIGH 0.1758 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in autistic_disorder cell model. Expected: similar to metaraminol (Jaccard=0.43) phenylephrine nicotine_dependence GAP_HIGH 0.1758 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in nicotine_dependence cell model. Expected: similar to metaraminol (Jaccard=0.43) amphetamine duodenum_cancer GAP_HIGH 0.1758 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in duodenum_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine gallbladder_cancer GAP_HIGH 0.1758 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in gallbladder_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine melanoma GAP_HIGH 0.1758 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.33) mephentermine uterine_fibroid GAP_HIGH 0.1758 0.3333333333333333 cyclandelate High-priority: Binding assay mephentermine→?; validate in uterine_fibroid cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol sclerosing_cholangitis GAP_HIGH 0.1758 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) moexipril esophageal_cancer GAP_HIGH 0.1758 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) glipizide peripheral_nervous_system_neoplasm GAP_HIGH 0.1758 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.32) clenbuterol coronary_artery_disease GAP_HIGH 0.1758 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) pentobarbital endogenous_depression GAP_HIGH 0.1758 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in endogenous_depression cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital pancreatic_cancer GAP_HIGH 0.1758 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital ulcerative_colitis GAP_HIGH 0.1758 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.29) talbutal lung_cancer GAP_HIGH 0.1758 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in lung_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) talbutal ocular_cancer GAP_HIGH 0.1758 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in ocular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) talbutal rectum_cancer GAP_HIGH 0.1758 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in rectum_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) pyrimethamine hepatitis_b GAP_HIGH 0.1758 0.2222222222222222 mitiglinide High-priority: Binding assay pyrimethamine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.22) quazepam hematologic_cancer GAP_HIGH 0.1758 0.2222222222222222 flurbiprofen High-priority: Binding assay quazepam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.22) halazepam testicular_cancer GAP_HIGH 0.1757 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam vaginal_cancer GAP_HIGH 0.1757 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) halazepam vulva_cancer GAP_HIGH 0.1757 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.33) clenbuterol narcolepsy GAP_HIGH 0.1757 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in narcolepsy cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) pentobarbital ovarian_cancer GAP_HIGH 0.1757 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in ovarian_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital uterine_cancer GAP_HIGH 0.1757 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) caffeine atopic_dermatitis GAP_HIGH 0.1757 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in atopic_dermatitis cell model. Expected: similar to dyphylline (Jaccard=0.29) benazepril head_and_neck_cancer GAP_HIGH 0.1757 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril malignant_glioma GAP_HIGH 0.1757 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) succinic_acid hematologic_cancer GAP_HIGH 0.1757 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) clomipramine systemic_scleroderma GAP_HIGH 0.1756 0.8181818181818182 chlorprothixene High-priority: Binding assay clomipramine→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.82) naftifine celiac_disease GAP_HIGH 0.1756 0.6296296296296297 diphenhydramine High-priority: Binding assay naftifine→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.63) medroxyprogesterone_acetate restless_legs_syndrome GAP_HIGH 0.1756 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in restless_legs_syndrome cell model. Expected: similar to spironolactone (Jaccard=0.50) talbutal liver_cancer GAP_HIGH 0.1756 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in liver_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) nitisinone alzheimers_disease GAP_HIGH 0.1756 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in alzheimers_disease cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone parkinsons_disease GAP_HIGH 0.1756 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in parkinsons_disease cell model. Expected: similar to butenafine (Jaccard=0.17) benzphetamine ankylosing_spondylitis GAP_HIGH 0.1755 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.60) phenprocoumon testicular_cancer GAP_HIGH 0.1755 0.6 atomoxetine High-priority: Binding assay phenprocoumon→?; validate in testicular_cancer cell model. Expected: similar to atomoxetine (Jaccard=0.60) phenelzine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1755 0.5909090909090909 bethanidine High-priority: Binding assay phenelzine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to bethanidine (Jaccard=0.59) fluticasone_propionate crohns_disease GAP_HIGH 0.1755 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in crohns_disease cell model. Expected: similar to fluocinonide (Jaccard=0.58) clonidine chronic_kidney_failure GAP_HIGH 0.1755 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in chronic_kidney_failure cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) medroxyprogesterone_acetate vitiligo GAP_HIGH 0.1755 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in vitiligo cell model. Expected: similar to spironolactone (Jaccard=0.50) phenylephrine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1755 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to metaraminol (Jaccard=0.43) caffeine psoriasis GAP_HIGH 0.1755 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in psoriasis cell model. Expected: similar to dyphylline (Jaccard=0.29) benazepril nephrolithiasis GAP_HIGH 0.1755 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.27) butabarbital thyroid_cancer GAP_HIGH 0.1755 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) benzthiazide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1755 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ritodrine (Jaccard=0.25) nelarabine type_2_diabetes_mellitus GAP_HIGH 0.1755 0.25 gemcitabine High-priority: Binding assay nelarabine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.25) talbutal urinary_bladder_cancer GAP_HIGH 0.1755 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in urinary_bladder_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) nitisinone amyotrophic_lateral_sclerosis GAP_HIGH 0.1755 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone autistic_disorder GAP_HIGH 0.1755 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in autistic_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone nicotine_dependence GAP_HIGH 0.1755 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in nicotine_dependence cell model. Expected: similar to butenafine (Jaccard=0.17) dronedarone leprosy GAP_LOW 0.1755 0.08333333333333333 phenmetrazine Low-priority: Computational docking dronedarone vs leprosy targets. Cross-check dronedarone pharmacophore against leprosy pathway. bromodiphenhydramine chronic_kidney_failure GAP_HIGH 0.1754 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.50) amphetamine sclerosing_cholangitis GAP_HIGH 0.1754 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.33) glipizide asthma GAP_HIGH 0.1754 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide panic_disorder GAP_HIGH 0.1754 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide schizophrenia GAP_HIGH 0.1754 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.32) caffeine migraine GAP_HIGH 0.1754 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in migraine cell model. Expected: similar to dyphylline (Jaccard=0.29) talbutal peripheral_nervous_system_neoplasm GAP_HIGH 0.1754 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pantoprazole (Jaccard=0.25) lubiprostone systemic_scleroderma GAP_HIGH 0.1754 0.2 treprostinil High-priority: Binding assay lubiprostone→?; validate in systemic_scleroderma cell model. Expected: similar to treprostinil (Jaccard=0.20) methamphetamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1753 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phentermine (Jaccard=0.55) medroxyprogesterone_acetate rheumatoid_arthritis GAP_HIGH 0.1753 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in rheumatoid_arthritis cell model. Expected: similar to spironolactone (Jaccard=0.50) cyproterone_acetate primary_biliary_cirrhosis GAP_HIGH 0.1753 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.42) mepenzolate uterine_cancer GAP_HIGH 0.1753 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in uterine_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) methsuximide metabolic_syndrome_x GAP_HIGH 0.1753 0.34615384615384615 clomipramine High-priority: Binding assay methsuximide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clomipramine (Jaccard=0.35) halazepam uterine_fibroid GAP_HIGH 0.1753 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.33) metaraminol ankylosing_spondylitis GAP_HIGH 0.1753 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) glipizide colon_cancer GAP_HIGH 0.1753 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide hypertension GAP_HIGH 0.1753 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide stomach_cancer GAP_HIGH 0.1753 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) entecavir meningioma GAP_HIGH 0.1753 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.31) nitisinone attention_deficit_hyperactivity_disorder GAP_HIGH 0.1753 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) sodium_lauryl_sulfate alcohol_dependence GAP_LOW 0.1753 0.1111111111111111 ethylmorphine Low-priority: Computational docking sodium_lauryl_sulfate vs alcohol_dependence targets. Cross-check sodium_lauryl_sulfate pharmacophore against alcohol_dependence pathway. aminoglutethimide hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking aminoglutethimide vs hypothyroidism targets. Cross-check aminoglutethimide pharmacophore against hypothyroidism pathway. bimatoprost barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking bimatoprost vs barretts_esophagus targets. Cross-check bimatoprost pharmacophore against barretts_esophagus pathway. chlorpropamide barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking chlorpropamide vs barretts_esophagus targets. Cross-check chlorpropamide pharmacophore against barretts_esophagus pathway. dapsone barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking dapsone vs barretts_esophagus targets. Cross-check dapsone pharmacophore against barretts_esophagus pathway. emtricitabine barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking emtricitabine vs barretts_esophagus targets. Cross-check emtricitabine pharmacophore against barretts_esophagus pathway. ephedrine barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking ephedrine vs barretts_esophagus targets. Cross-check ephedrine pharmacophore against barretts_esophagus pathway. flavin_adenine_dinucleotide barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking flavin_adenine_dinucleotide vs barretts_esophagus targets. Cross-check flavin_adenine_dinucleotide pharmacophore against barretts_esophagus pathway. glutethimide hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking glutethimide vs hypothyroidism targets. Cross-check glutethimide pharmacophore against hypothyroidism pathway. ibuprofen hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking ibuprofen vs hypothyroidism targets. Cross-check ibuprofen pharmacophore against hypothyroidism pathway. irbesartan hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking irbesartan vs hypothyroidism targets. Cross-check irbesartan pharmacophore against hypothyroidism pathway. latanoprost barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking latanoprost vs barretts_esophagus targets. Cross-check latanoprost pharmacophore against barretts_esophagus pathway. losartan hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking losartan vs hypothyroidism targets. Cross-check losartan pharmacophore against hypothyroidism pathway. methacholine hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking methacholine vs hypothyroidism targets. Cross-check methacholine pharmacophore against hypothyroidism pathway. methylphenobarbital hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking methylphenobarbital vs hypothyroidism targets. Cross-check methylphenobarbital pharmacophore against hypothyroidism pathway. naloxone barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking naloxone vs barretts_esophagus targets. Cross-check naloxone pharmacophore against barretts_esophagus pathway. pomalidomide barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking pomalidomide vs barretts_esophagus targets. Cross-check pomalidomide pharmacophore against barretts_esophagus pathway. tolbutamide barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking tolbutamide vs barretts_esophagus targets. Cross-check tolbutamide pharmacophore against barretts_esophagus pathway. travoprost barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking travoprost vs barretts_esophagus targets. Cross-check travoprost pharmacophore against barretts_esophagus pathway. triamterene barretts_esophagus GAP_LOW 0.1753 0.0 pantoprazole Low-priority: Computational docking triamterene vs barretts_esophagus targets. Cross-check triamterene pharmacophore against barretts_esophagus pathway. valsartan hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking valsartan vs hypothyroidism targets. Cross-check valsartan pharmacophore against hypothyroidism pathway. zolmitriptan hypothyroidism GAP_LOW 0.1753 0.0 methimazole Low-priority: Computational docking zolmitriptan vs hypothyroidism targets. Cross-check zolmitriptan pharmacophore against hypothyroidism pathway. chlorpromazine conduct_disorder GAP_HIGH 0.1752 0.75 clomipramine High-priority: Binding assay chlorpromazine→?; validate in conduct_disorder cell model. Expected: similar to clomipramine (Jaccard=0.75) chlorpromazine schizophrenia GAP_HIGH 0.1752 0.75 clomipramine High-priority: Binding assay chlorpromazine→?; validate in schizophrenia cell model. Expected: similar to clomipramine (Jaccard=0.75) trilostane type_2_diabetes_mellitus GAP_HIGH 0.1752 0.46153846153846156 mestranol High-priority: Binding assay trilostane→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to mestranol (Jaccard=0.46) antazoline celiac_disease GAP_HIGH 0.1752 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.45) sulfanilamide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1752 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide thyroid_cancer GAP_HIGH 0.1752 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) phenylephrine conduct_disorder GAP_HIGH 0.1752 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in conduct_disorder cell model. Expected: similar to metaraminol (Jaccard=0.43) flavin_adenine_dinucleotide brain_cancer GAP_HIGH 0.1752 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide intracranial_aneurysm GAP_HIGH 0.1752 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.33) glipizide allergic_rhinitis GAP_HIGH 0.1752 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) methsuximide celiac_disease GAP_HIGH 0.1752 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.31) pentobarbital osteoarthritis GAP_HIGH 0.1752 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in osteoarthritis cell model. Expected: similar to clobazam (Jaccard=0.29) equilin gilles_de_la_tourette_syndrome GAP_HIGH 0.1752 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) nitisinone esophageal_cancer GAP_LOW 0.1752 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs esophageal_cancer targets. Cross-check nitisinone pharmacophore against esophageal_cancer pathway. sodium_lauryl_sulfate bone_cancer GAP_LOW 0.1752 0.1 alendronate Low-priority: Computational docking sodium_lauryl_sulfate vs bone_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against bone_cancer pathway. benzphetamine pancreatitis GAP_HIGH 0.1751 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in pancreatitis cell model. Expected: similar to benzatropine (Jaccard=0.60) alvimopan lung_cancer GAP_HIGH 0.1751 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) alvimopan rectum_cancer GAP_HIGH 0.1751 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) phenylephrine bipolar_disorder GAP_HIGH 0.1751 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in bipolar_disorder cell model. Expected: similar to metaraminol (Jaccard=0.43) ephedrine sclerosing_cholangitis GAP_HIGH 0.1751 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) glipizide ulcerative_colitis GAP_HIGH 0.1751 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.32) pentobarbital testicular_cancer GAP_HIGH 0.1751 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital vaginal_cancer GAP_HIGH 0.1751 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) pentobarbital vulva_cancer GAP_HIGH 0.1751 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) caffeine systemic_lupus_erythematosus GAP_HIGH 0.1751 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to dyphylline (Jaccard=0.29) spirapril germ_cell_cancer GAP_HIGH 0.1751 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) dinoprost_tromethamine penile_cancer GAP_HIGH 0.1751 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in penile_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) chlorpromazine bipolar_disorder GAP_HIGH 0.175 0.75 clomipramine High-priority: Binding assay chlorpromazine→?; validate in bipolar_disorder cell model. Expected: similar to clomipramine (Jaccard=0.75) alverine duodenum_cancer GAP_HIGH 0.175 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine gallbladder_cancer GAP_HIGH 0.175 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine melanoma GAP_HIGH 0.175 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.55) medroxyprogesterone_acetate psoriatic_arthritis GAP_HIGH 0.175 0.5 spironolactone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in psoriatic_arthritis cell model. Expected: similar to spironolactone (Jaccard=0.50) flurandrenolide restless_legs_syndrome GAP_HIGH 0.175 0.46153846153846156 medrysone High-priority: Binding assay flurandrenolide→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.46) cinchocaine migraine GAP_HIGH 0.175 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in migraine cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) cinchocaine osteoporosis GAP_HIGH 0.175 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in osteoporosis cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) phenylephrine endogenous_depression GAP_HIGH 0.175 0.42857142857142855 metaraminol High-priority: Binding assay phenylephrine→?; validate in endogenous_depression cell model. Expected: similar to metaraminol (Jaccard=0.43) cyproterone_acetate coronary_artery_disease GAP_HIGH 0.175 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.42) halazepam polycystic_ovary_syndrome GAP_HIGH 0.175 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.33) glipizide migraine GAP_HIGH 0.175 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.32) glipizide ovarian_cancer GAP_HIGH 0.175 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.32) nitisinone panic_disorder GAP_HIGH 0.175 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in panic_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone schizophrenia GAP_HIGH 0.175 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in schizophrenia cell model. Expected: similar to butenafine (Jaccard=0.17) methdilazine prostate_cancer GAP_HIGH 0.1749 0.6666666666666666 azelastine High-priority: Binding assay methdilazine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.67) sulfanilamide pancreatitis GAP_HIGH 0.1749 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in pancreatitis cell model. Expected: similar to probenecid (Jaccard=0.45) ethynodiol primary_biliary_cirrhosis GAP_HIGH 0.1749 0.42857142857142855 drospirenone High-priority: Binding assay ethynodiol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drospirenone (Jaccard=0.43) phenylephrine uterine_cancer GAP_HIGH 0.1749 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in uterine_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) etonogestrel alopecia_areata GAP_HIGH 0.1749 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in alopecia_areata cell model. Expected: similar to norethindrone (Jaccard=0.40) nandrolone_phenpropionate intracranial_aneurysm GAP_HIGH 0.1749 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in intracranial_aneurysm cell model. Expected: similar to prednicarbate (Jaccard=0.38) halazepam vitiligo GAP_HIGH 0.1749 0.3333333333333333 clozapine High-priority: Binding assay halazepam→?; validate in vitiligo cell model. Expected: similar to clozapine (Jaccard=0.33) metaraminol pancreatitis GAP_HIGH 0.1749 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in pancreatitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) glipizide sarcoma GAP_HIGH 0.1749 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.32) caffeine skin_cancer GAP_HIGH 0.1749 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in skin_cancer cell model. Expected: similar to dyphylline (Jaccard=0.29) talbutal pancreatic_cancer GAP_HIGH 0.1749 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in pancreatic_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) talbutal stomach_cancer GAP_HIGH 0.1749 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in stomach_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) dinoprost_tromethamine malignant_mesothelioma GAP_HIGH 0.1749 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in malignant_mesothelioma cell model. Expected: similar to pemetrexed (Jaccard=0.20) methsuximide leprosy GAP_HIGH 0.1749 0.2 phensuximide High-priority: Binding assay methsuximide→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.20) nitisinone conduct_disorder GAP_HIGH 0.1749 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in conduct_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone hypertension GAP_HIGH 0.1749 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in hypertension cell model. Expected: similar to butenafine (Jaccard=0.17) benzphetamine lung_cancer GAP_HIGH 0.1748 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in lung_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) benzphetamine rectum_cancer GAP_HIGH 0.1748 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) clonazepam coronary_artery_disease GAP_HIGH 0.1748 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in coronary_artery_disease cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) clonazepam narcolepsy GAP_HIGH 0.1748 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) methamphetamine pancreatic_cancer GAP_HIGH 0.1748 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.55) methamphetamine ulcerative_colitis GAP_HIGH 0.1748 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.55) orphenadrine crohns_disease GAP_HIGH 0.1748 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) sulfanilamide muscle_cancer GAP_HIGH 0.1748 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) mepenzolate vaginal_cancer GAP_HIGH 0.1748 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in vaginal_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) mepenzolate vulva_cancer GAP_HIGH 0.1748 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in vulva_cancer cell model. Expected: similar to propiomazine (Jaccard=0.40) clofibrate type_1_diabetes_mellitus GAP_HIGH 0.1748 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.29) quinapril refractive_error GAP_HIGH 0.1748 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in refractive_error cell model. Expected: similar to penbutolol (Jaccard=0.25) talbutal ulcerative_colitis GAP_HIGH 0.1748 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in ulcerative_colitis cell model. Expected: similar to pantoprazole (Jaccard=0.25) tolazamide atherosclerosis GAP_HIGH 0.1748 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.25) solifenacin sclerosing_cholangitis GAP_HIGH 0.1748 0.2 aciclovir High-priority: Binding assay solifenacin→?; validate in sclerosing_cholangitis cell model. Expected: similar to aciclovir (Jaccard=0.20) nitisinone bipolar_disorder GAP_HIGH 0.1748 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in bipolar_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) fluticasone_propionate coronary_artery_disease GAP_HIGH 0.1747 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in coronary_artery_disease cell model. Expected: similar to fluocinonide (Jaccard=0.58) cinchocaine systemic_lupus_erythematosus GAP_HIGH 0.1747 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) diphenidol germ_cell_cancer GAP_HIGH 0.1747 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) ephedrine ankylosing_spondylitis GAP_HIGH 0.1747 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) arformoterol pharynx_cancer GAP_HIGH 0.1747 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in pharynx_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) pentobarbital uterine_fibroid GAP_HIGH 0.1747 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.29) pyrimethamine prostate_cancer GAP_HIGH 0.1747 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in prostate_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) talbutal uterine_cancer GAP_HIGH 0.1747 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in uterine_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) nitisinone endogenous_depression GAP_HIGH 0.1747 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in endogenous_depression cell model. Expected: similar to butenafine (Jaccard=0.17) glisoxepide leprosy GAP_LOW 0.1747 0.13333333333333333 sulfamethizole Low-priority: Computational docking glisoxepide vs leprosy targets. Cross-check glisoxepide pharmacophore against leprosy pathway. doxycycline pagets_disease_of_bone GAP_LOW 0.1747 0.0 ibandronate Low-priority: Computational docking doxycycline vs pagets_disease_of_bone targets. Cross-check doxycycline pharmacophore against pagets_disease_of_bone pathway. propofol pagets_disease_of_bone GAP_LOW 0.1747 0.0 ibandronate Low-priority: Computational docking propofol vs pagets_disease_of_bone targets. Cross-check propofol pharmacophore against pagets_disease_of_bone pathway. benzphetamine liver_cancer GAP_HIGH 0.1746 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) alverine sclerosing_cholangitis GAP_HIGH 0.1746 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.55) glucosamine acquired_immunodeficiency_syndrome GAP_HIGH 0.1746 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to clofarabine (Jaccard=0.46) cinchocaine metabolic_syndrome_x GAP_HIGH 0.1746 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) sulfanilamide lung_cancer GAP_HIGH 0.1746 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) vidarabine kidney_cancer GAP_HIGH 0.1746 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) metaraminol lung_cancer GAP_HIGH 0.1746 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol rectum_cancer GAP_HIGH 0.1746 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in rectum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) tafluprost idiopathic_pulmonary_fibrosis GAP_HIGH 0.1746 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) entecavir prostate_cancer GAP_HIGH 0.1746 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) clenbuterol sclerosing_cholangitis GAP_HIGH 0.1746 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) butabarbital urinary_bladder_cancer GAP_HIGH 0.1746 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) talbutal sarcoma GAP_HIGH 0.1746 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in sarcoma cell model. Expected: similar to pantoprazole (Jaccard=0.25) triamterene esophageal_cancer GAP_HIGH 0.1746 0.25 vincristine High-priority: Binding assay triamterene→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) nitisinone migraine GAP_HIGH 0.1746 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in migraine cell model. Expected: similar to butenafine (Jaccard=0.17) cinchocaine osteoarthritis GAP_HIGH 0.1745 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in osteoarthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) sulfanilamide alzheimers_disease GAP_HIGH 0.1745 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide liver_cancer GAP_HIGH 0.1745 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) sulfanilamide parkinsons_disease GAP_HIGH 0.1745 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.45) vidarabine nephrolithiasis GAP_HIGH 0.1745 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.41) amphetamine pancreatitis GAP_HIGH 0.1745 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.33) clenbuterol creutzfeldt-jakob_disease GAP_HIGH 0.1745 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benzthiazide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1745 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ritodrine (Jaccard=0.25) pyrimethamine mediastinal_cancer GAP_HIGH 0.1745 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) spirapril penile_cancer GAP_HIGH 0.1745 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in penile_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) carvedilol gestational_diabetes GAP_HIGH 0.1745 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in gestational_diabetes cell model. Expected: similar to gliclazide (Jaccard=0.21) baclofen chronic_kidney_failure GAP_HIGH 0.1745 0.21212121212121213 fenoprofen High-priority: Binding assay baclofen→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.21) quazepam kidney_cancer GAP_HIGH 0.1745 0.2 quinacrine High-priority: Binding assay quazepam→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.20) valsartan gestational_diabetes GAP_HIGH 0.1745 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in gestational_diabetes cell model. Expected: similar to tolbutamide (Jaccard=0.18) methdilazine hematologic_cancer GAP_HIGH 0.1744 0.6666666666666666 azelastine High-priority: Binding assay methdilazine→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.67) benzphetamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1744 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.60) methamphetamine systemic_lupus_erythematosus GAP_HIGH 0.1744 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.55) sulfanilamide amyotrophic_lateral_sclerosis GAP_HIGH 0.1744 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide autistic_disorder GAP_HIGH 0.1744 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide nicotine_dependence GAP_HIGH 0.1744 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.45) mepenzolate germ_cell_cancer GAP_HIGH 0.1744 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) flavin_adenine_dinucleotide head_and_neck_cancer GAP_HIGH 0.1744 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide malignant_glioma GAP_HIGH 0.1744 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.33) metaraminol liver_cancer GAP_HIGH 0.1744 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in liver_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) quinestrol esophageal_cancer GAP_HIGH 0.1744 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in esophageal_cancer cell model. Expected: similar to prednisone (Jaccard=0.28) pyrimethamine thymus_cancer GAP_HIGH 0.1744 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) linaclotide celiac_disease GAP_HIGH 0.1744 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in celiac_disease cell model. Expected: similar to vismodegib (Jaccard=0.17) sulfanilamide urinary_bladder_cancer GAP_HIGH 0.1743 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) alvimopan colon_cancer GAP_HIGH 0.1743 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) alvimopan stomach_cancer GAP_HIGH 0.1743 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) phenylephrine testicular_cancer GAP_HIGH 0.1743 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in testicular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) phenylephrine vaginal_cancer GAP_HIGH 0.1743 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in vaginal_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) phenylephrine vulva_cancer GAP_HIGH 0.1743 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in vulva_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) ephedrine pancreatitis GAP_HIGH 0.1743 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) mepenzolate uterine_fibroid GAP_HIGH 0.1743 0.4 propiomazine High-priority: Binding assay mepenzolate→?; validate in uterine_fibroid cell model. Expected: similar to propiomazine (Jaccard=0.40) stanozolol penile_cancer GAP_HIGH 0.1743 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in penile_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) arformoterol epilepsy_syndrome GAP_HIGH 0.1743 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in epilepsy_syndrome cell model. Expected: similar to masoprocol (Jaccard=0.36) flavin_adenine_dinucleotide kidney_cancer GAP_HIGH 0.1743 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) flurazepam alcohol_dependence GAP_HIGH 0.1743 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.33) dihomo-gamma-linolenic_acid uterine_cancer GAP_HIGH 0.1743 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in uterine_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) tafluprost esophageal_cancer GAP_HIGH 0.1743 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) pentobarbital polycystic_ovary_syndrome GAP_HIGH 0.1743 0.29411764705882354 clobazam High-priority: Binding assay pentobarbital→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.29) amiloride ankylosing_spondylitis GAP_HIGH 0.1743 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in ankylosing_spondylitis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) cilazapril larynx_cancer GAP_HIGH 0.1743 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) oxyphenonium hematologic_cancer GAP_HIGH 0.1743 0.25 tranylcypromine High-priority: Binding assay oxyphenonium→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.25) oxyphenonium narcolepsy GAP_HIGH 0.1743 0.25 tranylcypromine High-priority: Binding assay oxyphenonium→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.25) spirapril malignant_mesothelioma GAP_HIGH 0.1743 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in malignant_mesothelioma cell model. Expected: similar to irinotecan (Jaccard=0.25) dinoprost_tromethamine meningioma GAP_HIGH 0.1743 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in meningioma cell model. Expected: similar to pemetrexed (Jaccard=0.20) phenobarbital alcohol_dependence GAP_HIGH 0.1743 0.1794871794871795 mazindol High-priority: Binding assay phenobarbital→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.18) alverine ankylosing_spondylitis GAP_HIGH 0.1742 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.55) methamphetamine skin_cancer GAP_HIGH 0.1742 0.5454545454545454 phentermine High-priority: Binding assay methamphetamine→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.55) pomalidomide thyroid_cancer GAP_HIGH 0.1742 0.5 thalidomide High-priority: Binding assay pomalidomide→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.50) sulfanilamide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1742 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) alvimopan pancreatic_cancer GAP_HIGH 0.1742 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) phenylephrine vascular_cancer GAP_HIGH 0.1742 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in vascular_cancer cell model. Expected: similar to dipivefrin (Jaccard=0.43) alprazolam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1742 0.4166666666666667 clomipramine High-priority: Binding assay alprazolam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clomipramine (Jaccard=0.42) doxylamine chronic_kidney_failure GAP_HIGH 0.1742 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.40) amphetamine lung_cancer GAP_HIGH 0.1742 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in lung_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine rectum_cancer GAP_HIGH 0.1742 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in rectum_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) flavin_adenine_dinucleotide nephrolithiasis GAP_HIGH 0.1742 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in nephrolithiasis cell model. Expected: similar to methotrexate (Jaccard=0.33) benzthiazide asthma GAP_HIGH 0.1742 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in asthma cell model. Expected: similar to ritodrine (Jaccard=0.25) talbutal skin_cancer GAP_HIGH 0.1742 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in skin_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) succinic_acid pharynx_cancer GAP_HIGH 0.1742 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) nitisinone metabolic_syndrome_x GAP_HIGH 0.1742 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in metabolic_syndrome_x cell model. Expected: similar to butenafine (Jaccard=0.17) vismodegib skin_cancer GAP_HIGH 0.1741 0.5714285714285714 sulfaphenazole High-priority: Binding assay vismodegib→?; validate in skin_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.57) clonidine membranous_glomerulonephritis GAP_HIGH 0.1741 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) cinchocaine systemic_scleroderma GAP_HIGH 0.1741 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in systemic_scleroderma cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) alvimopan ulcerative_colitis GAP_HIGH 0.1741 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.43) nitrazepam alcohol_dependence GAP_HIGH 0.1741 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.38) amphetamine liver_cancer GAP_HIGH 0.1741 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in liver_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) clenbuterol ankylosing_spondylitis GAP_HIGH 0.1741 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) amiloride chronic_obstructive_pulmonary_disease GAP_HIGH 0.1741 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dexamethasone (Jaccard=0.25) benzthiazide allergic_rhinitis GAP_HIGH 0.1741 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in allergic_rhinitis cell model. Expected: similar to ritodrine (Jaccard=0.25) benzthiazide atopic_dermatitis GAP_HIGH 0.1741 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in atopic_dermatitis cell model. Expected: similar to ritodrine (Jaccard=0.25) talbutal testicular_cancer GAP_HIGH 0.1741 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in testicular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) talbutal vaginal_cancer GAP_HIGH 0.1741 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in vaginal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) talbutal vulva_cancer GAP_HIGH 0.1741 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in vulva_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) diazepam coronary_artery_disease GAP_HIGH 0.174 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in coronary_artery_disease cell model. Expected: similar to fludiazepam (Jaccard=0.62) propericiazine crohns_disease GAP_HIGH 0.174 0.6153846153846154 pirenzepine High-priority: Binding assay propericiazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.62) alverine chronic_obstructive_pulmonary_disease GAP_HIGH 0.174 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to benzatropine (Jaccard=0.55) alverine thyroid_cancer GAP_HIGH 0.174 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) methylprednisolone hypertension GAP_HIGH 0.174 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.50) clobazam atherosclerosis GAP_HIGH 0.174 0.4444444444444444 flurbiprofen High-priority: Binding assay clobazam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.44) alvimopan ovarian_cancer GAP_HIGH 0.174 0.42857142857142855 desipramine High-priority: Binding assay alvimopan→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.43) nandrolone_phenpropionate head_and_neck_cancer GAP_HIGH 0.174 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) nandrolone_phenpropionate malignant_glioma GAP_HIGH 0.174 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in malignant_glioma cell model. Expected: similar to prednicarbate (Jaccard=0.38) glipizide uterine_fibroid GAP_HIGH 0.174 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.32) caffeine vitiligo GAP_HIGH 0.174 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in vitiligo cell model. Expected: similar to dyphylline (Jaccard=0.29) pentobarbital ankylosing_spondylitis GAP_HIGH 0.174 0.2777777777777778 alprazolam High-priority: Binding assay pentobarbital→?; validate in ankylosing_spondylitis cell model. Expected: similar to alprazolam (Jaccard=0.28) talbutal vascular_cancer GAP_HIGH 0.174 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in vascular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.25) benzphetamine stomach_cancer GAP_HIGH 0.1739 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in stomach_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) pargyline idiopathic_pulmonary_fibrosis GAP_HIGH 0.1739 0.5384615384615384 phentermine High-priority: Binding assay pargyline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.54) sulfanilamide asthma GAP_HIGH 0.1739 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide conduct_disorder GAP_HIGH 0.1739 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide panic_disorder GAP_HIGH 0.1739 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide schizophrenia GAP_HIGH 0.1739 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.45) phenylephrine uterine_fibroid GAP_HIGH 0.1739 0.42857142857142855 dipivefrin High-priority: Binding assay phenylephrine→?; validate in uterine_fibroid cell model. Expected: similar to dipivefrin (Jaccard=0.43) diphenidol malignant_mesothelioma GAP_HIGH 0.1739 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.40) arformoterol muscle_cancer GAP_HIGH 0.1739 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in muscle_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) metaraminol panic_disorder GAP_HIGH 0.1739 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in panic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) methsuximide azoospermia GAP_HIGH 0.1739 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.31) clenbuterol epilepsy_syndrome GAP_HIGH 0.1739 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in epilepsy_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benzthiazide psoriasis GAP_HIGH 0.1739 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in psoriasis cell model. Expected: similar to ritodrine (Jaccard=0.25) flutamide membranous_glomerulonephritis GAP_HIGH 0.1739 0.25 bumetanide High-priority: Binding assay flutamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.25) benzphetamine pancreatic_cancer GAP_HIGH 0.1738 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in pancreatic_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) benzphetamine ulcerative_colitis GAP_HIGH 0.1738 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in ulcerative_colitis cell model. Expected: similar to benzatropine (Jaccard=0.60) sulfanilamide allergic_rhinitis GAP_HIGH 0.1738 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide atopic_dermatitis GAP_HIGH 0.1738 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide breast_cancer GAP_HIGH 0.1738 0.45454545454545453 phenmetrazine High-priority: Binding assay sulfanilamide→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.45) sulfanilamide hypertension GAP_HIGH 0.1738 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide stomach_cancer GAP_HIGH 0.1738 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) cyproterone_acetate sclerosing_cholangitis GAP_HIGH 0.1738 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.42) metaraminol breast_cancer GAP_HIGH 0.1738 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in breast_cancer cell model. Expected: similar to fexofenadine (Jaccard=0.33) metaraminol colon_cancer GAP_HIGH 0.1738 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in colon_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol hypertension GAP_HIGH 0.1738 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in hypertension cell model. Expected: similar to fexofenadine (Jaccard=0.33) metaraminol schizophrenia GAP_HIGH 0.1738 0.3333333333333333 iloperidone High-priority: Binding assay metaraminol→?; validate in schizophrenia cell model. Expected: similar to iloperidone (Jaccard=0.33) dihomo-gamma-linolenic_acid vaginal_cancer GAP_HIGH 0.1738 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in vaginal_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) dihomo-gamma-linolenic_acid vulva_cancer GAP_HIGH 0.1738 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in vulva_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) caffeine rheumatoid_arthritis GAP_HIGH 0.1738 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in rheumatoid_arthritis cell model. Expected: similar to dyphylline (Jaccard=0.29) butabarbital sarcoma GAP_HIGH 0.1738 0.26666666666666666 phenytoin High-priority: Binding assay butabarbital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.27) talbutal systemic_scleroderma GAP_HIGH 0.1738 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in systemic_scleroderma cell model. Expected: similar to pantoprazole (Jaccard=0.25) dextropropoxyphene germ_cell_cancer GAP_HIGH 0.1738 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) emtricitabine esophageal_cancer GAP_HIGH 0.1738 0.2222222222222222 gemcitabine High-priority: Binding assay emtricitabine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) trimethoprim hepatitis_b GAP_HIGH 0.1738 0.2222222222222222 trifluridine High-priority: Binding assay trimethoprim→?; validate in hepatitis_b cell model. Expected: similar to trifluridine (Jaccard=0.22) vorinostat bone_cancer GAP_HIGH 0.1738 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) succinic_acid epilepsy_syndrome GAP_HIGH 0.1738 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in epilepsy_syndrome cell model. Expected: similar to l-serine (Jaccard=0.17) nitisinone obesity GAP_HIGH 0.1738 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in obesity cell model. Expected: similar to butenafine (Jaccard=0.17) sodium_tetradecyl_sulfate brain_cancer GAP_LOW 0.1738 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs brain_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against brain_cancer pathway. sodium_tetradecyl_sulfate intracranial_aneurysm GAP_LOW 0.1738 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs intracranial_aneurysm targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against intracranial_aneurysm pathway. alverine pancreatitis GAP_HIGH 0.1737 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in pancreatitis cell model. Expected: similar to tamoxifen (Jaccard=0.55) methylprednisolone migraine GAP_HIGH 0.1737 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.50) cinchocaine restless_legs_syndrome GAP_HIGH 0.1737 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in restless_legs_syndrome cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) cinchocaine type_2_diabetes_mellitus GAP_HIGH 0.1737 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) sulfanilamide bipolar_disorder GAP_HIGH 0.1737 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.45) arformoterol alzheimers_disease GAP_HIGH 0.1737 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in alzheimers_disease cell model. Expected: similar to masoprocol (Jaccard=0.36) captopril penile_cancer GAP_HIGH 0.1737 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in penile_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) metaraminol stomach_cancer GAP_HIGH 0.1737 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in stomach_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) moexipril head_and_neck_cancer GAP_HIGH 0.1737 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in head_and_neck_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril malignant_glioma GAP_HIGH 0.1737 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in malignant_glioma cell model. Expected: similar to topotecan (Jaccard=0.33) glipizide restless_legs_syndrome GAP_HIGH 0.1737 0.3181818181818182 bezafibrate High-priority: Binding assay glipizide→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.32) dihomo-gamma-linolenic_acid testicular_cancer GAP_HIGH 0.1737 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in testicular_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) clenbuterol pancreatitis GAP_HIGH 0.1737 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) l-arginine refractive_error GAP_HIGH 0.1737 0.3 epinephrine High-priority: Binding assay l-arginine→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.30) quinestrol type_1_diabetes_mellitus GAP_HIGH 0.1737 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to prednisone (Jaccard=0.28) spirapril meningioma GAP_HIGH 0.1737 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in meningioma cell model. Expected: similar to irinotecan (Jaccard=0.25) talbutal uterine_fibroid GAP_HIGH 0.1737 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in uterine_fibroid cell model. Expected: similar to pantoprazole (Jaccard=0.25) methacholine azoospermia GAP_HIGH 0.1737 0.16666666666666666 atropine High-priority: Binding assay methacholine→?; validate in azoospermia cell model. Expected: similar to atropine (Jaccard=0.17) codeine barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking codeine vs barretts_esophagus targets. Cross-check codeine pharmacophore against barretts_esophagus pathway. cytarabine barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking cytarabine vs barretts_esophagus targets. Cross-check cytarabine pharmacophore against barretts_esophagus pathway. dasatinib barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking dasatinib vs barretts_esophagus targets. Cross-check dasatinib pharmacophore against barretts_esophagus pathway. imatinib barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking imatinib vs barretts_esophagus targets. Cross-check imatinib pharmacophore against barretts_esophagus pathway. nilotinib barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking nilotinib vs barretts_esophagus targets. Cross-check nilotinib pharmacophore against barretts_esophagus pathway. tamsulosin barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking tamsulosin vs barretts_esophagus targets. Cross-check tamsulosin pharmacophore against barretts_esophagus pathway. thalidomide barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking thalidomide vs barretts_esophagus targets. Cross-check thalidomide pharmacophore against barretts_esophagus pathway. vorinostat barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking vorinostat vs barretts_esophagus targets. Cross-check vorinostat pharmacophore against barretts_esophagus pathway. zafirlukast barretts_esophagus GAP_LOW 0.1737 0.0 pantoprazole Low-priority: Computational docking zafirlukast vs barretts_esophagus targets. Cross-check zafirlukast pharmacophore against barretts_esophagus pathway. benzphetamine sarcoma GAP_HIGH 0.1736 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.60) clonazepam sclerosing_cholangitis GAP_HIGH 0.1736 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) sulfanilamide endogenous_depression GAP_HIGH 0.1736 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.45) clonazepam alcohol_dependence GAP_HIGH 0.1736 0.4166666666666667 fludiazepam High-priority: Binding assay clonazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.42) isocarboxazid azoospermia GAP_HIGH 0.1736 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.38) mepenzolate malignant_mesothelioma GAP_HIGH 0.1736 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.38) metaraminol pancreatic_cancer GAP_HIGH 0.1736 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in pancreatic_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol ulcerative_colitis GAP_HIGH 0.1736 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in ulcerative_colitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) pralatrexate membranous_glomerulonephritis GAP_HIGH 0.1736 0.3333333333333333 trifluridine High-priority: Binding assay pralatrexate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluridine (Jaccard=0.33) dihomo-gamma-linolenic_acid vascular_cancer GAP_HIGH 0.1736 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in vascular_cancer cell model. Expected: similar to travoprost (Jaccard=0.31) caffeine psoriatic_arthritis GAP_HIGH 0.1736 0.2857142857142857 dyphylline High-priority: Binding assay caffeine→?; validate in psoriatic_arthritis cell model. Expected: similar to dyphylline (Jaccard=0.29) benazepril germ_cell_cancer GAP_HIGH 0.1736 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benzthiazide systemic_lupus_erythematosus GAP_HIGH 0.1736 0.25 arformoterol High-priority: Binding assay benzthiazide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to arformoterol (Jaccard=0.25) vorinostat larynx_cancer GAP_HIGH 0.1736 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) carvedilol alcohol_dependence GAP_HIGH 0.1736 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) dinoprost_tromethamine prostate_cancer GAP_HIGH 0.1736 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in prostate_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) succinic_acid salivary_gland_cancer GAP_HIGH 0.1736 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) alverine muscle_cancer GAP_HIGH 0.1735 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) sulfanilamide multiple_sclerosis GAP_HIGH 0.1735 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.45) sulfanilamide sarcoma GAP_HIGH 0.1735 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in sarcoma cell model. Expected: similar to probenecid (Jaccard=0.45) atenolol azoospermia GAP_HIGH 0.1735 0.4117647058823529 naproxen High-priority: Binding assay atenolol→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.41) captopril malignant_mesothelioma GAP_HIGH 0.1735 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in malignant_mesothelioma cell model. Expected: similar to crizotinib (Jaccard=0.33) metaraminol multiple_sclerosis GAP_HIGH 0.1735 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in multiple_sclerosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol osteoporosis GAP_HIGH 0.1735 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in osteoporosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) metaraminol ovarian_cancer GAP_HIGH 0.1735 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) sodium_lauryl_sulfate rheumatoid_arthritis GAP_HIGH 0.1735 0.2222222222222222 moexipril High-priority: Binding assay sodium_lauryl_sulfate→?; validate in rheumatoid_arthritis cell model. Expected: similar to moexipril (Jaccard=0.22) loxapine schizophrenia GAP_HIGH 0.1734 0.64 amoxapine High-priority: Binding assay loxapine→?; validate in schizophrenia cell model. Expected: similar to amoxapine (Jaccard=0.64) alverine lung_cancer GAP_HIGH 0.1734 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in lung_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine rectum_cancer GAP_HIGH 0.1734 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) cinchocaine rheumatoid_arthritis GAP_HIGH 0.1734 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in rheumatoid_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) dimetindene membranous_glomerulonephritis GAP_HIGH 0.1734 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in membranous_glomerulonephritis cell model. Expected: similar to acepromazine (Jaccard=0.43) amphetamine breast_cancer GAP_HIGH 0.1734 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in breast_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) metaraminol migraine GAP_HIGH 0.1734 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in migraine cell model. Expected: similar to fexofenadine (Jaccard=0.33) dinoprost_tromethamine mediastinal_cancer GAP_HIGH 0.1734 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in mediastinal_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) succinic_acid muscle_cancer GAP_HIGH 0.1734 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) promazine crohns_disease GAP_HIGH 0.1733 0.75 dimetacrine High-priority: Binding assay promazine→?; validate in crohns_disease cell model. Expected: similar to dimetacrine (Jaccard=0.75) propericiazine gout GAP_HIGH 0.1733 0.6153846153846154 pirenzepine High-priority: Binding assay propericiazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.62) bethanidine ocular_cancer GAP_HIGH 0.1733 0.55 phenylpropanolamine High-priority: Binding assay bethanidine→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.55) alverine liver_cancer GAP_HIGH 0.1733 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) proparacaine obesity GAP_HIGH 0.1733 0.4 lidocaine High-priority: Binding assay proparacaine→?; validate in obesity cell model. Expected: similar to lidocaine (Jaccard=0.40) desogestrel crohns_disease GAP_HIGH 0.1733 0.3888888888888889 ethinyl_estradiol High-priority: Binding assay desogestrel→?; validate in crohns_disease cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.39) sulfaphenazole atherosclerosis GAP_HIGH 0.1733 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in atherosclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) amphetamine pancreatic_cancer GAP_HIGH 0.1733 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in pancreatic_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) pralatrexate germ_cell_cancer GAP_HIGH 0.1733 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in germ_cell_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) entecavir duodenum_cancer GAP_HIGH 0.1733 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) entecavir gallbladder_cancer GAP_HIGH 0.1733 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) dihomo-gamma-linolenic_acid uterine_fibroid GAP_HIGH 0.1733 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in uterine_fibroid cell model. Expected: similar to travoprost (Jaccard=0.31) talbutal vitiligo GAP_HIGH 0.1733 0.25 pantoprazole High-priority: Binding assay talbutal→?; validate in vitiligo cell model. Expected: similar to pantoprazole (Jaccard=0.25) dinoprost_tromethamine thymus_cancer GAP_HIGH 0.1733 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in thymus_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) nitisinone restless_legs_syndrome GAP_HIGH 0.1733 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in restless_legs_syndrome cell model. Expected: similar to butenafine (Jaccard=0.17) nitisinone type_2_diabetes_mellitus GAP_HIGH 0.1733 0.16666666666666666 butenafine High-priority: Binding assay nitisinone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to butenafine (Jaccard=0.17) pipotiazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1732 0.75 perphenazine High-priority: Binding assay pipotiazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to perphenazine (Jaccard=0.75) benzphetamine skin_cancer GAP_HIGH 0.1732 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in skin_cancer cell model. Expected: similar to benzatropine (Jaccard=0.60) cinchocaine psoriatic_arthritis GAP_HIGH 0.1732 0.4583333333333333 oxybuprocaine High-priority: Binding assay cinchocaine→?; validate in psoriatic_arthritis cell model. Expected: similar to oxybuprocaine (Jaccard=0.46) stanozolol crohns_disease GAP_HIGH 0.1732 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in crohns_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) chloroprocaine leprosy GAP_HIGH 0.1732 0.35714285714285715 phenmetrazine High-priority: Binding assay chloroprocaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.36) amphetamine ulcerative_colitis GAP_HIGH 0.1732 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in ulcerative_colitis cell model. Expected: similar to vincristine (Jaccard=0.33) metaraminol systemic_lupus_erythematosus GAP_HIGH 0.1732 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclandelate (Jaccard=0.33) clenbuterol alzheimers_disease GAP_HIGH 0.1732 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in alzheimers_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol parkinsons_disease GAP_HIGH 0.1732 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in parkinsons_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) amiloride peripheral_nervous_system_neoplasm GAP_HIGH 0.1732 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to dexamethasone (Jaccard=0.25) sodium_lauryl_sulfate psoriatic_arthritis GAP_HIGH 0.1732 0.2222222222222222 moexipril High-priority: Binding assay sodium_lauryl_sulfate→?; validate in psoriatic_arthritis cell model. Expected: similar to moexipril (Jaccard=0.22) succinic_acid alzheimers_disease GAP_HIGH 0.1732 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid parkinsons_disease GAP_HIGH 0.1732 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.17) estradiol_valeratedienogest barretts_esophagus GAP_LOW 0.1732 0.09090909090909091 pantoprazole Low-priority: Computational docking estradiol_valeratedienogest vs barretts_esophagus targets. Cross-check estradiol_valeratedienogest pharmacophore against barretts_esophagus pathway. clomipramine azoospermia GAP_HIGH 0.1731 0.75 chlorpromazine High-priority: Binding assay clomipramine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.75) alverine peripheral_nervous_system_neoplasm GAP_HIGH 0.1731 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.55) ephedrine breast_cancer GAP_HIGH 0.1731 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) ephedrine colon_cancer GAP_HIGH 0.1731 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) amphetamine ovarian_cancer GAP_HIGH 0.1731 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in ovarian_cancer cell model. Expected: similar to vincristine (Jaccard=0.33) clenbuterol amyotrophic_lateral_sclerosis GAP_HIGH 0.1731 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol autistic_disorder GAP_HIGH 0.1731 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in autistic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol nicotine_dependence GAP_HIGH 0.1731 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in nicotine_dependence cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) treprostinil idiopathic_pulmonary_fibrosis GAP_HIGH 0.1731 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to penbutolol (Jaccard=0.25) baclofen membranous_glomerulonephritis GAP_HIGH 0.1731 0.21212121212121213 fenoprofen High-priority: Binding assay baclofen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.21) succinic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.1731 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.17) bethanidine peripheral_nervous_system_neoplasm GAP_HIGH 0.173 0.55 phenylpropanolamine High-priority: Binding assay bethanidine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.55) sulfanilamide vaginal_cancer GAP_HIGH 0.173 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in vaginal_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) arformoterol colon_cancer GAP_HIGH 0.173 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in colon_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) metaraminol osteoarthritis GAP_HIGH 0.173 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in osteoarthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) benazepril penile_cancer GAP_HIGH 0.173 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) spirapril prostate_cancer GAP_HIGH 0.173 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in prostate_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) zolpidem dilated_cardiomyopathy GAP_HIGH 0.173 0.25 pefloxacin High-priority: Binding assay zolpidem→?; validate in dilated_cardiomyopathy cell model. Expected: similar to pefloxacin (Jaccard=0.25) dextropropoxyphene malignant_mesothelioma GAP_HIGH 0.173 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.22) succinic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.173 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.17) nitisinone kidney_cancer GAP_LOW 0.173 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs kidney_cancer targets. Cross-check nitisinone pharmacophore against kidney_cancer pathway. benzphetamine obesity GAP_HIGH 0.1729 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in obesity cell model. Expected: similar to benzatropine (Jaccard=0.60) phenelzine pancreatitis GAP_HIGH 0.1729 0.5909090909090909 bethanidine High-priority: Binding assay phenelzine→?; validate in pancreatitis cell model. Expected: similar to bethanidine (Jaccard=0.59) sulfanilamide testicular_cancer GAP_HIGH 0.1729 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in testicular_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) ephedrine ulcerative_colitis GAP_HIGH 0.1729 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in ulcerative_colitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) desogestrel idiopathic_pulmonary_fibrosis GAP_HIGH 0.1729 0.3888888888888889 ethinyl_estradiol High-priority: Binding assay desogestrel→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.39) amphetamine systemic_lupus_erythematosus GAP_HIGH 0.1729 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vincristine (Jaccard=0.33) captopril meningioma GAP_HIGH 0.1729 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in meningioma cell model. Expected: similar to crizotinib (Jaccard=0.33) deferasirox uterine_cancer GAP_HIGH 0.1729 0.3333333333333333 pasireotide High-priority: Binding assay deferasirox→?; validate in uterine_cancer cell model. Expected: similar to pasireotide (Jaccard=0.33) tafluprost creutzfeldt-jakob_disease GAP_HIGH 0.1729 0.3333333333333333 cyproheptadine High-priority: Binding assay tafluprost→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.33) dihomo-gamma-linolenic_acid vitiligo GAP_HIGH 0.1729 0.3076923076923077 travoprost High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in vitiligo cell model. Expected: similar to travoprost (Jaccard=0.31) clenbuterol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1729 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benzthiazide systemic_scleroderma GAP_HIGH 0.1729 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in systemic_scleroderma cell model. Expected: similar to ritodrine (Jaccard=0.25) nitisinone nephrolithiasis GAP_LOW 0.1729 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs nephrolithiasis targets. Cross-check nitisinone pharmacophore against nephrolithiasis pathway. sodium_tetradecyl_sulfate head_and_neck_cancer GAP_LOW 0.1729 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs head_and_neck_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against head_and_neck_cancer pathway. sodium_tetradecyl_sulfate malignant_glioma GAP_LOW 0.1729 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs malignant_glioma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against malignant_glioma pathway. diazepam sclerosing_cholangitis GAP_HIGH 0.1728 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.62) pomalidomide stomach_cancer GAP_HIGH 0.1728 0.5 thalidomide High-priority: Binding assay pomalidomide→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.50) sulfanilamide vascular_cancer GAP_HIGH 0.1728 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in vascular_cancer cell model. Expected: similar to probenecid (Jaccard=0.45) sotalol esophageal_cancer GAP_HIGH 0.1728 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.41) amphetamine metabolic_syndrome_x GAP_HIGH 0.1728 0.3333333333333333 prazosin High-priority: Binding assay amphetamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to prazosin (Jaccard=0.33) deferasirox sarcoma GAP_HIGH 0.1728 0.3333333333333333 pasireotide High-priority: Binding assay deferasirox→?; validate in sarcoma cell model. Expected: similar to pasireotide (Jaccard=0.33) benazepril malignant_mesothelioma GAP_HIGH 0.1728 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) nicardipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1728 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) spirapril mediastinal_cancer GAP_HIGH 0.1728 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in mediastinal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril primary_biliary_cirrhosis GAP_HIGH 0.1728 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to irinotecan (Jaccard=0.25) clonazepam pancreatitis GAP_HIGH 0.1727 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in pancreatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) orphenadrine creutzfeldt-jakob_disease GAP_HIGH 0.1727 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to mepenzolate (Jaccard=0.50) orphenadrine sclerosing_cholangitis GAP_HIGH 0.1727 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) phenformin osteoporosis GAP_HIGH 0.1727 0.4444444444444444 dextroamphetamine High-priority: Binding assay phenformin→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.44) etonogestrel intracranial_aneurysm GAP_HIGH 0.1727 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in intracranial_aneurysm cell model. Expected: similar to norethindrone (Jaccard=0.40) proparacaine polycystic_ovary_syndrome GAP_HIGH 0.1727 0.4 lidocaine High-priority: Binding assay proparacaine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lidocaine (Jaccard=0.40) arformoterol multiple_sclerosis GAP_HIGH 0.1727 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in multiple_sclerosis cell model. Expected: similar to masoprocol (Jaccard=0.36) arformoterol uterine_cancer GAP_HIGH 0.1727 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in uterine_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) enalapril dilated_cardiomyopathy GAP_HIGH 0.1727 0.35714285714285715 trandolapril High-priority: Binding assay enalapril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.36) metaraminol obesity GAP_HIGH 0.1727 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in obesity cell model. Expected: similar to fexofenadine (Jaccard=0.33) spirapril thymus_cancer GAP_HIGH 0.1727 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in thymus_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) benzphetamine uterine_fibroid GAP_HIGH 0.1726 0.6 benzatropine High-priority: Binding assay benzphetamine→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.60) alverine colon_cancer GAP_HIGH 0.1726 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in colon_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine stomach_cancer GAP_HIGH 0.1726 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in stomach_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) ephedrine systemic_lupus_erythematosus GAP_HIGH 0.1726 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) alprazolam malaria GAP_HIGH 0.1726 0.35 butabarbital High-priority: Binding assay alprazolam→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.35) metaraminol systemic_scleroderma GAP_HIGH 0.1726 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in systemic_scleroderma cell model. Expected: similar to cyclandelate (Jaccard=0.33) cytarabine multiple_sclerosis GAP_HIGH 0.1726 0.3076923076923077 floxuridine High-priority: Binding assay cytarabine→?; validate in multiple_sclerosis cell model. Expected: similar to floxuridine (Jaccard=0.31) clenbuterol breast_cancer GAP_HIGH 0.1726 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol colon_cancer GAP_HIGH 0.1726 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol conduct_disorder GAP_HIGH 0.1726 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in conduct_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol panic_disorder GAP_HIGH 0.1726 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in panic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol schizophrenia GAP_HIGH 0.1726 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in schizophrenia cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) caffeine ocular_cancer GAP_HIGH 0.1726 0.26666666666666666 l-carnitine High-priority: Binding assay caffeine→?; validate in ocular_cancer cell model. Expected: similar to l-carnitine (Jaccard=0.27) oxyphenonium thyroid_cancer GAP_HIGH 0.1726 0.25 probenecid High-priority: Binding assay oxyphenonium→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.25) succinic_acid asthma GAP_HIGH 0.1726 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.17) methacholine penile_cancer GAP_HIGH 0.1726 0.16666666666666666 topotecan High-priority: Binding assay methacholine→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) arformoterol pagets_disease_of_bone GAP_LOW 0.1726 0.14285714285714285 clodronate Low-priority: Computational docking arformoterol vs pagets_disease_of_bone targets. Cross-check arformoterol pharmacophore against pagets_disease_of_bone pathway. alverine pancreatic_cancer GAP_HIGH 0.1725 0.5454545454545454 benzatropine High-priority: Binding assay alverine→?; validate in pancreatic_cancer cell model. Expected: similar to benzatropine (Jaccard=0.55) diethylstilbestrol gilles_de_la_tourette_syndrome GAP_HIGH 0.1725 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) methyltestosterone kidney_cancer GAP_HIGH 0.1725 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in kidney_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) sulfanilamide uterine_fibroid GAP_HIGH 0.1725 0.45454545454545453 probenecid High-priority: Binding assay sulfanilamide→?; validate in uterine_fibroid cell model. Expected: similar to probenecid (Jaccard=0.45) adenosine_triphosphate acquired_immunodeficiency_syndrome GAP_HIGH 0.1725 0.45161290322580644 adenosine_monophosphate High-priority: Binding assay adenosine_triphosphate→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to adenosine_monophosphate (Jaccard=0.45) ephedrine metabolic_syndrome_x GAP_HIGH 0.1725 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) stanozolol primary_biliary_cirrhosis GAP_HIGH 0.1725 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) flavin_adenine_dinucleotide membranous_glomerulonephritis GAP_HIGH 0.1725 0.3333333333333333 adenosine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adenosine (Jaccard=0.33) metaraminol uterine_fibroid GAP_HIGH 0.1725 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in uterine_fibroid cell model. Expected: similar to cyclandelate (Jaccard=0.33) doxapram esophageal_cancer GAP_HIGH 0.1725 0.3 tamoxifen High-priority: Binding assay doxapram→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) amiloride osteoporosis GAP_HIGH 0.1725 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in osteoporosis cell model. Expected: similar to dexamethasone (Jaccard=0.25) amiloride psoriasis GAP_HIGH 0.1725 0.25 histamine_phosphate High-priority: Binding assay amiloride→?; validate in psoriasis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) triamterene head_and_neck_cancer GAP_HIGH 0.1725 0.25 vincristine High-priority: Binding assay triamterene→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) triamterene malignant_glioma GAP_HIGH 0.1725 0.25 vincristine High-priority: Binding assay triamterene→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.25) succinic_acid breast_cancer GAP_HIGH 0.1725 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid colon_cancer GAP_HIGH 0.1725 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) diazepam narcolepsy GAP_HIGH 0.1724 0.6153846153846154 temazepam High-priority: Binding assay diazepam→?; validate in narcolepsy cell model. Expected: similar to temazepam (Jaccard=0.62) pirenzepine vascular_cancer GAP_HIGH 0.1724 0.6153846153846154 perphenazine High-priority: Binding assay pirenzepine→?; validate in vascular_cancer cell model. Expected: similar to perphenazine (Jaccard=0.62) temazepam gout GAP_HIGH 0.1724 0.6153846153846154 diazepam High-priority: Binding assay temazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.62) alverine ulcerative_colitis GAP_HIGH 0.1724 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in ulcerative_colitis cell model. Expected: similar to tamoxifen (Jaccard=0.55) methylprednisolone restless_legs_syndrome GAP_HIGH 0.1724 0.5 medrysone High-priority: Binding assay methylprednisolone→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.50) methyltestosterone nephrolithiasis GAP_HIGH 0.1724 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in nephrolithiasis cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) levonordefrin esophageal_cancer GAP_HIGH 0.1724 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) diphenidol gout GAP_HIGH 0.1724 0.4 benzatropine High-priority: Binding assay diphenidol→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.40) diphenidol mediastinal_cancer GAP_HIGH 0.1724 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) diphenidol primary_biliary_cirrhosis GAP_HIGH 0.1724 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.40) ephedrine skin_cancer GAP_HIGH 0.1724 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in skin_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) ethynodiol head_and_neck_cancer GAP_HIGH 0.1724 0.4 prednicarbate High-priority: Binding assay ethynodiol→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.40) amphetamine obesity GAP_HIGH 0.1724 0.3333333333333333 metformin High-priority: Binding assay amphetamine→?; validate in obesity cell model. Expected: similar to metformin (Jaccard=0.33) clenbuterol bipolar_disorder GAP_HIGH 0.1724 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in bipolar_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol endogenous_depression GAP_HIGH 0.1724 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in endogenous_depression cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol ulcerative_colitis GAP_HIGH 0.1724 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in ulcerative_colitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benzthiazide vitiligo GAP_HIGH 0.1724 0.25 ritodrine High-priority: Binding assay benzthiazide→?; validate in vitiligo cell model. Expected: similar to ritodrine (Jaccard=0.25) thiamylal malignant_mesothelioma GAP_HIGH 0.1724 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.20) solifenacin chronic_kidney_failure GAP_HIGH 0.1724 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in chronic_kidney_failure cell model. Expected: similar to trimipramine (Jaccard=0.18) succinic_acid allergic_rhinitis GAP_HIGH 0.1724 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.17) methacholine malignant_mesothelioma GAP_HIGH 0.1724 0.16666666666666666 topotecan High-priority: Binding assay methacholine→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.17) desogestrel hypothyroidism GAP_LOW 0.1724 0.125 methimazole Low-priority: Computational docking desogestrel vs hypothyroidism targets. Cross-check desogestrel pharmacophore against hypothyroidism pathway. alverine ovarian_cancer GAP_HIGH 0.1723 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in ovarian_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) alverine uterine_cancer GAP_HIGH 0.1723 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) orphenadrine ankylosing_spondylitis GAP_HIGH 0.1723 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) sulfanilamide restless_legs_syndrome GAP_HIGH 0.1723 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in restless_legs_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.45) zafirlukast pancreatic_cancer GAP_HIGH 0.1723 0.4117647058823529 gliclazide High-priority: Binding assay zafirlukast→?; validate in pancreatic_cancer cell model. Expected: similar to gliclazide (Jaccard=0.41) diphenidol thymus_cancer GAP_HIGH 0.1723 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) stanozolol coronary_artery_disease GAP_HIGH 0.1723 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in coronary_artery_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) deferasirox testicular_cancer GAP_HIGH 0.1723 0.3333333333333333 pasireotide High-priority: Binding assay deferasirox→?; validate in testicular_cancer cell model. Expected: similar to pasireotide (Jaccard=0.33) disopyramide gilles_de_la_tourette_syndrome GAP_HIGH 0.1723 0.3333333333333333 isopropamide High-priority: Binding assay disopyramide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.33) methsuximide systemic_lupus_erythematosus GAP_HIGH 0.1723 0.3333333333333333 oxcarbazepine High-priority: Binding assay methsuximide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) pemetrexed membranous_glomerulonephritis GAP_HIGH 0.1723 0.3333333333333333 trifluridine High-priority: Binding assay pemetrexed→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluridine (Jaccard=0.33) tafluprost chronic_obstructive_pulmonary_disease GAP_HIGH 0.1723 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to alcaftadine (Jaccard=0.33) clenbuterol multiple_sclerosis GAP_HIGH 0.1723 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in multiple_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clenbuterol osteoporosis GAP_HIGH 0.1723 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in osteoporosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) amiloride hepatitis_b GAP_HIGH 0.1723 0.2 zidovudine High-priority: Binding assay amiloride→?; validate in hepatitis_b cell model. Expected: similar to zidovudine (Jaccard=0.20) dinoprost_tromethamine melanoma GAP_HIGH 0.1723 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in melanoma cell model. Expected: similar to pemetrexed (Jaccard=0.20) methdilazine muscle_cancer GAP_HIGH 0.1722 0.6666666666666666 azelastine High-priority: Binding assay methdilazine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.67) beclomethasone metabolic_syndrome_x GAP_HIGH 0.1722 0.5625 amcinonide High-priority: Binding assay beclomethasone→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.56) bethanidine ovarian_cancer GAP_HIGH 0.1722 0.55 phenylpropanolamine High-priority: Binding assay bethanidine→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.55) alverine sarcoma GAP_HIGH 0.1722 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.55) methyltestosterone celiac_disease GAP_HIGH 0.1722 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in celiac_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) zafirlukast multiple_sclerosis GAP_HIGH 0.1722 0.4117647058823529 gliclazide High-priority: Binding assay zafirlukast→?; validate in multiple_sclerosis cell model. Expected: similar to gliclazide (Jaccard=0.41) zafirlukast celiac_disease GAP_HIGH 0.1722 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.38) arformoterol osteoarthritis GAP_HIGH 0.1722 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in osteoarthritis cell model. Expected: similar to masoprocol (Jaccard=0.36) amphetamine systemic_scleroderma GAP_HIGH 0.1722 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in systemic_scleroderma cell model. Expected: similar to vincristine (Jaccard=0.33) captopril prostate_cancer GAP_HIGH 0.1722 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in prostate_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) tafluprost epilepsy_syndrome GAP_HIGH 0.1722 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.33) clenbuterol migraine GAP_HIGH 0.1722 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in migraine cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) pentobarbital multiple_sclerosis GAP_HIGH 0.1722 0.2777777777777778 alprazolam High-priority: Binding assay pentobarbital→?; validate in multiple_sclerosis cell model. Expected: similar to alprazolam (Jaccard=0.28) benazepril meningioma GAP_HIGH 0.1722 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) cilazapril esophageal_cancer GAP_HIGH 0.1722 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) aminoglutethimide type_1_diabetes_mellitus GAP_HIGH 0.1722 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.22) succinic_acid migraine GAP_HIGH 0.1722 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid osteoporosis GAP_HIGH 0.1722 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid ovarian_cancer GAP_HIGH 0.1722 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid uterine_cancer GAP_HIGH 0.1722 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) dihomo-gamma-linolenic_acid dilated_cardiomyopathy GAP_HIGH 0.1722 0.16666666666666666 acetyldigitoxin High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in dilated_cardiomyopathy cell model. Expected: similar to acetyldigitoxin (Jaccard=0.17) agomelatine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking agomelatine vs barretts_esophagus targets. Cross-check agomelatine pharmacophore against barretts_esophagus pathway. amiloride hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking amiloride vs hypothyroidism targets. Cross-check amiloride pharmacophore against hypothyroidism pathway. baclofen hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking baclofen vs hypothyroidism targets. Cross-check baclofen pharmacophore against hypothyroidism pathway. benazepril hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking benazepril vs hypothyroidism targets. Cross-check benazepril pharmacophore against hypothyroidism pathway. benzocaine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking benzocaine vs barretts_esophagus targets. Cross-check benzocaine pharmacophore against barretts_esophagus pathway. candesartan hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking candesartan vs hypothyroidism targets. Cross-check candesartan pharmacophore against hypothyroidism pathway. captopril hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking captopril vs hypothyroidism targets. Cross-check captopril pharmacophore against hypothyroidism pathway. carprofen hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking carprofen vs hypothyroidism targets. Cross-check carprofen pharmacophore against hypothyroidism pathway. carvedilol hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking carvedilol vs hypothyroidism targets. Cross-check carvedilol pharmacophore against hypothyroidism pathway. cilazapril hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking cilazapril vs hypothyroidism targets. Cross-check cilazapril pharmacophore against hypothyroidism pathway. cinchocaine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking cinchocaine vs barretts_esophagus targets. Cross-check cinchocaine pharmacophore against barretts_esophagus pathway. clonazepam barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking clonazepam vs barretts_esophagus targets. Cross-check clonazepam pharmacophore against barretts_esophagus pathway. clotiazepam barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking clotiazepam vs barretts_esophagus targets. Cross-check clotiazepam pharmacophore against barretts_esophagus pathway. dextropropoxyphene hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking dextropropoxyphene vs hypothyroidism targets. Cross-check dextropropoxyphene pharmacophore against hypothyroidism pathway. dobutamine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking dobutamine vs barretts_esophagus targets. Cross-check dobutamine pharmacophore against barretts_esophagus pathway. flutamide hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking flutamide vs hypothyroidism targets. Cross-check flutamide pharmacophore against hypothyroidism pathway. glimepiride hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking glimepiride vs hypothyroidism targets. Cross-check glimepiride pharmacophore against hypothyroidism pathway. glipizide hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking glipizide vs hypothyroidism targets. Cross-check glipizide pharmacophore against hypothyroidism pathway. isoetarine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking isoetarine vs barretts_esophagus targets. Cross-check isoetarine pharmacophore against barretts_esophagus pathway. l-glutamine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking l-glutamine vs barretts_esophagus targets. Cross-check l-glutamine pharmacophore against barretts_esophagus pathway. labetalol hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking labetalol vs hypothyroidism targets. Cross-check labetalol pharmacophore against hypothyroidism pathway. lenalidomide barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking lenalidomide vs barretts_esophagus targets. Cross-check lenalidomide pharmacophore against barretts_esophagus pathway. mannitol hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking mannitol vs hypothyroidism targets. Cross-check mannitol pharmacophore against hypothyroidism pathway. mephentermine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking mephentermine vs barretts_esophagus targets. Cross-check mephentermine pharmacophore against barretts_esophagus pathway. nelarabine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking nelarabine vs barretts_esophagus targets. Cross-check nelarabine pharmacophore against barretts_esophagus pathway. nicardipine hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking nicardipine vs hypothyroidism targets. Cross-check nicardipine pharmacophore against hypothyroidism pathway. nilvadipine hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking nilvadipine vs hypothyroidism targets. Cross-check nilvadipine pharmacophore against hypothyroidism pathway. nitisinone hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking nitisinone vs hypothyroidism targets. Cross-check nitisinone pharmacophore against hypothyroidism pathway. olmesartan hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking olmesartan vs hypothyroidism targets. Cross-check olmesartan pharmacophore against hypothyroidism pathway. pravastatin hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking pravastatin vs hypothyroidism targets. Cross-check pravastatin pharmacophore against hypothyroidism pathway. proparacaine barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking proparacaine vs barretts_esophagus targets. Cross-check proparacaine pharmacophore against barretts_esophagus pathway. quinapril hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking quinapril vs hypothyroidism targets. Cross-check quinapril pharmacophore against hypothyroidism pathway. ranolazine hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking ranolazine vs hypothyroidism targets. Cross-check ranolazine pharmacophore against hypothyroidism pathway. solifenacin hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking solifenacin vs hypothyroidism targets. Cross-check solifenacin pharmacophore against hypothyroidism pathway. spirapril hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking spirapril vs hypothyroidism targets. Cross-check spirapril pharmacophore against hypothyroidism pathway. sulfanilamide barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking sulfanilamide vs barretts_esophagus targets. Cross-check sulfanilamide pharmacophore against barretts_esophagus pathway. tauroursodeoxycholic_acid hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking tauroursodeoxycholic_acid vs hypothyroidism targets. Cross-check tauroursodeoxycholic_acid pharmacophore against hypothyroidism pathway. tenofovir barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking tenofovir vs barretts_esophagus targets. Cross-check tenofovir pharmacophore against barretts_esophagus pathway. trimethoprim hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking trimethoprim vs hypothyroidism targets. Cross-check trimethoprim pharmacophore against hypothyroidism pathway. vitamin_c hypothyroidism GAP_LOW 0.1722 0.0 methimazole Low-priority: Computational docking vitamin_c vs hypothyroidism targets. Cross-check vitamin_c pharmacophore against hypothyroidism pathway. zolpidem barretts_esophagus GAP_LOW 0.1722 0.0 pantoprazole Low-priority: Computational docking zolpidem vs barretts_esophagus targets. Cross-check zolpidem pharmacophore against barretts_esophagus pathway. diazepam epilepsy_syndrome GAP_HIGH 0.1721 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in epilepsy_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.62) alverine systemic_lupus_erythematosus GAP_HIGH 0.1721 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to tamoxifen (Jaccard=0.55) sulfanilamide vitiligo GAP_HIGH 0.1721 0.45454545454545453 tranylcypromine High-priority: Binding assay sulfanilamide→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.45) ephedrine obesity GAP_HIGH 0.1721 0.4 pseudoephedrine High-priority: Binding assay ephedrine→?; validate in obesity cell model. Expected: similar to pseudoephedrine (Jaccard=0.40) mepenzolate mediastinal_cancer GAP_HIGH 0.1721 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) mepenzolate primary_biliary_cirrhosis GAP_HIGH 0.1721 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.38) pirbuterol creutzfeldt-jakob_disease GAP_HIGH 0.1721 0.375 phenylephrine High-priority: Binding assay pirbuterol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.38) arformoterol testicular_cancer GAP_HIGH 0.1721 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in testicular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) arformoterol vaginal_cancer GAP_HIGH 0.1721 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in vaginal_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) arformoterol vulva_cancer GAP_HIGH 0.1721 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in vulva_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) metaraminol polycystic_ovary_syndrome GAP_HIGH 0.1721 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to fexofenadine (Jaccard=0.33) metaraminol type_2_diabetes_mellitus GAP_HIGH 0.1721 0.3333333333333333 fexofenadine High-priority: Binding assay metaraminol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to fexofenadine (Jaccard=0.33) methsuximide skin_cancer GAP_HIGH 0.1721 0.3333333333333333 oxcarbazepine High-priority: Binding assay methsuximide→?; validate in skin_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.33) oxyphenonium muscle_cancer GAP_HIGH 0.1721 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in muscle_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) succinic_acid sarcoma GAP_HIGH 0.1721 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.17) sodium_lauryl_sulfate type_1_diabetes_mellitus GAP_HIGH 0.1721 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.17) levonorgestrel hypothyroidism GAP_LOW 0.1721 0.14285714285714285 methimazole Low-priority: Computational docking levonorgestrel vs hypothyroidism targets. Cross-check levonorgestrel pharmacophore against hypothyroidism pathway. orphenadrine epilepsy_syndrome GAP_HIGH 0.172 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in epilepsy_syndrome cell model. Expected: similar to mepenzolate (Jaccard=0.50) vidarabine penile_cancer GAP_HIGH 0.172 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) fenbufen gilles_de_la_tourette_syndrome GAP_HIGH 0.172 0.38095238095238093 loxapine High-priority: Binding assay fenbufen→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.38) diphenidol gilles_de_la_tourette_syndrome GAP_HIGH 0.172 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to phenylbutazone (Jaccard=0.38) mepenzolate gout GAP_HIGH 0.172 0.375 benzatropine High-priority: Binding assay mepenzolate→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.38) mepenzolate thymus_cancer GAP_HIGH 0.172 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) arformoterol vascular_cancer GAP_HIGH 0.172 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in vascular_cancer cell model. Expected: similar to masoprocol (Jaccard=0.36) captopril mediastinal_cancer GAP_HIGH 0.172 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in mediastinal_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) captopril primary_biliary_cirrhosis GAP_HIGH 0.172 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sunitinib (Jaccard=0.33) clenbuterol systemic_lupus_erythematosus GAP_HIGH 0.172 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) quinestrol nephrolithiasis GAP_HIGH 0.172 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in nephrolithiasis cell model. Expected: similar to prednisone (Jaccard=0.28) polythiazide idiopathic_pulmonary_fibrosis GAP_HIGH 0.172 0.23076923076923078 ritodrine High-priority: Binding assay polythiazide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ritodrine (Jaccard=0.23) equilin azoospermia GAP_HIGH 0.172 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in azoospermia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) emtricitabine bone_cancer GAP_HIGH 0.172 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) pentobarbital leprosy GAP_LOW 0.172 0.1111111111111111 phensuximide Low-priority: Computational docking pentobarbital vs leprosy targets. Cross-check pentobarbital pharmacophore against leprosy pathway. diazepam pancreatitis GAP_HIGH 0.1719 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.62) alverine skin_cancer GAP_HIGH 0.1719 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in skin_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) etonogestrel malignant_glioma GAP_HIGH 0.1719 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in malignant_glioma cell model. Expected: similar to norethindrone (Jaccard=0.40) nandrolone_phenpropionate germ_cell_cancer GAP_HIGH 0.1719 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in germ_cell_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril thymus_cancer GAP_HIGH 0.1719 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in thymus_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) metaraminol rheumatoid_arthritis GAP_HIGH 0.1719 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) quinethazone esophageal_cancer GAP_HIGH 0.1719 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinestrol celiac_disease GAP_HIGH 0.1719 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in celiac_disease cell model. Expected: similar to prednisone (Jaccard=0.28) amiloride osteoarthritis GAP_HIGH 0.1719 0.25 dexamethasone High-priority: Binding assay amiloride→?; validate in osteoarthritis cell model. Expected: similar to dexamethasone (Jaccard=0.25) quazepam skin_cancer GAP_HIGH 0.1719 0.2222222222222222 flurbiprofen High-priority: Binding assay quazepam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.22) methacholine gestational_diabetes GAP_LOW 0.1719 0.1 glimepiride Low-priority: Computational docking methacholine vs gestational_diabetes targets. Cross-check methacholine pharmacophore against gestational_diabetes pathway. naftifine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1718 0.6296296296296297 diphenhydramine High-priority: Binding assay naftifine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.63) loxapine focal_segmental_glomerulosclerosis GAP_HIGH 0.1718 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.58) beclomethasone obesity GAP_HIGH 0.1718 0.5625 amcinonide High-priority: Binding assay beclomethasone→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.56) alverine vulva_cancer GAP_HIGH 0.1718 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) phentermine osteoporosis GAP_HIGH 0.1718 0.5454545454545454 dextroamphetamine High-priority: Binding assay phentermine→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.55) orphenadrine pancreatitis GAP_HIGH 0.1718 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) cyproterone_acetate hypertension GAP_HIGH 0.1718 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.42) isoetarine type_1_diabetes_mellitus GAP_HIGH 0.1718 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to carbidopa (Jaccard=0.38) amphetamine polycystic_ovary_syndrome GAP_HIGH 0.1718 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to vincristine (Jaccard=0.33) amphetamine type_2_diabetes_mellitus GAP_HIGH 0.1718 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to vincristine (Jaccard=0.33) methsuximide crohns_disease GAP_HIGH 0.1718 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in crohns_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.31) clenbuterol osteoarthritis GAP_HIGH 0.1718 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in osteoarthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) succinic_acid skin_cancer GAP_HIGH 0.1718 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) zafirlukast osteoarthritis GAP_HIGH 0.1717 0.4117647058823529 gliclazide High-priority: Binding assay zafirlukast→?; validate in osteoarthritis cell model. Expected: similar to gliclazide (Jaccard=0.41) doxylamine malignant_mesothelioma GAP_HIGH 0.1717 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.40) arformoterol uterine_fibroid GAP_HIGH 0.1717 0.35714285714285715 masoprocol High-priority: Binding assay arformoterol→?; validate in uterine_fibroid cell model. Expected: similar to masoprocol (Jaccard=0.36) clofarabine kidney_cancer GAP_HIGH 0.1717 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) flavin_adenine_dinucleotide penile_cancer GAP_HIGH 0.1717 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in penile_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) nilvadipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1717 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) spirapril duodenum_cancer GAP_HIGH 0.1717 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril gallbladder_cancer GAP_HIGH 0.1717 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril melanoma GAP_HIGH 0.1717 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in melanoma cell model. Expected: similar to irinotecan (Jaccard=0.25) succinic_acid osteoarthritis GAP_HIGH 0.1717 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid vaginal_cancer GAP_HIGH 0.1717 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid vulva_cancer GAP_HIGH 0.1717 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) danazol hypothyroidism GAP_LOW 0.1717 0.14285714285714285 methimazole Low-priority: Computational docking danazol vs hypothyroidism targets. Cross-check danazol pharmacophore against hypothyroidism pathway. clonazepam hypertension GAP_HIGH 0.1716 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in hypertension cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) alverine vascular_cancer GAP_HIGH 0.1716 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in vascular_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.55) azatadine alcohol_dependence GAP_HIGH 0.1716 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.43) clofarabine nephrolithiasis GAP_HIGH 0.1716 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.35) metaraminol psoriatic_arthritis GAP_HIGH 0.1716 0.3333333333333333 cyclandelate High-priority: Binding assay metaraminol→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) milnacipran chronic_kidney_failure GAP_HIGH 0.1716 0.3333333333333333 brompheniramine High-priority: Binding assay milnacipran→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.33) moexipril germ_cell_cancer GAP_HIGH 0.1716 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in germ_cell_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost alzheimers_disease GAP_HIGH 0.1716 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost parkinsons_disease GAP_HIGH 0.1716 0.3333333333333333 cyproheptadine High-priority: Binding assay tafluprost→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.33) agomelatine gestational_diabetes GAP_HIGH 0.1716 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in gestational_diabetes cell model. Expected: similar to bezafibrate (Jaccard=0.26) oxyphenonium urinary_bladder_cancer GAP_HIGH 0.1716 0.25 probenecid High-priority: Binding assay oxyphenonium→?; validate in urinary_bladder_cancer cell model. Expected: similar to probenecid (Jaccard=0.25) vorinostat esophageal_cancer GAP_HIGH 0.1716 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) dinoprost_tromethamine pharynx_cancer GAP_HIGH 0.1716 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in pharynx_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) succinic_acid testicular_cancer GAP_HIGH 0.1716 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) fluticasone_propionate asthma GAP_HIGH 0.1715 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in asthma cell model. Expected: similar to fluocinonide (Jaccard=0.58) cyproterone_acetate migraine GAP_HIGH 0.1715 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.42) isocarboxazid crohns_disease GAP_HIGH 0.1715 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.38) amphetamine rheumatoid_arthritis GAP_HIGH 0.1715 0.3333333333333333 vincristine High-priority: Binding assay amphetamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to vincristine (Jaccard=0.33) flavin_adenine_dinucleotide malignant_mesothelioma GAP_HIGH 0.1715 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.33) tafluprost amyotrophic_lateral_sclerosis GAP_HIGH 0.1715 0.3333333333333333 cyproheptadine High-priority: Binding assay tafluprost→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=0.33) tafluprost autistic_disorder GAP_HIGH 0.1715 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost nicotine_dependence GAP_HIGH 0.1715 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.33) caffeine osteoporosis GAP_HIGH 0.1715 0.26666666666666666 l-carnitine High-priority: Binding assay caffeine→?; validate in osteoporosis cell model. Expected: similar to l-carnitine (Jaccard=0.27) eprosartan gout GAP_HIGH 0.1715 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in gout cell model. Expected: similar to tolbutamide (Jaccard=0.25) dextropropoxyphene mediastinal_cancer GAP_HIGH 0.1715 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) primidone larynx_cancer GAP_HIGH 0.1715 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in larynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) succinic_acid vascular_cancer GAP_HIGH 0.1715 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.17) succinic_acid leprosy GAP_LOW 0.1715 0.041666666666666664 pomalidomide Low-priority: Computational docking succinic_acid vs leprosy targets. Cross-check succinic_acid pharmacophore against leprosy pathway. benzphetamine urinary_bladder_cancer GAP_HIGH 0.1714 0.5833333333333334 phenoxybenzamine High-priority: Binding assay benzphetamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.58) fluticasone_propionate hypertension GAP_HIGH 0.1714 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in hypertension cell model. Expected: similar to fluocinonide (Jaccard=0.58) clonazepam psoriasis GAP_HIGH 0.1714 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) alverine systemic_scleroderma GAP_HIGH 0.1714 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in systemic_scleroderma cell model. Expected: similar to tamoxifen (Jaccard=0.55) estazolam gout GAP_HIGH 0.1714 0.46153846153846156 diazepam High-priority: Binding assay estazolam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.46) diphenidol melanoma GAP_HIGH 0.1714 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.40) dopamine creutzfeldt-jakob_disease GAP_HIGH 0.1714 0.375 phenylephrine High-priority: Binding assay dopamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.38) methsuximide prostate_cancer GAP_HIGH 0.1714 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.31) spirapril sclerosing_cholangitis GAP_HIGH 0.1714 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in sclerosing_cholangitis cell model. Expected: similar to irinotecan (Jaccard=0.25) dextropropoxyphene thymus_cancer GAP_HIGH 0.1714 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) dinoprost_tromethamine thyroid_cancer GAP_HIGH 0.1714 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in thyroid_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) alpha-linolenic_acid pharynx_cancer GAP_HIGH 0.1714 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in pharynx_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) equilin esophageal_cancer GAP_HIGH 0.1714 0.16666666666666666 exemestane High-priority: Binding assay equilin→?; validate in esophageal_cancer cell model. Expected: similar to exemestane (Jaccard=0.17) clonazepam osteoporosis GAP_HIGH 0.1713 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in osteoporosis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) alverine uterine_fibroid GAP_HIGH 0.1713 0.5454545454545454 tamoxifen High-priority: Binding assay alverine→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.55) clonidine coronary_artery_disease GAP_HIGH 0.1713 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in coronary_artery_disease cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) orphenadrine amyotrophic_lateral_sclerosis GAP_HIGH 0.1713 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.50) gliclazide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1713 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.41) diphenidol duodenum_cancer GAP_HIGH 0.1713 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) diphenidol gallbladder_cancer GAP_HIGH 0.1713 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) amphetamine psoriatic_arthritis GAP_HIGH 0.1713 0.3333333333333333 metformin High-priority: Binding assay amphetamine→?; validate in psoriatic_arthritis cell model. Expected: similar to metformin (Jaccard=0.33) tafluprost attention_deficit_hyperactivity_disorder GAP_HIGH 0.1713 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) vitamin_a muscle_cancer GAP_HIGH 0.1713 0.3333333333333333 bexarotene High-priority: Binding assay vitamin_a→?; validate in muscle_cancer cell model. Expected: similar to bexarotene (Jaccard=0.33) clenbuterol systemic_scleroderma GAP_HIGH 0.1713 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in systemic_scleroderma cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benazepril mediastinal_cancer GAP_HIGH 0.1713 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril primary_biliary_cirrhosis GAP_HIGH 0.1713 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to doxorubicin (Jaccard=0.27) clonidine narcolepsy GAP_HIGH 0.1712 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in narcolepsy cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) vidarabine meningioma GAP_HIGH 0.1712 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.41) aspartame rheumatoid_arthritis GAP_HIGH 0.1712 0.4 labetalol High-priority: Binding assay aspartame→?; validate in rheumatoid_arthritis cell model. Expected: similar to labetalol (Jaccard=0.40) vitamin_a ocular_cancer GAP_HIGH 0.1712 0.3333333333333333 bexarotene High-priority: Binding assay vitamin_a→?; validate in ocular_cancer cell model. Expected: similar to bexarotene (Jaccard=0.33) benazepril thymus_cancer GAP_HIGH 0.1712 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) tropicamide focal_segmental_glomerulosclerosis GAP_HIGH 0.1712 0.25 chlorthalidone High-priority: Binding assay tropicamide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.25) vorinostat focal_segmental_glomerulosclerosis GAP_HIGH 0.1712 0.25 cholecalciferol High-priority: Binding assay vorinostat→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) trimethoprim lymphatic_system_cancer GAP_HIGH 0.1712 0.2 gemcitabine High-priority: Binding assay trimethoprim→?; validate in lymphatic_system_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.20) succinic_acid uterine_fibroid GAP_HIGH 0.1712 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.17) fluticasone_propionate migraine GAP_HIGH 0.1711 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in migraine cell model. Expected: similar to fluocinonide (Jaccard=0.58) procaine obesity GAP_HIGH 0.1711 0.5789473684210527 chloroprocaine High-priority: Binding assay procaine→?; validate in obesity cell model. Expected: similar to chloroprocaine (Jaccard=0.58) clonazepam systemic_lupus_erythematosus GAP_HIGH 0.1711 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) antazoline gout GAP_HIGH 0.1711 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.45) antazoline primary_biliary_cirrhosis GAP_HIGH 0.1711 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.45) isocarboxazid idiopathic_pulmonary_fibrosis GAP_HIGH 0.1711 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.38) stanozolol sclerosing_cholangitis GAP_HIGH 0.1711 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in sclerosing_cholangitis cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) methsuximide primary_biliary_cirrhosis GAP_HIGH 0.1711 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.31) treprostinil pharynx_cancer GAP_HIGH 0.1711 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in pharynx_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) sodium_lauryl_sulfate ocular_cancer GAP_HIGH 0.1711 0.2 dihomo-gamma-linolenic_acid High-priority: Binding assay sodium_lauryl_sulfate→?; validate in ocular_cancer cell model. Expected: similar to dihomo-gamma-linolenic_acid (Jaccard=0.20) thiamylal prostate_cancer GAP_HIGH 0.1711 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) alpha-linolenic_acid thyroid_cancer GAP_HIGH 0.1711 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in thyroid_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) methacholine prostate_cancer GAP_HIGH 0.1711 0.16666666666666666 topotecan High-priority: Binding assay methacholine→?; validate in prostate_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) phentermine obesity GAP_HIGH 0.171 0.5454545454545454 dextroamphetamine High-priority: Binding assay phentermine→?; validate in obesity cell model. Expected: similar to dextroamphetamine (Jaccard=0.55) clobazam pancreatitis GAP_HIGH 0.171 0.5 chlorpromazine High-priority: Binding assay clobazam→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.50) tranylcypromine celiac_disease GAP_HIGH 0.171 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) mepenzolate melanoma GAP_HIGH 0.171 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.38) moexipril penile_cancer GAP_HIGH 0.171 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost asthma GAP_HIGH 0.171 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost conduct_disorder GAP_HIGH 0.171 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost panic_disorder GAP_HIGH 0.171 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost schizophrenia GAP_HIGH 0.171 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=0.33) entecavir breast_cancer GAP_HIGH 0.171 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) entecavir colon_cancer GAP_HIGH 0.171 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) clenbuterol restless_legs_syndrome GAP_HIGH 0.171 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in restless_legs_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) moexipril hepatitis_b GAP_HIGH 0.171 0.3 trandolapril High-priority: Binding assay moexipril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.30) caffeine osteoarthritis GAP_HIGH 0.171 0.26666666666666666 l-carnitine High-priority: Binding assay caffeine→?; validate in osteoarthritis cell model. Expected: similar to l-carnitine (Jaccard=0.27) spirapril pharynx_cancer GAP_HIGH 0.171 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in pharynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil ankylosing_spondylitis GAP_HIGH 0.171 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.25) vorinostat gilles_de_la_tourette_syndrome GAP_HIGH 0.171 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to aripiprazole (Jaccard=0.25) thiamylal mediastinal_cancer GAP_HIGH 0.171 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) diazepam panic_disorder GAP_HIGH 0.1709 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in panic_disorder cell model. Expected: similar to fludiazepam (Jaccard=0.62) clonazepam metabolic_syndrome_x GAP_HIGH 0.1709 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) captopril melanoma GAP_HIGH 0.1709 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in melanoma cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide meningioma GAP_HIGH 0.1709 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in meningioma cell model. Expected: similar to methotrexate (Jaccard=0.33) tafluprost allergic_rhinitis GAP_HIGH 0.1709 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost atopic_dermatitis GAP_HIGH 0.1709 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in atopic_dermatitis cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost breast_cancer GAP_HIGH 0.1709 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost colon_cancer GAP_HIGH 0.1709 0.3333333333333333 cyproheptadine High-priority: Binding assay tafluprost→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.33) tafluprost hypertension GAP_HIGH 0.1709 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.33) tolazoline glaucoma GAP_HIGH 0.1709 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) vitamin_a urinary_bladder_cancer GAP_HIGH 0.1709 0.3333333333333333 bexarotene High-priority: Binding assay vitamin_a→?; validate in urinary_bladder_cancer cell model. Expected: similar to bexarotene (Jaccard=0.33) clenbuterol polycystic_ovary_syndrome GAP_HIGH 0.1709 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) oxyphenonium uterine_cancer GAP_HIGH 0.1709 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) treprostinil thyroid_cancer GAP_HIGH 0.1709 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in thyroid_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) dinoprost_tromethamine muscle_cancer GAP_HIGH 0.1709 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in muscle_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) succinic_acid polycystic_ovary_syndrome GAP_HIGH 0.1709 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.17) ritodrine pagets_disease_of_bone GAP_LOW 0.1709 0.14285714285714285 clodronate Low-priority: Computational docking ritodrine vs pagets_disease_of_bone targets. Cross-check ritodrine pharmacophore against pagets_disease_of_bone pathway. methylphenobarbital leprosy GAP_LOW 0.1709 0.125 phenmetrazine Low-priority: Computational docking methylphenobarbital vs leprosy targets. Cross-check methylphenobarbital pharmacophore against leprosy pathway. solifenacin gestational_diabetes GAP_LOW 0.1709 0.1111111111111111 glimepiride Low-priority: Computational docking solifenacin vs gestational_diabetes targets. Cross-check solifenacin pharmacophore against gestational_diabetes pathway. oxybuprocaine azoospermia GAP_HIGH 0.1708 0.4782608695652174 procaine High-priority: Binding assay oxybuprocaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.48) imipramine acquired_immunodeficiency_syndrome GAP_HIGH 0.1708 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.38) doxapram vaginal_cancer GAP_HIGH 0.1708 0.3333333333333333 phenoxybenzamine High-priority: Binding assay doxapram→?; validate in vaginal_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.33) moexipril malignant_mesothelioma GAP_HIGH 0.1708 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost bipolar_disorder GAP_HIGH 0.1708 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.33) l-arginine alopecia_areata GAP_HIGH 0.1708 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.27) quinapril idiopathic_pulmonary_fibrosis GAP_HIGH 0.1708 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to penbutolol (Jaccard=0.25) spirapril thyroid_cancer GAP_HIGH 0.1708 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in thyroid_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil chronic_obstructive_pulmonary_disease GAP_HIGH 0.1708 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to penbutolol (Jaccard=0.25) triamterene azoospermia GAP_HIGH 0.1708 0.25 warfarin High-priority: Binding assay triamterene→?; validate in azoospermia cell model. Expected: similar to warfarin (Jaccard=0.25) dinoprost_tromethamine rectum_cancer GAP_HIGH 0.1708 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in rectum_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) thiamylal thymus_cancer GAP_HIGH 0.1708 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) alpha-linolenic_acid salivary_gland_cancer GAP_HIGH 0.1708 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) sodium_tetradecyl_sulfate germ_cell_cancer GAP_LOW 0.1708 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs germ_cell_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against germ_cell_cancer pathway. acetylcysteine pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking acetylcysteine vs pagets_disease_of_bone targets. Cross-check acetylcysteine pharmacophore against pagets_disease_of_bone pathway. aminolevulinic_acid pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking aminolevulinic_acid vs pagets_disease_of_bone targets. Cross-check aminolevulinic_acid pharmacophore against pagets_disease_of_bone pathway. amobarbital pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking amobarbital vs pagets_disease_of_bone targets. Cross-check amobarbital pharmacophore against pagets_disease_of_bone pathway. arformoterol barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking arformoterol vs barretts_esophagus targets. Cross-check arformoterol pharmacophore against barretts_esophagus pathway. atenolol barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking atenolol vs barretts_esophagus targets. Cross-check atenolol pharmacophore against barretts_esophagus pathway. caffeine pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking caffeine vs pagets_disease_of_bone targets. Cross-check caffeine pharmacophore against pagets_disease_of_bone pathway. calcitriol barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking calcitriol vs barretts_esophagus targets. Cross-check calcitriol pharmacophore against barretts_esophagus pathway. conjugated_estrogens barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking conjugated_estrogens vs barretts_esophagus targets. Cross-check conjugated_estrogens pharmacophore against barretts_esophagus pathway. dextrothyroxine pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking dextrothyroxine vs pagets_disease_of_bone targets. Cross-check dextrothyroxine pharmacophore against pagets_disease_of_bone pathway. dihomo-gamma-linolenic_acid pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking dihomo-gamma-linolenic_acid vs pagets_disease_of_bone targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against pagets_disease_of_bone pathway. ergocalciferol barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking ergocalciferol vs barretts_esophagus targets. Cross-check ergocalciferol pharmacophore against barretts_esophagus pathway. hydrochlorothiazide barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking hydrochlorothiazide vs barretts_esophagus targets. Cross-check hydrochlorothiazide pharmacophore against barretts_esophagus pathway. lubiprostone pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking lubiprostone vs pagets_disease_of_bone targets. Cross-check lubiprostone pharmacophore against pagets_disease_of_bone pathway. penicillamine pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking penicillamine vs pagets_disease_of_bone targets. Cross-check penicillamine pharmacophore against pagets_disease_of_bone pathway. remifentanil barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking remifentanil vs barretts_esophagus targets. Cross-check remifentanil pharmacophore against barretts_esophagus pathway. riboflavin pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking riboflavin vs pagets_disease_of_bone targets. Cross-check riboflavin pharmacophore against pagets_disease_of_bone pathway. sodium_tetradecyl_sulfate pagets_disease_of_bone GAP_LOW 0.1708 0.0 ibandronate Low-priority: Computational docking sodium_tetradecyl_sulfate vs pagets_disease_of_bone targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against pagets_disease_of_bone pathway. telmisartan barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking telmisartan vs barretts_esophagus targets. Cross-check telmisartan pharmacophore against barretts_esophagus pathway. tropicamide barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking tropicamide vs barretts_esophagus targets. Cross-check tropicamide pharmacophore against barretts_esophagus pathway. vitamin_a barretts_esophagus GAP_LOW 0.1708 0.0 pantoprazole Low-priority: Computational docking vitamin_a vs barretts_esophagus targets. Cross-check vitamin_a pharmacophore against barretts_esophagus pathway. orphenadrine breast_cancer GAP_HIGH 0.1707 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in breast_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) orphenadrine colon_cancer GAP_HIGH 0.1707 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in colon_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) pralatrexate hematologic_cancer GAP_HIGH 0.1707 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in hematologic_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) tafluprost endogenous_depression GAP_HIGH 0.1707 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost osteoporosis GAP_HIGH 0.1707 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in osteoporosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost psoriasis GAP_HIGH 0.1707 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in psoriasis cell model. Expected: similar to alcaftadine (Jaccard=0.33) entecavir ovarian_cancer GAP_HIGH 0.1707 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.31) clenbuterol rheumatoid_arthritis GAP_HIGH 0.1707 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in rheumatoid_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) ibuprofen focal_segmental_glomerulosclerosis GAP_HIGH 0.1707 0.2857142857142857 bumetanide High-priority: Binding assay ibuprofen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.29) treprostinil epilepsy_syndrome GAP_HIGH 0.1707 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in epilepsy_syndrome cell model. Expected: similar to mebendazole (Jaccard=0.25) baclofen prostate_cancer GAP_HIGH 0.1707 0.21212121212121213 fenoprofen High-priority: Binding assay baclofen→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) metolazone bone_cancer GAP_HIGH 0.1707 0.2 clodronate High-priority: Binding assay metolazone→?; validate in bone_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) thiamylal coronary_artery_disease GAP_HIGH 0.1707 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.20) equilin malignant_mesothelioma GAP_HIGH 0.1707 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in malignant_mesothelioma cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) equilin type_1_diabetes_mellitus GAP_HIGH 0.1707 0.16666666666666666 exemestane High-priority: Binding assay equilin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.17) promazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1706 0.75 dimetacrine High-priority: Binding assay promazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dimetacrine (Jaccard=0.75) clonazepam obesity GAP_HIGH 0.1706 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) isocarboxazid coronary_artery_disease GAP_HIGH 0.1706 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.38) tafluprost migraine GAP_HIGH 0.1706 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost multiple_sclerosis GAP_HIGH 0.1706 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.33) tafluprost ovarian_cancer GAP_HIGH 0.1706 0.3333333333333333 cyproheptadine High-priority: Binding assay tafluprost→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.33) pentobarbital rheumatoid_arthritis GAP_HIGH 0.1706 0.2777777777777778 alprazolam High-priority: Binding assay pentobarbital→?; validate in rheumatoid_arthritis cell model. Expected: similar to alprazolam (Jaccard=0.28) triamterene membranous_glomerulonephritis GAP_HIGH 0.1706 0.25 adefovir_dipivoxil High-priority: Binding assay triamterene→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.25) succinic_acid rheumatoid_arthritis GAP_HIGH 0.1706 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.17) alpha-linolenic_acid muscle_cancer GAP_HIGH 0.1706 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in muscle_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) methacholine coronary_artery_disease GAP_HIGH 0.1706 0.16666666666666666 zolpidem High-priority: Binding assay methacholine→?; validate in coronary_artery_disease cell model. Expected: similar to zolpidem (Jaccard=0.17) diazepam multiple_sclerosis GAP_HIGH 0.1705 0.625 fludiazepam High-priority: Binding assay diazepam→?; validate in multiple_sclerosis cell model. Expected: similar to fludiazepam (Jaccard=0.62) procaine polycystic_ovary_syndrome GAP_HIGH 0.1705 0.5789473684210527 chloroprocaine High-priority: Binding assay procaine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.58) sunitinib polycystic_ovary_syndrome GAP_HIGH 0.1705 0.5714285714285714 crizotinib High-priority: Binding assay sunitinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to crizotinib (Jaccard=0.57) orphenadrine ulcerative_colitis GAP_HIGH 0.1705 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in ulcerative_colitis cell model. Expected: similar to mepenzolate (Jaccard=0.50) levorphanol esophageal_cancer GAP_HIGH 0.1705 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) vidarabine prostate_cancer GAP_HIGH 0.1705 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) orciprenaline panic_disorder GAP_HIGH 0.1705 0.4 arbutamine High-priority: Binding assay orciprenaline→?; validate in panic_disorder cell model. Expected: similar to arbutamine (Jaccard=0.40) nandrolone_phenpropionate meningioma GAP_HIGH 0.1705 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in meningioma cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril sclerosing_cholangitis GAP_HIGH 0.1705 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in sclerosing_cholangitis cell model. Expected: similar to sunitinib (Jaccard=0.33) benazepril kidney_cancer GAP_HIGH 0.1705 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in kidney_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) spirapril pancreatitis GAP_HIGH 0.1705 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in pancreatitis cell model. Expected: similar to irinotecan (Jaccard=0.25) lubiprostone alopecia_areata GAP_LOW 0.1705 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs alopecia_areata targets. Cross-check lubiprostone pharmacophore against alopecia_areata pathway. zolmitriptan leprosy GAP_LOW 0.1705 0.11764705882352941 sulfamethizole Low-priority: Computational docking zolmitriptan vs leprosy targets. Cross-check zolmitriptan pharmacophore against leprosy pathway. clonazepam systemic_scleroderma GAP_HIGH 0.1704 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in systemic_scleroderma cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) orphenadrine multiple_sclerosis GAP_HIGH 0.1704 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in multiple_sclerosis cell model. Expected: similar to mepenzolate (Jaccard=0.50) orphenadrine ovarian_cancer GAP_HIGH 0.1704 0.5 mepenzolate High-priority: Binding assay orphenadrine→?; validate in ovarian_cancer cell model. Expected: similar to mepenzolate (Jaccard=0.50) diphenidol thyroid_cancer GAP_HIGH 0.1704 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) doxylamine prostate_cancer GAP_HIGH 0.1704 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) orciprenaline schizophrenia GAP_HIGH 0.1704 0.4 arbutamine High-priority: Binding assay orciprenaline→?; validate in schizophrenia cell model. Expected: similar to arbutamine (Jaccard=0.40) tafluprost systemic_lupus_erythematosus GAP_HIGH 0.1704 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to alcaftadine (Jaccard=0.33) vitamin_a stomach_cancer GAP_HIGH 0.1704 0.3333333333333333 bexarotene High-priority: Binding assay vitamin_a→?; validate in stomach_cancer cell model. Expected: similar to bexarotene (Jaccard=0.33) clenbuterol psoriatic_arthritis GAP_HIGH 0.1704 0.3 pseudoephedrine High-priority: Binding assay clenbuterol→?; validate in psoriatic_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) ibuprofen type_1_diabetes_mellitus GAP_HIGH 0.1704 0.2857142857142857 glyburide High-priority: Binding assay ibuprofen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.29) oxyphenonium skin_cancer GAP_HIGH 0.1704 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in skin_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) spirapril salivary_gland_cancer GAP_HIGH 0.1704 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in salivary_gland_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) dextropropoxyphene melanoma GAP_HIGH 0.1704 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.22) dinoprost_tromethamine urinary_bladder_cancer GAP_HIGH 0.1704 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) succinic_acid psoriatic_arthritis GAP_HIGH 0.1704 0.1746031746031746 l-serine High-priority: Binding assay succinic_acid→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.17) linaclotide primary_biliary_cirrhosis GAP_HIGH 0.1704 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vismodegib (Jaccard=0.17) cyproterone_acetate restless_legs_syndrome GAP_HIGH 0.1703 0.4166666666666667 medrysone High-priority: Binding assay cyproterone_acetate→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.42) sotalol celiac_disease GAP_HIGH 0.1703 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.41) oxyphenonium testicular_cancer GAP_HIGH 0.1703 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in testicular_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) oxyphenonium vaginal_cancer GAP_HIGH 0.1703 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in vaginal_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) oxyphenonium vulva_cancer GAP_HIGH 0.1703 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) pyrimethamine skin_cancer GAP_HIGH 0.1703 0.25 warfarin High-priority: Binding assay pyrimethamine→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) triamterene germ_cell_cancer GAP_HIGH 0.1703 0.25 vincristine High-priority: Binding assay triamterene→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) equilin glaucoma GAP_HIGH 0.1703 0.16666666666666666 choline High-priority: Binding assay equilin→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) linaclotide gout GAP_HIGH 0.1703 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in gout cell model. Expected: similar to vismodegib (Jaccard=0.17) sodium_lauryl_sulfate celiac_disease GAP_HIGH 0.1703 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.17) nitisinone penile_cancer GAP_LOW 0.1703 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs penile_cancer targets. Cross-check nitisinone pharmacophore against penile_cancer pathway. polythiazide pagets_disease_of_bone GAP_LOW 0.1703 0.07692307692307693 clodronate Low-priority: Computational docking polythiazide vs pagets_disease_of_bone targets. Cross-check polythiazide pharmacophore against pagets_disease_of_bone pathway. doxylamine mediastinal_cancer GAP_HIGH 0.1702 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) benzocaine type_1_diabetes_mellitus GAP_HIGH 0.1702 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.33) captopril pharynx_cancer GAP_HIGH 0.1702 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in pharynx_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide prostate_cancer GAP_HIGH 0.1702 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in prostate_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) moexipril meningioma GAP_HIGH 0.1702 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in meningioma cell model. Expected: similar to topotecan (Jaccard=0.33) benazepril duodenum_cancer GAP_HIGH 0.1702 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril gallbladder_cancer GAP_HIGH 0.1702 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril melanoma GAP_HIGH 0.1702 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in melanoma cell model. Expected: similar to doxorubicin (Jaccard=0.27) oxyphenonium vascular_cancer GAP_HIGH 0.1702 0.25 mitiglinide High-priority: Binding assay oxyphenonium→?; validate in vascular_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) spirapril rectum_cancer GAP_HIGH 0.1702 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in rectum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) alpha-linolenic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1702 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to vorinostat (Jaccard=0.17) alpha-linolenic_acid urinary_bladder_cancer GAP_HIGH 0.1702 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) dinoprost_tromethamine alcohol_dependence GAP_LOW 0.1702 0.125 naloxone Low-priority: Computational docking dinoprost_tromethamine vs alcohol_dependence targets. Cross-check dinoprost_tromethamine pharmacophore against alcohol_dependence pathway. benzphetamine vaginal_cancer GAP_HIGH 0.1701 0.5833333333333334 phenoxybenzamine High-priority: Binding assay benzphetamine→?; validate in vaginal_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.58) pirenzepine alcohol_dependence GAP_HIGH 0.1701 0.4666666666666667 temazepam High-priority: Binding assay pirenzepine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.47) antazoline melanoma GAP_HIGH 0.1701 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.45) doxylamine thymus_cancer GAP_HIGH 0.1701 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) mepenzolate thyroid_cancer GAP_HIGH 0.1701 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) alcaftadine ankylosing_spondylitis GAP_HIGH 0.1701 0.3333333333333333 azatadine High-priority: Binding assay alcaftadine→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.33) tafluprost osteoarthritis GAP_HIGH 0.1701 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in osteoarthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) methsuximide melanoma GAP_HIGH 0.1701 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.31) cilazapril head_and_neck_cancer GAP_HIGH 0.1701 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril malignant_glioma GAP_HIGH 0.1701 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril ocular_cancer GAP_HIGH 0.1701 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in ocular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) nitisinone malignant_mesothelioma GAP_LOW 0.1701 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs malignant_mesothelioma targets. Cross-check nitisinone pharmacophore against malignant_mesothelioma pathway. clonazepam type_2_diabetes_mellitus GAP_HIGH 0.17 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) antazoline duodenum_cancer GAP_HIGH 0.17 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.45) antazoline gallbladder_cancer GAP_HIGH 0.17 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.45) clobazam gilles_de_la_tourette_syndrome GAP_HIGH 0.17 0.45454545454545453 loxapine High-priority: Binding assay clobazam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.45) lenalidomide coronary_artery_disease GAP_HIGH 0.17 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in coronary_artery_disease cell model. Expected: similar to menadione (Jaccard=0.43) doxylamine coronary_artery_disease GAP_HIGH 0.17 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in coronary_artery_disease cell model. Expected: similar to isopropamide (Jaccard=0.40) doxylamine hematologic_cancer GAP_HIGH 0.17 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) isoetarine celiac_disease GAP_HIGH 0.17 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in celiac_disease cell model. Expected: similar to carbidopa (Jaccard=0.38) captopril thyroid_cancer GAP_HIGH 0.17 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in thyroid_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide mediastinal_cancer GAP_HIGH 0.17 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.33) tafluprost germ_cell_cancer GAP_HIGH 0.17 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) spirapril liver_cancer GAP_HIGH 0.17 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in liver_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) dextropropoxyphene penile_cancer GAP_HIGH 0.17 0.21052631578947367 fentanyl High-priority: Binding assay dextropropoxyphene→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.21) solifenacin malignant_mesothelioma GAP_HIGH 0.17 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.18) fluticasone_propionate restless_legs_syndrome GAP_HIGH 0.1699 0.5833333333333334 fluocinonide High-priority: Binding assay fluticasone_propionate→?; validate in restless_legs_syndrome cell model. Expected: similar to fluocinonide (Jaccard=0.58) clonazepam vitiligo GAP_HIGH 0.1699 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) methyltestosterone penile_cancer GAP_HIGH 0.1699 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in penile_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) bethanidine acquired_immunodeficiency_syndrome GAP_HIGH 0.1699 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.43) lenalidomide hematologic_cancer GAP_HIGH 0.1699 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in hematologic_cancer cell model. Expected: similar to menadione (Jaccard=0.43) diphenidol muscle_cancer GAP_HIGH 0.1699 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) flavin_adenine_dinucleotide gout GAP_HIGH 0.1699 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide primary_biliary_cirrhosis GAP_HIGH 0.1699 0.3333333333333333 adenosine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to adenosine (Jaccard=0.33) flavin_adenine_dinucleotide thymus_cancer GAP_HIGH 0.1699 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.33) dinoprost_tromethamine stomach_cancer GAP_HIGH 0.1699 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in stomach_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) thiamylal melanoma GAP_HIGH 0.1699 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.20) perphenazine crohns_disease GAP_HIGH 0.1698 0.6153846153846154 pirenzepine High-priority: Binding assay perphenazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.62) megestrol_acetate metabolic_syndrome_x GAP_HIGH 0.1698 0.5555555555555556 eplerenone High-priority: Binding assay megestrol_acetate→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.56) diphenidol lung_cancer GAP_HIGH 0.1698 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in lung_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) diphenidol rectum_cancer GAP_HIGH 0.1698 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) nandrolone_phenpropionate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1698 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to prednicarbate (Jaccard=0.38) benazepril sclerosing_cholangitis GAP_HIGH 0.1698 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in sclerosing_cholangitis cell model. Expected: similar to doxorubicin (Jaccard=0.27) spirapril peripheral_nervous_system_neoplasm GAP_HIGH 0.1698 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril urinary_bladder_cancer GAP_HIGH 0.1698 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in urinary_bladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil attention_deficit_hyperactivity_disorder GAP_HIGH 0.1698 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mebendazole (Jaccard=0.25) antazoline sclerosing_cholangitis GAP_HIGH 0.1697 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in sclerosing_cholangitis cell model. Expected: similar to benzatropine (Jaccard=0.45) dimetindene duodenum_cancer GAP_HIGH 0.1697 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in duodenum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) dimetindene gallbladder_cancer GAP_HIGH 0.1697 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in gallbladder_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) etonogestrel germ_cell_cancer GAP_HIGH 0.1697 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in germ_cell_cancer cell model. Expected: similar to norethindrone (Jaccard=0.40) captopril pancreatitis GAP_HIGH 0.1697 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in pancreatitis cell model. Expected: similar to sunitinib (Jaccard=0.33) tafluprost systemic_scleroderma GAP_HIGH 0.1697 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in systemic_scleroderma cell model. Expected: similar to alcaftadine (Jaccard=0.33) methsuximide sclerosing_cholangitis GAP_HIGH 0.1697 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.31) l-arginine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1697 0.3 epinephrine High-priority: Binding assay l-arginine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.30) dinoprost_tromethamine ulcerative_colitis GAP_HIGH 0.1697 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in ulcerative_colitis cell model. Expected: similar to pemetrexed (Jaccard=0.20) dinoprost_tromethamine uterine_cancer GAP_HIGH 0.1697 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in uterine_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) alpha-linolenic_acid stomach_cancer GAP_HIGH 0.1697 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in stomach_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) naftifine ankylosing_spondylitis GAP_HIGH 0.1696 0.6296296296296297 diphenhydramine High-priority: Binding assay naftifine→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenhydramine (Jaccard=0.63) loxapine chronic_kidney_failure GAP_HIGH 0.1696 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in chronic_kidney_failure cell model. Expected: similar to clomipramine (Jaccard=0.58) diphenidol liver_cancer GAP_HIGH 0.1696 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) mepenzolate muscle_cancer GAP_HIGH 0.1696 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.38) nandrolone_phenpropionate mediastinal_cancer GAP_HIGH 0.1696 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril salivary_gland_cancer GAP_HIGH 0.1696 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in salivary_gland_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) levonorgestrel dilated_cardiomyopathy GAP_HIGH 0.1696 0.3333333333333333 progesterone High-priority: Binding assay levonorgestrel→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.33) tolazoline refractive_error GAP_HIGH 0.1696 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) quinethazone kidney_cancer GAP_HIGH 0.1696 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) glutethimide gilles_de_la_tourette_syndrome GAP_HIGH 0.1696 0.25 remifentanil High-priority: Binding assay glutethimide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.25) dinoprost_tromethamine ovarian_cancer GAP_HIGH 0.1696 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in ovarian_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) clonazepam psoriatic_arthritis GAP_HIGH 0.1695 0.5652173913043478 chlordiazepoxide High-priority: Binding assay clonazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.57) bromodiphenhydramine ankylosing_spondylitis GAP_HIGH 0.1695 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in ankylosing_spondylitis cell model. Expected: similar to brompheniramine (Jaccard=0.50) diphenidol urinary_bladder_cancer GAP_HIGH 0.1695 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) nandrolone_phenpropionate gout GAP_HIGH 0.1695 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in gout cell model. Expected: similar to prednicarbate (Jaccard=0.38) nandrolone_phenpropionate thymus_cancer GAP_HIGH 0.1695 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril muscle_cancer GAP_HIGH 0.1695 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in muscle_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril prostate_cancer GAP_HIGH 0.1695 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in prostate_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) quinestrol penile_cancer GAP_HIGH 0.1695 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in penile_cancer cell model. Expected: similar to prednisone (Jaccard=0.28) benazepril pharynx_cancer GAP_HIGH 0.1695 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in pharynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) treprostinil asthma GAP_HIGH 0.1695 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in asthma cell model. Expected: similar to penbutolol (Jaccard=0.25) treprostinil conduct_disorder GAP_HIGH 0.1695 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in conduct_disorder cell model. Expected: similar to mebendazole (Jaccard=0.25) treprostinil panic_disorder GAP_HIGH 0.1695 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in panic_disorder cell model. Expected: similar to mebendazole (Jaccard=0.25) treprostinil schizophrenia GAP_HIGH 0.1695 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in schizophrenia cell model. Expected: similar to mebendazole (Jaccard=0.25) triamterene malignant_mesothelioma GAP_HIGH 0.1695 0.25 warfarin High-priority: Binding assay triamterene→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.25) emtricitabine germ_cell_cancer GAP_HIGH 0.1695 0.2222222222222222 gemcitabine High-priority: Binding assay emtricitabine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) labetalol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1695 0.21428571428571427 propafenone High-priority: Binding assay labetalol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.21) pentobarbital alcohol_dependence GAP_LOW 0.1695 0.14634146341463414 mazindol Low-priority: Computational docking pentobarbital vs alcohol_dependence targets. Cross-check pentobarbital pharmacophore against alcohol_dependence pathway. megestrol_acetate obesity GAP_HIGH 0.1694 0.5555555555555556 eplerenone High-priority: Binding assay megestrol_acetate→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.56) afatinib nephrolithiasis GAP_HIGH 0.1694 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in nephrolithiasis cell model. Expected: similar to erlotinib (Jaccard=0.47) diphenidol peripheral_nervous_system_neoplasm GAP_HIGH 0.1694 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.40) captopril lung_cancer GAP_HIGH 0.1694 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.33) captopril rectum_cancer GAP_HIGH 0.1694 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in rectum_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) orciprenaline atherosclerosis GAP_HIGH 0.1694 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.33) tafluprost restless_legs_syndrome GAP_HIGH 0.1694 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in restless_legs_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.33) entecavir polycystic_ovary_syndrome GAP_HIGH 0.1694 0.3125 lamivudine High-priority: Binding assay entecavir→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.31) quinethazone celiac_disease GAP_HIGH 0.1694 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.31) treprostinil allergic_rhinitis GAP_HIGH 0.1694 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in allergic_rhinitis cell model. Expected: similar to penbutolol (Jaccard=0.25) treprostinil atopic_dermatitis GAP_HIGH 0.1694 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in atopic_dermatitis cell model. Expected: similar to penbutolol (Jaccard=0.25) vorinostat head_and_neck_cancer GAP_HIGH 0.1694 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) vorinostat malignant_glioma GAP_HIGH 0.1694 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.25) dextropropoxyphene thyroid_cancer GAP_HIGH 0.1694 0.2222222222222222 tamoxifen High-priority: Binding assay dextropropoxyphene→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) primidone esophageal_cancer GAP_HIGH 0.1694 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in esophageal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) alpha-linolenic_acid uterine_cancer GAP_HIGH 0.1694 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in uterine_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) sodium_tetradecyl_sulfate meningioma GAP_LOW 0.1694 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs meningioma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against meningioma pathway. alpha-linolenic_acid leprosy GAP_LOW 0.1694 0.034482758620689655 sulfapyridine Low-priority: Computational docking alpha-linolenic_acid vs leprosy targets. Cross-check alpha-linolenic_acid pharmacophore against leprosy pathway. aciclovir barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking aciclovir vs barretts_esophagus targets. Cross-check aciclovir pharmacophore against barretts_esophagus pathway. adenosine barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking adenosine vs barretts_esophagus targets. Cross-check adenosine pharmacophore against barretts_esophagus pathway. adinazolam barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking adinazolam vs barretts_esophagus targets. Cross-check adinazolam pharmacophore against barretts_esophagus pathway. amlodipine hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking amlodipine vs hypothyroidism targets. Cross-check amlodipine pharmacophore against hypothyroidism pathway. amodiaquine hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking amodiaquine vs hypothyroidism targets. Cross-check amodiaquine pharmacophore against hypothyroidism pathway. carboprost_tromethamine hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking carboprost_tromethamine vs hypothyroidism targets. Cross-check carboprost_tromethamine pharmacophore against hypothyroidism pathway. conivaptan hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking conivaptan vs hypothyroidism targets. Cross-check conivaptan pharmacophore against hypothyroidism pathway. dinoprost_tromethamine hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking dinoprost_tromethamine vs hypothyroidism targets. Cross-check dinoprost_tromethamine pharmacophore against hypothyroidism pathway. dinoprostone hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking dinoprostone vs hypothyroidism targets. Cross-check dinoprostone pharmacophore against hypothyroidism pathway. epoprostenol hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking epoprostenol vs hypothyroidism targets. Cross-check epoprostenol pharmacophore against hypothyroidism pathway. eprosartan hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking eprosartan vs hypothyroidism targets. Cross-check eprosartan pharmacophore against hypothyroidism pathway. flurazepam barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking flurazepam vs barretts_esophagus targets. Cross-check flurazepam pharmacophore against barretts_esophagus pathway. gliquidone hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking gliquidone vs hypothyroidism targets. Cross-check gliquidone pharmacophore against hypothyroidism pathway. glisoxepide hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking glisoxepide vs hypothyroidism targets. Cross-check glisoxepide pharmacophore against hypothyroidism pathway. paricalcitol barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking paricalcitol vs barretts_esophagus targets. Cross-check paricalcitol pharmacophore against barretts_esophagus pathway. phenylephrine barretts_esophagus GAP_LOW 0.1694 0.0 pantoprazole Low-priority: Computational docking phenylephrine vs barretts_esophagus targets. Cross-check phenylephrine pharmacophore against barretts_esophagus pathway. sulpiride hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking sulpiride vs hypothyroidism targets. Cross-check sulpiride pharmacophore against hypothyroidism pathway. tafluprost hypothyroidism GAP_LOW 0.1694 0.0 methimazole Low-priority: Computational docking tafluprost vs hypothyroidism targets. Cross-check tafluprost pharmacophore against hypothyroidism pathway. bromodiphenhydramine epilepsy_syndrome GAP_HIGH 0.1693 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in epilepsy_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.50) clonazepam malaria GAP_HIGH 0.1693 0.45454545454545453 butabarbital High-priority: Binding assay clonazepam→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.45) conjugated_estrogens prostate_cancer GAP_HIGH 0.1693 0.4 estriol High-priority: Binding assay conjugated_estrogens→?; validate in prostate_cancer cell model. Expected: similar to estriol (Jaccard=0.40) captopril ocular_cancer GAP_HIGH 0.1693 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in ocular_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril mediastinal_cancer GAP_HIGH 0.1693 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in mediastinal_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) epinephrine atherosclerosis GAP_HIGH 0.1693 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) quinestrol malignant_mesothelioma GAP_HIGH 0.1693 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in malignant_mesothelioma cell model. Expected: similar to prednisone (Jaccard=0.28) treprostinil bipolar_disorder GAP_HIGH 0.1693 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in bipolar_disorder cell model. Expected: similar to mebendazole (Jaccard=0.25) benazepril hepatitis_b GAP_HIGH 0.1693 0.2222222222222222 trandolapril High-priority: Binding assay benazepril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.22) alpha-linolenic_acid sarcoma GAP_HIGH 0.1693 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in sarcoma cell model. Expected: similar to vorinostat (Jaccard=0.17) linaclotide duodenum_cancer GAP_HIGH 0.1693 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in duodenum_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) linaclotide gallbladder_cancer GAP_HIGH 0.1693 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in gallbladder_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) linaclotide melanoma GAP_HIGH 0.1693 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in melanoma cell model. Expected: similar to vismodegib (Jaccard=0.17) papaverine leprosy GAP_LOW 0.1693 0.14285714285714285 phenmetrazine Low-priority: Computational docking papaverine vs leprosy targets. Cross-check papaverine pharmacophore against leprosy pathway. equilin dilated_cardiomyopathy GAP_LOW 0.1693 0.1111111111111111 progesterone Low-priority: Computational docking equilin vs dilated_cardiomyopathy targets. Cross-check equilin pharmacophore against dilated_cardiomyopathy pathway. fluoxymesterone dilated_cardiomyopathy GAP_HIGH 0.1692 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to hydrocortisone (Jaccard=0.52) antazoline ankylosing_spondylitis GAP_HIGH 0.1692 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.45) probenecid celiac_disease GAP_HIGH 0.1692 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) vidarabine duodenum_cancer GAP_HIGH 0.1692 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) vidarabine gallbladder_cancer GAP_HIGH 0.1692 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) doxylamine melanoma GAP_HIGH 0.1692 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in melanoma cell model. Expected: similar to isopropamide (Jaccard=0.40) captopril liver_cancer GAP_HIGH 0.1692 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in liver_cancer cell model. Expected: similar to sunitinib (Jaccard=0.33) moexipril primary_biliary_cirrhosis GAP_HIGH 0.1692 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril thymus_cancer GAP_HIGH 0.1692 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in thymus_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost malignant_mesothelioma GAP_HIGH 0.1692 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.30) clofibrate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1692 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) mephentermine glaucoma GAP_HIGH 0.1692 0.2727272727272727 phenylpropanolamine High-priority: Binding assay mephentermine→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) spirapril ulcerative_colitis GAP_HIGH 0.1692 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in ulcerative_colitis cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil endogenous_depression GAP_HIGH 0.1692 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in endogenous_depression cell model. Expected: similar to mebendazole (Jaccard=0.25) treprostinil osteoporosis GAP_HIGH 0.1692 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.25) treprostinil psoriasis GAP_HIGH 0.1692 0.25 levobunolol High-priority: Binding assay treprostinil→?; validate in psoriasis cell model. Expected: similar to levobunolol (Jaccard=0.25) treprostinil uterine_cancer GAP_HIGH 0.1692 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in uterine_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) vorinostat nephrolithiasis GAP_HIGH 0.1692 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.25) perphenazine gout GAP_HIGH 0.1691 0.6153846153846154 pirenzepine High-priority: Binding assay perphenazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.62) acenocoumarol malaria GAP_HIGH 0.1691 0.38461538461538464 phenobarbital High-priority: Binding assay acenocoumarol→?; validate in malaria cell model. Expected: similar to phenobarbital (Jaccard=0.38) mepenzolate peripheral_nervous_system_neoplasm GAP_HIGH 0.1691 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.38) stanozolol hypertension GAP_HIGH 0.1691 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in hypertension cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) clofarabine penile_cancer GAP_HIGH 0.1691 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) pralatrexate ankylosing_spondylitis GAP_HIGH 0.1691 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) stanozolol esophageal_cancer GAP_HIGH 0.1691 0.3333333333333333 prednisone High-priority: Binding assay stanozolol→?; validate in esophageal_cancer cell model. Expected: similar to prednisone (Jaccard=0.33) tafluprost rheumatoid_arthritis GAP_HIGH 0.1691 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in rheumatoid_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) spirapril ovarian_cancer GAP_HIGH 0.1691 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in ovarian_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril uterine_cancer GAP_HIGH 0.1691 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in uterine_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil migraine GAP_HIGH 0.1691 0.25 betaxolol High-priority: Binding assay treprostinil→?; validate in migraine cell model. Expected: similar to betaxolol (Jaccard=0.25) treprostinil multiple_sclerosis GAP_HIGH 0.1691 0.25 mebendazole High-priority: Binding assay treprostinil→?; validate in multiple_sclerosis cell model. Expected: similar to mebendazole (Jaccard=0.25) pyrimethamine membranous_glomerulonephritis GAP_HIGH 0.1691 0.2222222222222222 mitiglinide High-priority: Binding assay pyrimethamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.22) pentobarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.1691 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) dextropropoxyphene meningioma GAP_HIGH 0.1691 0.21052631578947367 fentanyl High-priority: Binding assay dextropropoxyphene→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.21) dinoprost_tromethamine vaginal_cancer GAP_HIGH 0.1691 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in vaginal_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) dinoprost_tromethamine vulva_cancer GAP_HIGH 0.1691 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in vulva_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) solifenacin crohns_disease GAP_HIGH 0.1691 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in crohns_disease cell model. Expected: similar to trimipramine (Jaccard=0.18) equilin refractive_error GAP_HIGH 0.1691 0.16666666666666666 choline High-priority: Binding assay equilin→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) gliclazide chronic_obstructive_pulmonary_disease GAP_HIGH 0.169 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.41) captopril peripheral_nervous_system_neoplasm GAP_HIGH 0.169 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to crizotinib (Jaccard=0.33) captopril urinary_bladder_cancer GAP_HIGH 0.169 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in urinary_bladder_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril hematologic_cancer GAP_HIGH 0.169 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in hematologic_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) zolpidem polycystic_ovary_syndrome GAP_HIGH 0.169 0.3333333333333333 clopidogrel High-priority: Binding assay zolpidem→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clopidogrel (Jaccard=0.33) benazepril pancreatitis GAP_HIGH 0.169 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in pancreatitis cell model. Expected: similar to doxorubicin (Jaccard=0.27) tropicamide chronic_kidney_failure GAP_HIGH 0.169 0.25 chlorthalidone High-priority: Binding assay tropicamide→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.25) dinoprost_tromethamine testicular_cancer GAP_HIGH 0.169 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in testicular_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) alpha-linolenic_acid skin_cancer GAP_HIGH 0.169 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in skin_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) megestrol_acetate type_2_diabetes_mellitus GAP_HIGH 0.1689 0.5555555555555556 eplerenone High-priority: Binding assay megestrol_acetate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.56) clobazam vascular_cancer GAP_HIGH 0.1689 0.5 chlorpromazine High-priority: Binding assay clobazam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.50) terbutaline narcolepsy GAP_HIGH 0.1689 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.42) desogestrel migraine GAP_HIGH 0.1689 0.3888888888888889 ethinyl_estradiol High-priority: Binding assay desogestrel→?; validate in migraine cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.39) clofarabine malignant_mesothelioma GAP_HIGH 0.1689 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.35) flavin_adenine_dinucleotide duodenum_cancer GAP_HIGH 0.1689 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in duodenum_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide gallbladder_cancer GAP_HIGH 0.1689 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in gallbladder_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide melanoma GAP_HIGH 0.1689 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.33) clofibrate primary_biliary_cirrhosis GAP_HIGH 0.1689 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) benazepril salivary_gland_cancer GAP_HIGH 0.1689 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in salivary_gland_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) treprostinil systemic_lupus_erythematosus GAP_HIGH 0.1689 0.25 salmeterol High-priority: Binding assay treprostinil→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to salmeterol (Jaccard=0.25) triamterene meningioma GAP_HIGH 0.1689 0.25 vincristine High-priority: Binding assay triamterene→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.25) dinoprost_tromethamine vascular_cancer GAP_HIGH 0.1689 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in vascular_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.20) thiamylal thyroid_cancer GAP_HIGH 0.1689 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) equilin narcolepsy GAP_HIGH 0.1689 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in narcolepsy cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) hydrocortisone kidney_cancer GAP_HIGH 0.1688 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in kidney_cancer cell model. Expected: similar to testolactone (Jaccard=0.64) temazepam ulcerative_colitis GAP_HIGH 0.1688 0.6153846153846154 diazepam High-priority: Binding assay temazepam→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.62) methyltestosterone crohns_disease GAP_HIGH 0.1688 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in crohns_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) stanozolol migraine GAP_HIGH 0.1688 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in migraine cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) zafirlukast crohns_disease GAP_HIGH 0.1688 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.38) enalapril acquired_immunodeficiency_syndrome GAP_HIGH 0.1688 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.36) tafluprost psoriatic_arthritis GAP_HIGH 0.1688 0.3333333333333333 alcaftadine High-priority: Binding assay tafluprost→?; validate in psoriatic_arthritis cell model. Expected: similar to alcaftadine (Jaccard=0.33) methsuximide pancreatitis GAP_HIGH 0.1688 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in pancreatitis cell model. Expected: similar to cyclopentolate (Jaccard=0.31) quinapril pharynx_cancer GAP_HIGH 0.1688 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in pharynx_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) spirapril systemic_lupus_erythematosus GAP_HIGH 0.1688 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to irinotecan (Jaccard=0.25) thiamylal chronic_obstructive_pulmonary_disease GAP_HIGH 0.1688 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.20) alpha-linolenic_acid testicular_cancer GAP_HIGH 0.1688 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in testicular_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) alpha-linolenic_acid vaginal_cancer GAP_HIGH 0.1688 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in vaginal_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) alpha-linolenic_acid vulva_cancer GAP_HIGH 0.1688 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in vulva_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) dapsone pagets_disease_of_bone GAP_LOW 0.1688 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs pagets_disease_of_bone targets. Cross-check dapsone pharmacophore against pagets_disease_of_bone pathway. ibuprofen leprosy GAP_LOW 0.1688 0.13333333333333333 pomalidomide Low-priority: Computational docking ibuprofen vs leprosy targets. Cross-check ibuprofen pharmacophore against leprosy pathway. clonidine alzheimers_disease GAP_HIGH 0.1687 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in alzheimers_disease cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) clonidine autistic_disorder GAP_HIGH 0.1687 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in autistic_disorder cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) melphalan idiopathic_pulmonary_fibrosis GAP_HIGH 0.1687 0.4117647058823529 sotalol High-priority: Binding assay melphalan→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.41) diphenidol uterine_cancer GAP_HIGH 0.1687 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) benazepril rectum_cancer GAP_HIGH 0.1687 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in rectum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) mephentermine malaria GAP_HIGH 0.1687 0.25 tranylcypromine High-priority: Binding assay mephentermine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.25) quinapril ankylosing_spondylitis GAP_HIGH 0.1687 0.25 mebendazole High-priority: Binding assay quinapril→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.25) triamterene hepatitis_b GAP_HIGH 0.1687 0.2222222222222222 mitiglinide High-priority: Binding assay triamterene→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.22) solifenacin prostate_cancer GAP_HIGH 0.1687 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) alpha-linolenic_acid vascular_cancer GAP_HIGH 0.1687 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in vascular_cancer cell model. Expected: similar to vorinostat (Jaccard=0.17) sodium_tetradecyl_sulfate idiopathic_pulmonary_fibrosis GAP_LOW 0.1687 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs idiopathic_pulmonary_fibrosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against idiopathic_pulmonary_fibrosis pathway. diazepam metabolic_syndrome_x GAP_HIGH 0.1686 0.6153846153846154 temazepam High-priority: Binding assay diazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to temazepam (Jaccard=0.62) fulvestrant coronary_artery_disease GAP_HIGH 0.1686 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in coronary_artery_disease cell model. Expected: similar to levorphanol (Jaccard=0.46) diphenidol sarcoma GAP_HIGH 0.1686 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.40) benazepril ocular_cancer GAP_HIGH 0.1686 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in ocular_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) quinapril thyroid_cancer GAP_HIGH 0.1686 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in thyroid_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) spirapril skin_cancer GAP_HIGH 0.1686 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in skin_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil osteoarthritis GAP_HIGH 0.1686 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in osteoarthritis cell model. Expected: similar to penbutolol (Jaccard=0.25) treprostinil vaginal_cancer GAP_HIGH 0.1686 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in vaginal_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) treprostinil vulva_cancer GAP_HIGH 0.1686 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in vulva_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) sulpiride acquired_immunodeficiency_syndrome GAP_HIGH 0.1686 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.21) dinoprost_tromethamine uterine_fibroid GAP_HIGH 0.1686 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in uterine_fibroid cell model. Expected: similar to pemetrexed (Jaccard=0.20) polythiazide malaria GAP_HIGH 0.1686 0.1875 sulfamethizole High-priority: Binding assay polythiazide→?; validate in malaria cell model. Expected: similar to sulfamethizole (Jaccard=0.19) nitisinone primary_biliary_cirrhosis GAP_LOW 0.1686 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs primary_biliary_cirrhosis targets. Cross-check nitisinone pharmacophore against primary_biliary_cirrhosis pathway. naftifine urinary_bladder_cancer GAP_HIGH 0.1685 0.6296296296296297 diphenhydramine High-priority: Binding assay naftifine→?; validate in urinary_bladder_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.63) ethinyl_estradiol prostate_cancer GAP_HIGH 0.1685 0.5789473684210527 mestranol High-priority: Binding assay ethinyl_estradiol→?; validate in prostate_cancer cell model. Expected: similar to mestranol (Jaccard=0.58) antazoline lung_cancer GAP_HIGH 0.1685 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in lung_cancer cell model. Expected: similar to benzatropine (Jaccard=0.45) antazoline rectum_cancer GAP_HIGH 0.1685 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.45) nandrolone_phenpropionate melanoma GAP_HIGH 0.1685 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in melanoma cell model. Expected: similar to prednicarbate (Jaccard=0.38) selegiline atherosclerosis GAP_HIGH 0.1685 0.375 phentermine High-priority: Binding assay selegiline→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.38) stanozolol metabolic_syndrome_x GAP_HIGH 0.1685 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in metabolic_syndrome_x cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) captopril stomach_cancer GAP_HIGH 0.1685 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in stomach_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide sclerosing_cholangitis GAP_HIGH 0.1685 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in sclerosing_cholangitis cell model. Expected: similar to entecavir (Jaccard=0.33) lercanidipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1685 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) quinapril chronic_obstructive_pulmonary_disease GAP_HIGH 0.1685 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to penbutolol (Jaccard=0.25) spirapril testicular_cancer GAP_HIGH 0.1685 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in testicular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril vaginal_cancer GAP_HIGH 0.1685 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in vaginal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) spirapril vulva_cancer GAP_HIGH 0.1685 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in vulva_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) treprostinil testicular_cancer GAP_HIGH 0.1685 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in testicular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) losartan dilated_cardiomyopathy GAP_HIGH 0.1685 0.18181818181818182 trandolapril High-priority: Binding assay losartan→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.18) solifenacin mediastinal_cancer GAP_HIGH 0.1685 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) dextrothyroxine duodenum_cancer GAP_LOW 0.1685 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs duodenum_cancer targets. Cross-check dextrothyroxine pharmacophore against duodenum_cancer pathway. dextrothyroxine gallbladder_cancer GAP_LOW 0.1685 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs gallbladder_cancer targets. Cross-check dextrothyroxine pharmacophore against gallbladder_cancer pathway. sodium_tetradecyl_sulfate mediastinal_cancer GAP_LOW 0.1685 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs mediastinal_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against mediastinal_cancer pathway. clonidine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1684 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) isocarboxazid muscle_cancer GAP_HIGH 0.1684 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in muscle_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) vindesine systemic_lupus_erythematosus GAP_HIGH 0.1684 0.375 vinblastine High-priority: Binding assay vindesine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vinblastine (Jaccard=0.38) benzocaine celiac_disease GAP_HIGH 0.1684 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) stanozolol type_1_diabetes_mellitus GAP_HIGH 0.1684 0.3333333333333333 prednisone High-priority: Binding assay stanozolol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to prednisone (Jaccard=0.33) flutamide amyotrophic_lateral_sclerosis GAP_HIGH 0.1684 0.25 rasagiline High-priority: Binding assay flutamide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.25) treprostinil vascular_cancer GAP_HIGH 0.1684 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in vascular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) phenobarbital gilles_de_la_tourette_syndrome GAP_HIGH 0.1684 0.22727272727272727 azelastine High-priority: Binding assay phenobarbital→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to azelastine (Jaccard=0.23) thiamylal muscle_cancer GAP_HIGH 0.1684 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) solifenacin thymus_cancer GAP_HIGH 0.1684 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) alpha-linolenic_acid uterine_fibroid GAP_HIGH 0.1684 0.16666666666666666 vorinostat High-priority: Binding assay alpha-linolenic_acid→?; validate in uterine_fibroid cell model. Expected: similar to vorinostat (Jaccard=0.17) sodium_tetradecyl_sulfate gout GAP_LOW 0.1684 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs gout targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against gout pathway. sodium_tetradecyl_sulfate thymus_cancer GAP_LOW 0.1684 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs thymus_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against thymus_cancer pathway. antazoline liver_cancer GAP_HIGH 0.1683 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.45) lenalidomide ankylosing_spondylitis GAP_HIGH 0.1683 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in ankylosing_spondylitis cell model. Expected: similar to menadione (Jaccard=0.43) etonogestrel meningioma GAP_HIGH 0.1683 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in meningioma cell model. Expected: similar to norethindrone (Jaccard=0.40) mepenzolate sarcoma GAP_HIGH 0.1683 0.375 tamoxifen High-priority: Binding assay mepenzolate→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.38) clofarabine meningioma GAP_HIGH 0.1683 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.35) captopril ulcerative_colitis GAP_HIGH 0.1683 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in ulcerative_colitis cell model. Expected: similar to crizotinib (Jaccard=0.33) captopril uterine_cancer GAP_HIGH 0.1683 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in uterine_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) doxapram germ_cell_cancer GAP_HIGH 0.1683 0.3 tamoxifen High-priority: Binding assay doxapram→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) tafluprost crohns_disease GAP_HIGH 0.1683 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.30) spirapril vascular_cancer GAP_HIGH 0.1683 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in vascular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) dinoprost_tromethamine polycystic_ovary_syndrome GAP_HIGH 0.1683 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pemetrexed (Jaccard=0.20) dinoprost_tromethamine vitiligo GAP_HIGH 0.1683 0.2 pemetrexed High-priority: Binding assay dinoprost_tromethamine→?; validate in vitiligo cell model. Expected: similar to pemetrexed (Jaccard=0.20) thiamylal lung_cancer GAP_HIGH 0.1683 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in lung_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) lubiprostone brain_cancer GAP_LOW 0.1683 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs brain_cancer targets. Cross-check lubiprostone pharmacophore against brain_cancer pathway. lubiprostone intracranial_aneurysm GAP_LOW 0.1683 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs intracranial_aneurysm targets. Cross-check lubiprostone pharmacophore against intracranial_aneurysm pathway. tauroursodeoxycholic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1683 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. mesalazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1682 0.6666666666666666 isoprenaline High-priority: Binding assay mesalazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to isoprenaline (Jaccard=0.67) diazepam obesity GAP_HIGH 0.1682 0.6153846153846154 temazepam High-priority: Binding assay diazepam→?; validate in obesity cell model. Expected: similar to temazepam (Jaccard=0.62) loxapine membranous_glomerulonephritis GAP_HIGH 0.1682 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.58) methyltestosterone primary_biliary_cirrhosis GAP_HIGH 0.1682 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) levonordefrin germ_cell_cancer GAP_HIGH 0.1682 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) dimetindene lung_cancer GAP_HIGH 0.1682 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in lung_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) dimetindene rectum_cancer GAP_HIGH 0.1682 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in rectum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) doxylamine thyroid_cancer GAP_HIGH 0.1682 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) captopril ovarian_cancer GAP_HIGH 0.1682 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in ovarian_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) captopril sarcoma GAP_HIGH 0.1682 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in sarcoma cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril duodenum_cancer GAP_HIGH 0.1682 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in duodenum_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril gallbladder_cancer GAP_HIGH 0.1682 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in gallbladder_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril melanoma GAP_HIGH 0.1682 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in melanoma cell model. Expected: similar to topotecan (Jaccard=0.33) methsuximide peripheral_nervous_system_neoplasm GAP_HIGH 0.1682 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.31) doxapram focal_segmental_glomerulosclerosis GAP_HIGH 0.1682 0.2857142857142857 propiomazine High-priority: Binding assay doxapram→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.29) pemetrexed lymphatic_system_cancer GAP_HIGH 0.1682 0.2857142857142857 gemcitabine High-priority: Binding assay pemetrexed→?; validate in lymphatic_system_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) alcaftadine dilated_cardiomyopathy GAP_HIGH 0.1682 0.25 milrinone High-priority: Binding assay alcaftadine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) quinapril salivary_gland_cancer GAP_HIGH 0.1682 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in salivary_gland_cancer cell model. Expected: similar to penbutolol (Jaccard=0.25) triamterene prostate_cancer GAP_HIGH 0.1682 0.25 warfarin High-priority: Binding assay triamterene→?; validate in prostate_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) solifenacin coronary_artery_disease GAP_HIGH 0.1682 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in coronary_artery_disease cell model. Expected: similar to trimipramine (Jaccard=0.18) dextropropoxyphene lymphatic_system_cancer GAP_HIGH 0.1682 0.16666666666666666 aciclovir High-priority: Binding assay dextropropoxyphene→?; validate in lymphatic_system_cancer cell model. Expected: similar to aciclovir (Jaccard=0.17) sodium_tetradecyl_sulfate hematologic_cancer GAP_LOW 0.1682 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs hematologic_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against hematologic_cancer pathway. antazoline peripheral_nervous_system_neoplasm GAP_HIGH 0.1681 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.45) lenalidomide epilepsy_syndrome GAP_HIGH 0.1681 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in epilepsy_syndrome cell model. Expected: similar to menadione (Jaccard=0.43) melphalan hematologic_cancer GAP_HIGH 0.1681 0.4117647058823529 sotalol High-priority: Binding assay melphalan→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.41) diphenidol vaginal_cancer GAP_HIGH 0.1681 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) diphenidol vulva_cancer GAP_HIGH 0.1681 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.40) stanozolol obesity GAP_HIGH 0.1681 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in obesity cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) zafirlukast primary_biliary_cirrhosis GAP_HIGH 0.1681 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.38) treprostinil uterine_fibroid GAP_HIGH 0.1681 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in uterine_fibroid cell model. Expected: similar to metipranolol (Jaccard=0.25) triamterene mediastinal_cancer GAP_HIGH 0.1681 0.25 warfarin High-priority: Binding assay triamterene→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) trimethoprim glaucoma GAP_HIGH 0.1681 0.21428571428571427 l-carnitine High-priority: Binding assay trimethoprim→?; validate in glaucoma cell model. Expected: similar to l-carnitine (Jaccard=0.21) caffeine esophageal_cancer GAP_HIGH 0.1681 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) alfacalcidol barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking alfacalcidol vs barretts_esophagus targets. Cross-check alfacalcidol pharmacophore against barretts_esophagus pathway. calcidiol barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking calcidiol vs barretts_esophagus targets. Cross-check calcidiol pharmacophore against barretts_esophagus pathway. calcipotriol barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking calcipotriol vs barretts_esophagus targets. Cross-check calcipotriol pharmacophore against barretts_esophagus pathway. ceruletide barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking ceruletide vs barretts_esophagus targets. Cross-check ceruletide pharmacophore against barretts_esophagus pathway. dihydrotachysterol barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking dihydrotachysterol vs barretts_esophagus targets. Cross-check dihydrotachysterol pharmacophore against barretts_esophagus pathway. doxapram barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking doxapram vs barretts_esophagus targets. Cross-check doxapram pharmacophore against barretts_esophagus pathway. olanzapine barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking olanzapine vs barretts_esophagus targets. Cross-check olanzapine pharmacophore against barretts_esophagus pathway. ziprasidone barretts_esophagus GAP_LOW 0.1681 0.0 pantoprazole Low-priority: Computational docking ziprasidone vs barretts_esophagus targets. Cross-check ziprasidone pharmacophore against barretts_esophagus pathway. clomipramine pancreatitis GAP_HIGH 0.168 0.75 chlorpromazine High-priority: Binding assay clomipramine→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.75) zuclopenthixol focal_segmental_glomerulosclerosis GAP_HIGH 0.168 0.6 perphenazine High-priority: Binding assay zuclopenthixol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to perphenazine (Jaccard=0.60) diethylstilbestrol malignant_mesothelioma GAP_HIGH 0.168 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in malignant_mesothelioma cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) clonidine hypertension GAP_HIGH 0.168 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in hypertension cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) dimetindene liver_cancer GAP_HIGH 0.168 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in liver_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) ethynodiol mediastinal_cancer GAP_HIGH 0.168 0.4 prednicarbate High-priority: Binding assay ethynodiol→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.40) vismodegib leprosy GAP_HIGH 0.168 0.34782608695652173 sulfapyridine High-priority: Binding assay vismodegib→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.35) captopril systemic_lupus_erythematosus GAP_HIGH 0.168 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.33) cilazapril germ_cell_cancer GAP_HIGH 0.168 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) eprosartan pancreatic_cancer GAP_HIGH 0.168 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in pancreatic_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.25) spirapril uterine_fibroid GAP_HIGH 0.168 0.25 irinotecan High-priority: Binding assay spirapril→?; validate in uterine_fibroid cell model. Expected: similar to irinotecan (Jaccard=0.25) thiamylal urinary_bladder_cancer GAP_HIGH 0.168 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) alpha-linolenic_acid alcohol_dependence GAP_LOW 0.168 0.06666666666666667 naloxone Low-priority: Computational docking alpha-linolenic_acid vs alcohol_dependence targets. Cross-check alpha-linolenic_acid pharmacophore against alcohol_dependence pathway. bromodiphenhydramine stomach_cancer GAP_HIGH 0.1679 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in stomach_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) oxybuprocaine gout GAP_HIGH 0.1679 0.4782608695652174 procaine High-priority: Binding assay oxybuprocaine→?; validate in gout cell model. Expected: similar to procaine (Jaccard=0.48) dydrogesterone head_and_neck_cancer GAP_HIGH 0.1679 0.47058823529411764 medrysone High-priority: Binding assay dydrogesterone→?; validate in head_and_neck_cancer cell model. Expected: similar to medrysone (Jaccard=0.47) methyltestosterone coronary_artery_disease GAP_HIGH 0.1679 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in coronary_artery_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) estazolam ulcerative_colitis GAP_HIGH 0.1679 0.46153846153846156 diazepam High-priority: Binding assay estazolam→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.46) tripelennamine gilles_de_la_tourette_syndrome GAP_HIGH 0.1679 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.43) ethynodiol thymus_cancer GAP_HIGH 0.1679 0.4 prednicarbate High-priority: Binding assay ethynodiol→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.40) zafirlukast coronary_artery_disease GAP_HIGH 0.1679 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.38) alcaftadine metabolic_syndrome_x GAP_HIGH 0.1679 0.3333333333333333 azatadine High-priority: Binding assay alcaftadine→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.33) mephentermine refractive_error GAP_HIGH 0.1679 0.2727272727272727 phenylpropanolamine High-priority: Binding assay mephentermine→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) quinapril ocular_cancer GAP_HIGH 0.1679 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in ocular_cancer cell model. Expected: similar to penbutolol (Jaccard=0.25) treprostinil restless_legs_syndrome GAP_HIGH 0.1679 0.25 betaxolol High-priority: Binding assay treprostinil→?; validate in restless_legs_syndrome cell model. Expected: similar to betaxolol (Jaccard=0.25) triamterene thymus_cancer GAP_HIGH 0.1679 0.25 warfarin High-priority: Binding assay triamterene→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) trifluridine bone_cancer GAP_HIGH 0.1679 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay trifluridine→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) bromodiphenhydramine pancreatic_cancer GAP_HIGH 0.1678 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in pancreatic_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) estazolam psoriasis GAP_HIGH 0.1678 0.46153846153846156 diazepam High-priority: Binding assay estazolam→?; validate in psoriasis cell model. Expected: similar to diazepam (Jaccard=0.46) tripelennamine azoospermia GAP_HIGH 0.1678 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in azoospermia cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) sotalol malignant_mesothelioma GAP_HIGH 0.1678 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.41) nandrolone_phenpropionate pharynx_cancer GAP_HIGH 0.1678 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in pharynx_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril skin_cancer GAP_HIGH 0.1678 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in skin_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril sclerosing_cholangitis GAP_HIGH 0.1678 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in sclerosing_cholangitis cell model. Expected: similar to topotecan (Jaccard=0.33) clofibrate duodenum_cancer GAP_HIGH 0.1678 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) clofibrate gallbladder_cancer GAP_HIGH 0.1678 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) quinestrol primary_biliary_cirrhosis GAP_HIGH 0.1678 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to prednisone (Jaccard=0.28) benazepril colon_cancer GAP_HIGH 0.1678 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in colon_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) eprosartan osteoporosis GAP_HIGH 0.1678 0.25 tolbutamide High-priority: Binding assay eprosartan→?; validate in osteoporosis cell model. Expected: similar to tolbutamide (Jaccard=0.25) treprostinil vitiligo GAP_HIGH 0.1678 0.25 metipranolol High-priority: Binding assay treprostinil→?; validate in vitiligo cell model. Expected: similar to metipranolol (Jaccard=0.25) linaclotide lung_cancer GAP_HIGH 0.1678 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in lung_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) linaclotide rectum_cancer GAP_HIGH 0.1678 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in rectum_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) bromodiphenhydramine multiple_sclerosis GAP_HIGH 0.1677 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in multiple_sclerosis cell model. Expected: similar to brompheniramine (Jaccard=0.50) docetaxel lung_cancer GAP_HIGH 0.1677 0.5 lapatinib High-priority: Binding assay docetaxel→?; validate in lung_cancer cell model. Expected: similar to lapatinib (Jaccard=0.50) diphenidol uterine_fibroid GAP_HIGH 0.1677 0.4 tamoxifen High-priority: Binding assay diphenidol→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.40) doxylamine muscle_cancer GAP_HIGH 0.1677 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) vindesine systemic_scleroderma GAP_HIGH 0.1677 0.375 vinblastine High-priority: Binding assay vindesine→?; validate in systemic_scleroderma cell model. Expected: similar to vinblastine (Jaccard=0.38) captopril vaginal_cancer GAP_HIGH 0.1677 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in vaginal_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) captopril vulva_cancer GAP_HIGH 0.1677 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in vulva_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) tafluprost mediastinal_cancer GAP_HIGH 0.1677 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) tafluprost primary_biliary_cirrhosis GAP_HIGH 0.1677 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.30) primidone hematologic_cancer GAP_HIGH 0.1677 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in hematologic_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.22) primidone narcolepsy GAP_HIGH 0.1677 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in narcolepsy cell model. Expected: similar to phenmetrazine (Jaccard=0.22) clenbuterol larynx_cancer GAP_HIGH 0.1677 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) glutethimide alcohol_dependence GAP_HIGH 0.1677 0.16326530612244897 mazindol High-priority: Binding assay glutethimide→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.16) diazepam type_2_diabetes_mellitus GAP_HIGH 0.1676 0.6153846153846154 temazepam High-priority: Binding assay diazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to temazepam (Jaccard=0.62) levonordefrin penile_cancer GAP_HIGH 0.1676 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) tranylcypromine crohns_disease GAP_HIGH 0.1676 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) gliclazide atopic_dermatitis GAP_HIGH 0.1676 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.41) doxylamine lung_cancer GAP_HIGH 0.1676 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in lung_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) diphenidol penile_cancer GAP_HIGH 0.1676 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.38) nandrolone_phenpropionate thyroid_cancer GAP_HIGH 0.1676 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in thyroid_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) stanozolol restless_legs_syndrome GAP_HIGH 0.1676 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in restless_legs_syndrome cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) clofarabine prostate_cancer GAP_HIGH 0.1676 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) captopril testicular_cancer GAP_HIGH 0.1676 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in testicular_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide pancreatitis GAP_HIGH 0.1676 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.33) pralatrexate breast_cancer GAP_HIGH 0.1676 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in breast_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) quinethazone germ_cell_cancer GAP_HIGH 0.1676 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) moexipril type_1_diabetes_mellitus GAP_HIGH 0.1676 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.30) tafluprost thymus_cancer GAP_HIGH 0.1676 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) benazepril ulcerative_colitis GAP_HIGH 0.1676 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in ulcerative_colitis cell model. Expected: similar to doxorubicin (Jaccard=0.27) quinapril peripheral_nervous_system_neoplasm GAP_HIGH 0.1676 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to penbutolol (Jaccard=0.25) treprostinil rheumatoid_arthritis GAP_HIGH 0.1676 0.25 penbutolol High-priority: Binding assay treprostinil→?; validate in rheumatoid_arthritis cell model. Expected: similar to penbutolol (Jaccard=0.25) tropicamide membranous_glomerulonephritis GAP_HIGH 0.1676 0.25 chlorthalidone High-priority: Binding assay tropicamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.25) vorinostat membranous_glomerulonephritis GAP_HIGH 0.1676 0.25 adefovir_dipivoxil High-priority: Binding assay vorinostat→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.25) equilin primary_biliary_cirrhosis GAP_HIGH 0.1676 0.17647058823529413 drostanolone High-priority: Binding assay equilin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drostanolone (Jaccard=0.18) linaclotide liver_cancer GAP_HIGH 0.1676 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in liver_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) diazepam vitiligo GAP_HIGH 0.1675 0.6153846153846154 temazepam High-priority: Binding assay diazepam→?; validate in vitiligo cell model. Expected: similar to temazepam (Jaccard=0.62) estazolam systemic_lupus_erythematosus GAP_HIGH 0.1675 0.46153846153846156 diazepam High-priority: Binding assay estazolam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diazepam (Jaccard=0.46) antazoline ulcerative_colitis GAP_HIGH 0.1675 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in ulcerative_colitis cell model. Expected: similar to benzatropine (Jaccard=0.45) nandrolone_phenpropionate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1675 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to prednicarbate (Jaccard=0.38) stanozolol type_2_diabetes_mellitus GAP_HIGH 0.1675 0.375 testosterone_propionate High-priority: Binding assay stanozolol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to testosterone_propionate (Jaccard=0.38) captopril vascular_cancer GAP_HIGH 0.1675 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in vascular_cancer cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril pharynx_cancer GAP_HIGH 0.1675 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in pharynx_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) pralatrexate colon_cancer GAP_HIGH 0.1675 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in colon_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) doxapram glaucoma GAP_HIGH 0.1675 0.2857142857142857 metaraminol High-priority: Binding assay doxapram→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.29) candesartan pharynx_cancer GAP_HIGH 0.1675 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in pharynx_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) estriol leprosy GAP_LOW 0.1675 0.1111111111111111 menadione Low-priority: Computational docking estriol vs leprosy targets. Cross-check estriol pharmacophore against leprosy pathway. loxapine crohns_disease GAP_HIGH 0.1674 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in crohns_disease cell model. Expected: similar to azelastine (Jaccard=0.58) amoxapine kidney_cancer GAP_HIGH 0.1674 0.5 quinacrine High-priority: Binding assay amoxapine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.50) levonordefrin malignant_mesothelioma GAP_HIGH 0.1674 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.46) amoxapine malaria GAP_HIGH 0.1674 0.4583333333333333 butabarbital High-priority: Binding assay amoxapine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.46) amoxapine atherosclerosis GAP_HIGH 0.1674 0.45454545454545453 flurbiprofen High-priority: Binding assay amoxapine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.45) tolterodine chronic_kidney_failure GAP_HIGH 0.1674 0.4444444444444444 doxepin High-priority: Binding assay tolterodine→?; validate in chronic_kidney_failure cell model. Expected: similar to doxepin (Jaccard=0.44) gliclazide psoriasis GAP_HIGH 0.1674 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.41) sulfamethizole type_1_diabetes_mellitus GAP_HIGH 0.1674 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to sulfapyridine (Jaccard=0.40) isocarboxazid breast_cancer GAP_HIGH 0.1674 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in breast_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) clofarabine mediastinal_cancer GAP_HIGH 0.1674 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) cilazapril penile_cancer GAP_HIGH 0.1674 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in penile_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) pentobarbital kidney_cancer GAP_HIGH 0.1674 0.21739130434782608 quinacrine High-priority: Binding assay pentobarbital→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.22) polythiazide gilles_de_la_tourette_syndrome GAP_HIGH 0.1674 0.2 mazindol High-priority: Binding assay polythiazide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to mazindol (Jaccard=0.20) solifenacin melanoma GAP_HIGH 0.1674 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.18) linaclotide peripheral_nervous_system_neoplasm GAP_HIGH 0.1674 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to vismodegib (Jaccard=0.17) lubiprostone kidney_cancer GAP_LOW 0.1674 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs kidney_cancer targets. Cross-check lubiprostone pharmacophore against kidney_cancer pathway. lubiprostone malignant_glioma GAP_LOW 0.1674 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs malignant_glioma targets. Cross-check lubiprostone pharmacophore against malignant_glioma pathway. sodium_tetradecyl_sulfate melanoma GAP_LOW 0.1674 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs melanoma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against melanoma pathway. chlorprothixene kidney_cancer GAP_HIGH 0.1673 0.6086956521739131 quinacrine High-priority: Binding assay chlorprothixene→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.61) mefenamic_acid refractive_error GAP_HIGH 0.1673 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.54) megestrol_acetate kidney_cancer GAP_HIGH 0.1673 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in kidney_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.50) antazoline sarcoma GAP_HIGH 0.1673 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.45) doxylamine urinary_bladder_cancer GAP_HIGH 0.1673 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) isocarboxazid pancreatic_cancer GAP_HIGH 0.1673 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) clofarabine thymus_cancer GAP_HIGH 0.1673 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) captopril systemic_scleroderma GAP_HIGH 0.1673 0.3333333333333333 sunitinib High-priority: Binding assay captopril→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.33) flavin_adenine_dinucleotide lung_cancer GAP_HIGH 0.1673 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in lung_cancer cell model. Expected: similar to entecavir (Jaccard=0.33) flavin_adenine_dinucleotide rectum_cancer GAP_HIGH 0.1673 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in rectum_cancer cell model. Expected: similar to entecavir (Jaccard=0.33) norelgestromin esophageal_cancer GAP_HIGH 0.1673 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in esophageal_cancer cell model. Expected: similar to betamethasone (Jaccard=0.33) pralatrexate psoriasis GAP_HIGH 0.1673 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in psoriasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) methsuximide sarcoma GAP_HIGH 0.1673 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.31) l-arginine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1673 0.3 epinephrine High-priority: Binding assay l-arginine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.30) benazepril systemic_lupus_erythematosus GAP_HIGH 0.1673 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to doxorubicin (Jaccard=0.27) flutamide systemic_lupus_erythematosus GAP_HIGH 0.1673 0.25 bumetanide High-priority: Binding assay flutamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to bumetanide (Jaccard=0.25) vorinostat germ_cell_cancer GAP_HIGH 0.1673 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) pentobarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.1673 0.20833333333333334 chlorprothixene High-priority: Binding assay pentobarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.21) primidone head_and_neck_cancer GAP_HIGH 0.1673 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in head_and_neck_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) bimatoprost dilated_cardiomyopathy GAP_HIGH 0.1673 0.16666666666666666 milrinone High-priority: Binding assay bimatoprost→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.17) vitamin_c atopic_dermatitis GAP_HIGH 0.1673 0.16666666666666666 dopamine High-priority: Binding assay vitamin_c→?; validate in atopic_dermatitis cell model. Expected: similar to dopamine (Jaccard=0.17) lubiprostone nephrolithiasis GAP_LOW 0.1673 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs nephrolithiasis targets. Cross-check lubiprostone pharmacophore against nephrolithiasis pathway. megestrol_acetate nephrolithiasis GAP_HIGH 0.1672 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in nephrolithiasis cell model. Expected: similar to dydrogesterone (Jaccard=0.50) isocarboxazid psoriasis GAP_HIGH 0.1672 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in psoriasis cell model. Expected: similar to phentermine (Jaccard=0.38) isocarboxazid ulcerative_colitis GAP_HIGH 0.1672 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.38) nandrolone_phenpropionate salivary_gland_cancer GAP_HIGH 0.1672 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in salivary_gland_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) captopril uterine_fibroid GAP_HIGH 0.1672 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in uterine_fibroid cell model. Expected: similar to crizotinib (Jaccard=0.33) flavin_adenine_dinucleotide liver_cancer GAP_HIGH 0.1672 0.3333333333333333 adenosine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in liver_cancer cell model. Expected: similar to adenosine (Jaccard=0.33) moexipril thyroid_cancer GAP_HIGH 0.1672 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in thyroid_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) pralatrexate multiple_sclerosis GAP_HIGH 0.1672 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in multiple_sclerosis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) halazepam narcolepsy GAP_HIGH 0.1672 0.2857142857142857 nitrazepam High-priority: Binding assay halazepam→?; validate in narcolepsy cell model. Expected: similar to nitrazepam (Jaccard=0.29) candesartan thyroid_cancer GAP_HIGH 0.1672 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in thyroid_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) flutamide metabolic_syndrome_x GAP_HIGH 0.1672 0.25 glyburide High-priority: Binding assay flutamide→?; validate in metabolic_syndrome_x cell model. Expected: similar to glyburide (Jaccard=0.25) l-carnitine esophageal_cancer GAP_HIGH 0.1672 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) aminoglutethimide focal_segmental_glomerulosclerosis GAP_HIGH 0.1672 0.2 chlorthalidone High-priority: Binding assay aminoglutethimide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.20) primidone kidney_cancer GAP_HIGH 0.1672 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in kidney_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril larynx_cancer GAP_HIGH 0.1672 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) nitisinone sclerosing_cholangitis GAP_LOW 0.1672 0.14285714285714285 epirubicin Low-priority: Computational docking nitisinone vs sclerosing_cholangitis targets. Cross-check nitisinone pharmacophore against sclerosing_cholangitis pathway. aminophenazone alcohol_dependence GAP_LOW 0.1672 0.1111111111111111 naloxone Low-priority: Computational docking aminophenazone vs alcohol_dependence targets. Cross-check aminophenazone pharmacophore against alcohol_dependence pathway. fluocinonide metabolic_syndrome_x GAP_HIGH 0.1671 0.5625 amcinonide High-priority: Binding assay fluocinonide→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.56) diethylstilbestrol crohns_disease GAP_HIGH 0.1671 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in crohns_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) bromodiphenhydramine testicular_cancer GAP_HIGH 0.1671 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in testicular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) dimetindene uterine_cancer GAP_HIGH 0.1671 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in uterine_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) lenalidomide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1671 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to menadione (Jaccard=0.43) isocarboxazid multiple_sclerosis GAP_HIGH 0.1671 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in multiple_sclerosis cell model. Expected: similar to phentermine (Jaccard=0.38) nandrolone_phenpropionate muscle_cancer GAP_HIGH 0.1671 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in muscle_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) vindesine rheumatoid_arthritis GAP_HIGH 0.1671 0.375 vinblastine High-priority: Binding assay vindesine→?; validate in rheumatoid_arthritis cell model. Expected: similar to vinblastine (Jaccard=0.38) zafirlukast duodenum_cancer GAP_HIGH 0.1671 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast gallbladder_cancer GAP_HIGH 0.1671 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast melanoma GAP_HIGH 0.1671 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.38) ibuprofen membranous_glomerulonephritis GAP_HIGH 0.1671 0.2857142857142857 bumetanide High-priority: Binding assay ibuprofen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.29) amodiaquine malignant_mesothelioma GAP_HIGH 0.1671 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.27) benazepril skin_cancer GAP_HIGH 0.1671 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in skin_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) cilazapril malignant_mesothelioma GAP_HIGH 0.1671 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in malignant_mesothelioma cell model. Expected: similar to irinotecan (Jaccard=0.25) quinapril atopic_dermatitis GAP_HIGH 0.1671 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in atopic_dermatitis cell model. Expected: similar to penbutolol (Jaccard=0.25) trimethoprim membranous_glomerulonephritis GAP_HIGH 0.1671 0.2222222222222222 trifluridine High-priority: Binding assay trimethoprim→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluridine (Jaccard=0.22) primidone nephrolithiasis GAP_HIGH 0.1671 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in nephrolithiasis cell model. Expected: similar to pantoprazole (Jaccard=0.20) telbivudine kidney_cancer GAP_HIGH 0.1671 0.2 benzocaine High-priority: Binding assay telbivudine→?; validate in kidney_cancer cell model. Expected: similar to benzocaine (Jaccard=0.20) thiamylal sarcoma GAP_HIGH 0.1671 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.20) equilin epilepsy_syndrome GAP_HIGH 0.1671 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in epilepsy_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) lubiprostone celiac_disease GAP_LOW 0.1671 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs celiac_disease targets. Cross-check lubiprostone pharmacophore against celiac_disease pathway. aminophenazone pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking aminophenazone vs pagets_disease_of_bone targets. Cross-check aminophenazone pharmacophore against pagets_disease_of_bone pathway. aprobarbital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking aprobarbital vs pagets_disease_of_bone targets. Cross-check aprobarbital pharmacophore against pagets_disease_of_bone pathway. butabarbital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking butabarbital vs pagets_disease_of_bone targets. Cross-check butabarbital pharmacophore against pagets_disease_of_bone pathway. butethal pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking butethal vs pagets_disease_of_bone targets. Cross-check butethal pharmacophore against pagets_disease_of_bone pathway. clenbuterol pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking clenbuterol vs pagets_disease_of_bone targets. Cross-check clenbuterol pharmacophore against pagets_disease_of_bone pathway. equilin pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking equilin vs pagets_disease_of_bone targets. Cross-check equilin pharmacophore against pagets_disease_of_bone pathway. heptabarbital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking heptabarbital vs pagets_disease_of_bone targets. Cross-check heptabarbital pharmacophore against pagets_disease_of_bone pathway. methohexital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking methohexital vs pagets_disease_of_bone targets. Cross-check methohexital pharmacophore against pagets_disease_of_bone pathway. pentobarbital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking pentobarbital vs pagets_disease_of_bone targets. Cross-check pentobarbital pharmacophore against pagets_disease_of_bone pathway. phenobarbital pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking phenobarbital vs pagets_disease_of_bone targets. Cross-check phenobarbital pharmacophore against pagets_disease_of_bone pathway. primidone pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking primidone vs pagets_disease_of_bone targets. Cross-check primidone pharmacophore against pagets_disease_of_bone pathway. quazepam pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking quazepam vs pagets_disease_of_bone targets. Cross-check quazepam pharmacophore against pagets_disease_of_bone pathway. talbutal pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking talbutal vs pagets_disease_of_bone targets. Cross-check talbutal pharmacophore against pagets_disease_of_bone pathway. tetracycline pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking tetracycline vs pagets_disease_of_bone targets. Cross-check tetracycline pharmacophore against pagets_disease_of_bone pathway. thiamylal pagets_disease_of_bone GAP_LOW 0.1671 0.0 ibandronate Low-priority: Computational docking thiamylal vs pagets_disease_of_bone targets. Cross-check thiamylal pharmacophore against pagets_disease_of_bone pathway. loxapine prostate_cancer GAP_HIGH 0.167 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.58) bromodiphenhydramine vascular_cancer GAP_HIGH 0.167 0.5 brompheniramine High-priority: Binding assay bromodiphenhydramine→?; validate in vascular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.50) megestrol_acetate celiac_disease GAP_HIGH 0.167 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in celiac_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.50) suprofen azoospermia GAP_HIGH 0.167 0.5 naproxen High-priority: Binding assay suprofen→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.50) terbutaline epilepsy_syndrome GAP_HIGH 0.167 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.42) nilotinib pancreatic_cancer GAP_HIGH 0.167 0.4 pazopanib High-priority: Binding assay nilotinib→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.40) pralatrexate systemic_lupus_erythematosus GAP_HIGH 0.167 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) quinethazone penile_cancer GAP_HIGH 0.167 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) benazepril vaginal_cancer GAP_HIGH 0.167 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in vaginal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) benazepril vulva_cancer GAP_HIGH 0.167 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in vulva_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) pentobarbital chronic_kidney_failure GAP_HIGH 0.167 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) choline bone_cancer GAP_HIGH 0.167 0.2 histamine_phosphate High-priority: Binding assay choline→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) dextrothyroxine lung_cancer GAP_LOW 0.167 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs lung_cancer targets. Cross-check dextrothyroxine pharmacophore against lung_cancer pathway. nicardipine leprosy GAP_LOW 0.167 0.1111111111111111 phenmetrazine Low-priority: Computational docking nicardipine vs leprosy targets. Cross-check nicardipine pharmacophore against leprosy pathway. phenelzine pharynx_cancer GAP_HIGH 0.1669 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in pharynx_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) tranylcypromine gout GAP_HIGH 0.1669 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in gout cell model. Expected: similar to sulfanilamide (Jaccard=0.45) lenalidomide panic_disorder GAP_HIGH 0.1669 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in panic_disorder cell model. Expected: similar to menadione (Jaccard=0.43) gliclazide skin_cancer GAP_HIGH 0.1669 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.41) sotalol crohns_disease GAP_HIGH 0.1669 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.41) isocarboxazid systemic_lupus_erythematosus GAP_HIGH 0.1669 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.38) nandrolone_phenpropionate ocular_cancer GAP_HIGH 0.1669 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in ocular_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) moexipril pancreatitis GAP_HIGH 0.1669 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in pancreatitis cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril salivary_gland_cancer GAP_HIGH 0.1669 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in salivary_gland_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) quinapril psoriasis GAP_HIGH 0.1669 0.25 levobunolol High-priority: Binding assay quinapril→?; validate in psoriasis cell model. Expected: similar to levobunolol (Jaccard=0.25) thiamylal systemic_lupus_erythematosus GAP_HIGH 0.1669 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.20) linaclotide colon_cancer GAP_HIGH 0.1669 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in colon_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) sodium_lauryl_sulfate crohns_disease GAP_HIGH 0.1669 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in crohns_disease cell model. Expected: similar to cyclandelate (Jaccard=0.17) dextrothyroxine atherosclerosis GAP_LOW 0.1669 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs atherosclerosis targets. Cross-check dextrothyroxine pharmacophore against atherosclerosis pathway. alitretinoin barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking alitretinoin vs barretts_esophagus targets. Cross-check alitretinoin pharmacophore against barretts_esophagus pathway. alprazolam barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking alprazolam vs barretts_esophagus targets. Cross-check alprazolam pharmacophore against barretts_esophagus pathway. azacitidine barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking azacitidine vs barretts_esophagus targets. Cross-check azacitidine pharmacophore against barretts_esophagus pathway. danazol barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking danazol vs barretts_esophagus targets. Cross-check danazol pharmacophore against barretts_esophagus pathway. diclofenamide barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking diclofenamide vs barretts_esophagus targets. Cross-check diclofenamide pharmacophore against barretts_esophagus pathway. dipivefrin barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking dipivefrin vs barretts_esophagus targets. Cross-check dipivefrin pharmacophore against barretts_esophagus pathway. droperidol barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking droperidol vs barretts_esophagus targets. Cross-check droperidol pharmacophore against barretts_esophagus pathway. etonogestrel barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking etonogestrel vs barretts_esophagus targets. Cross-check etonogestrel pharmacophore against barretts_esophagus pathway. fluspirilene barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking fluspirilene vs barretts_esophagus targets. Cross-check fluspirilene pharmacophore against barretts_esophagus pathway. furosemide barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking furosemide vs barretts_esophagus targets. Cross-check furosemide pharmacophore against barretts_esophagus pathway. metolazone barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking metolazone vs barretts_esophagus targets. Cross-check metolazone pharmacophore against barretts_esophagus pathway. nandrolone_phenpropionate barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking nandrolone_phenpropionate vs barretts_esophagus targets. Cross-check nandrolone_phenpropionate pharmacophore against barretts_esophagus pathway. norelgestromin barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking norelgestromin vs barretts_esophagus targets. Cross-check norelgestromin pharmacophore against barretts_esophagus pathway. regadenoson barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking regadenoson vs barretts_esophagus targets. Cross-check regadenoson pharmacophore against barretts_esophagus pathway. stanozolol barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking stanozolol vs barretts_esophagus targets. Cross-check stanozolol pharmacophore against barretts_esophagus pathway. tolmetin barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking tolmetin vs barretts_esophagus targets. Cross-check tolmetin pharmacophore against barretts_esophagus pathway. tretinoin barretts_esophagus GAP_LOW 0.1669 0.0 pantoprazole Low-priority: Computational docking tretinoin vs barretts_esophagus targets. Cross-check tretinoin pharmacophore against barretts_esophagus pathway. methyltestosterone sclerosing_cholangitis GAP_HIGH 0.1668 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in sclerosing_cholangitis cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) levonordefrin meningioma GAP_HIGH 0.1668 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.46) lenalidomide asthma GAP_HIGH 0.1668 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in asthma cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide atopic_dermatitis GAP_HIGH 0.1668 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in atopic_dermatitis cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide breast_cancer GAP_HIGH 0.1668 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in breast_cancer cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide conduct_disorder GAP_HIGH 0.1668 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in conduct_disorder cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide schizophrenia GAP_HIGH 0.1668 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in schizophrenia cell model. Expected: similar to menadione (Jaccard=0.43) vidarabine breast_cancer GAP_HIGH 0.1668 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) vidarabine colon_cancer GAP_HIGH 0.1668 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) diphenidol meningioma GAP_HIGH 0.1668 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.38) isocarboxazid metabolic_syndrome_x GAP_HIGH 0.1668 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in metabolic_syndrome_x cell model. Expected: similar to phentermine (Jaccard=0.38) captopril vitiligo GAP_HIGH 0.1668 0.3333333333333333 crizotinib High-priority: Binding assay captopril→?; validate in vitiligo cell model. Expected: similar to crizotinib (Jaccard=0.33) moexipril muscle_cancer GAP_HIGH 0.1668 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in muscle_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) quinethazone malignant_mesothelioma GAP_HIGH 0.1668 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.31) aminocaproic_acid migraine GAP_HIGH 0.1668 0.2857142857142857 aminolevulinic_acid High-priority: Binding assay aminocaproic_acid→?; validate in migraine cell model. Expected: similar to aminolevulinic_acid (Jaccard=0.29) benazepril vascular_cancer GAP_HIGH 0.1668 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in vascular_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) candesartan salivary_gland_cancer GAP_HIGH 0.1668 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in salivary_gland_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) flutamide obesity GAP_HIGH 0.1668 0.25 glyburide High-priority: Binding assay flutamide→?; validate in obesity cell model. Expected: similar to glyburide (Jaccard=0.25) quinapril osteoporosis GAP_HIGH 0.1668 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.25) quinapril uterine_cancer GAP_HIGH 0.1668 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in uterine_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) trimethoprim refractive_error GAP_HIGH 0.1668 0.21428571428571427 l-carnitine High-priority: Binding assay trimethoprim→?; validate in refractive_error cell model. Expected: similar to l-carnitine (Jaccard=0.21) dextrothyroxine liver_cancer GAP_LOW 0.1668 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs liver_cancer targets. Cross-check dextrothyroxine pharmacophore against liver_cancer pathway. fluocinonide obesity GAP_HIGH 0.1667 0.5625 amcinonide High-priority: Binding assay fluocinonide→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.56) diethylstilbestrol prostate_cancer GAP_HIGH 0.1667 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in prostate_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) lenalidomide allergic_rhinitis GAP_HIGH 0.1667 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in allergic_rhinitis cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide bipolar_disorder GAP_HIGH 0.1667 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in bipolar_disorder cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide hypertension GAP_HIGH 0.1667 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in hypertension cell model. Expected: similar to menadione (Jaccard=0.43) doxylamine pancreatic_cancer GAP_HIGH 0.1667 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in pancreatic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) doxylamine stomach_cancer GAP_HIGH 0.1667 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in stomach_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) isocarboxazid skin_cancer GAP_HIGH 0.1667 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) sulfaphenazole glaucoma GAP_HIGH 0.1667 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in glaucoma cell model. Expected: similar to olsalazine (Jaccard=0.38) zafirlukast sclerosing_cholangitis GAP_HIGH 0.1667 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.38) methsuximide vascular_cancer GAP_HIGH 0.1667 0.3125 cyclopentolate High-priority: Binding assay methsuximide→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.31) candesartan muscle_cancer GAP_HIGH 0.1667 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in muscle_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) tolazamide celiac_disease GAP_HIGH 0.1667 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat penile_cancer GAP_HIGH 0.1667 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) thiamylal skin_cancer GAP_HIGH 0.1667 0.2 phenytoin High-priority: Binding assay thiamylal→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) sodium_tetradecyl_sulfate pharynx_cancer GAP_LOW 0.1667 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs pharynx_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against pharynx_cancer pathway. benazepril leprosy GAP_LOW 0.1667 0.1111111111111111 menadione Low-priority: Computational docking benazepril vs leprosy targets. Cross-check benazepril pharmacophore against leprosy pathway. calcium_acetate hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking calcium_acetate vs hypothyroidism targets. Cross-check calcium_acetate pharmacophore against hypothyroidism pathway. isradipine hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking isradipine vs hypothyroidism targets. Cross-check isradipine pharmacophore against hypothyroidism pathway. lercanidipine hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking lercanidipine vs hypothyroidism targets. Cross-check lercanidipine pharmacophore against hypothyroidism pathway. nimodipine hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking nimodipine vs hypothyroidism targets. Cross-check nimodipine pharmacophore against hypothyroidism pathway. nisoldipine hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking nisoldipine vs hypothyroidism targets. Cross-check nisoldipine pharmacophore against hypothyroidism pathway. papaverine hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking papaverine vs hypothyroidism targets. Cross-check papaverine pharmacophore against hypothyroidism pathway. tofisopam hypothyroidism GAP_LOW 0.1667 0.0 methimazole Low-priority: Computational docking tofisopam vs hypothyroidism targets. Cross-check tofisopam pharmacophore against hypothyroidism pathway. docetaxel ovarian_cancer GAP_HIGH 0.1666 0.5 lapatinib High-priority: Binding assay docetaxel→?; validate in ovarian_cancer cell model. Expected: similar to lapatinib (Jaccard=0.50) lenalidomide endogenous_depression GAP_HIGH 0.1666 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in endogenous_depression cell model. Expected: similar to menadione (Jaccard=0.43) terbutaline muscle_cancer GAP_HIGH 0.1666 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.42) isoetarine crohns_disease GAP_HIGH 0.1666 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in crohns_disease cell model. Expected: similar to carbidopa (Jaccard=0.38) nandrolone_phenpropionate peripheral_nervous_system_neoplasm GAP_HIGH 0.1666 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to prednicarbate (Jaccard=0.38) moexipril ocular_cancer GAP_HIGH 0.1666 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in ocular_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril rectum_cancer GAP_HIGH 0.1666 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in rectum_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) norelgestromin type_1_diabetes_mellitus GAP_HIGH 0.1666 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.33) tafluprost duodenum_cancer GAP_HIGH 0.1666 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) tafluprost gallbladder_cancer GAP_HIGH 0.1666 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) tafluprost melanoma GAP_HIGH 0.1666 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.30) benazepril systemic_scleroderma GAP_HIGH 0.1666 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in systemic_scleroderma cell model. Expected: similar to doxorubicin (Jaccard=0.27) candesartan ocular_cancer GAP_HIGH 0.1666 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in ocular_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) quinapril systemic_lupus_erythematosus GAP_HIGH 0.1666 0.25 salmeterol High-priority: Binding assay quinapril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to salmeterol (Jaccard=0.25) aminoglutethimide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1666 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.22) linaclotide ovarian_cancer GAP_HIGH 0.1666 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in ovarian_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) sodium_tetradecyl_sulfate ankylosing_spondylitis GAP_LOW 0.1666 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs ankylosing_spondylitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against ankylosing_spondylitis pathway. caffeine dilated_cardiomyopathy GAP_LOW 0.1666 0.125 ciprofloxacin Low-priority: Computational docking caffeine vs dilated_cardiomyopathy targets. Cross-check caffeine pharmacophore against dilated_cardiomyopathy pathway. loxapine hematologic_cancer GAP_HIGH 0.1665 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.58) diethylstilbestrol mediastinal_cancer GAP_HIGH 0.1665 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in mediastinal_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) clonidine restless_legs_syndrome GAP_HIGH 0.1665 0.5384615384615384 mefenamic_acid High-priority: Binding assay clonidine→?; validate in restless_legs_syndrome cell model. Expected: similar to mefenamic_acid (Jaccard=0.54) dimetindene vaginal_cancer GAP_HIGH 0.1665 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in vaginal_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) dimetindene vulva_cancer GAP_HIGH 0.1665 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in vulva_cancer cell model. Expected: similar to acepromazine (Jaccard=0.43) lenalidomide multiple_sclerosis GAP_HIGH 0.1665 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in multiple_sclerosis cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide osteoporosis GAP_HIGH 0.1665 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in osteoporosis cell model. Expected: similar to menadione (Jaccard=0.43) vidarabine ovarian_cancer GAP_HIGH 0.1665 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.41) disopyramide prostate_cancer GAP_HIGH 0.1665 0.3333333333333333 isopropamide High-priority: Binding assay disopyramide→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) moexipril liver_cancer GAP_HIGH 0.1665 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in liver_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) benazepril uterine_fibroid GAP_HIGH 0.1665 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in uterine_fibroid cell model. Expected: similar to doxorubicin (Jaccard=0.27) cilazapril meningioma GAP_HIGH 0.1665 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in meningioma cell model. Expected: similar to irinotecan (Jaccard=0.25) cytarabine esophageal_cancer GAP_HIGH 0.1665 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) vorinostat malignant_mesothelioma GAP_HIGH 0.1665 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.25) solifenacin thyroid_cancer GAP_HIGH 0.1665 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) sodium_lauryl_sulfate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1665 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid coronary_artery_disease GAP_LOW 0.1665 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs coronary_artery_disease targets. Cross-check alpha-linolenic_acid pharmacophore against coronary_artery_disease pathway. sodium_tetradecyl_sulfate thyroid_cancer GAP_LOW 0.1665 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs thyroid_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against thyroid_cancer pathway. nilvadipine leprosy GAP_LOW 0.1665 0.1111111111111111 phenmetrazine Low-priority: Computational docking nilvadipine vs leprosy targets. Cross-check nilvadipine pharmacophore against leprosy pathway. dinoprost_tromethamine leprosy GAP_LOW 0.1665 0.08333333333333333 pomalidomide Low-priority: Computational docking dinoprost_tromethamine vs leprosy targets. Cross-check dinoprost_tromethamine pharmacophore against leprosy pathway. diethylstilbestrol thymus_cancer GAP_HIGH 0.1664 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in thymus_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) antazoline uterine_fibroid GAP_HIGH 0.1664 0.45454545454545453 benzatropine High-priority: Binding assay antazoline→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.45) lenalidomide migraine GAP_HIGH 0.1664 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in migraine cell model. Expected: similar to menadione (Jaccard=0.43) doxylamine sarcoma GAP_HIGH 0.1664 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in sarcoma cell model. Expected: similar to isopropamide (Jaccard=0.40) flavin_adenine_dinucleotide pancreatic_cancer GAP_HIGH 0.1664 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in pancreatic_cancer cell model. Expected: similar to entecavir (Jaccard=0.33) quinestrol sclerosing_cholangitis GAP_HIGH 0.1664 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in sclerosing_cholangitis cell model. Expected: similar to prednisone (Jaccard=0.28) benazepril prostate_cancer GAP_HIGH 0.1664 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in prostate_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) quinapril skin_cancer GAP_HIGH 0.1664 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in skin_cancer cell model. Expected: similar to penbutolol (Jaccard=0.25) solifenacin celiac_disease GAP_HIGH 0.1664 0.15789473684210525 fentanyl High-priority: Binding assay solifenacin→?; validate in celiac_disease cell model. Expected: similar to fentanyl (Jaccard=0.16) sodium_tetradecyl_sulfate chronic_obstructive_pulmonary_disease GAP_LOW 0.1664 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs chronic_obstructive_pulmonary_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against chronic_obstructive_pulmonary_disease pathway. levorphanol germ_cell_cancer GAP_HIGH 0.1663 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in germ_cell_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) melphalan chronic_obstructive_pulmonary_disease GAP_HIGH 0.1663 0.4117647058823529 sotalol High-priority: Binding assay melphalan→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.41) zafirlukast ankylosing_spondylitis GAP_HIGH 0.1663 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.38) clofarabine duodenum_cancer GAP_HIGH 0.1663 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) clofarabine gallbladder_cancer GAP_HIGH 0.1663 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) clofarabine melanoma GAP_HIGH 0.1663 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.35) flavin_adenine_dinucleotide ulcerative_colitis GAP_HIGH 0.1663 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.33) moexipril urinary_bladder_cancer GAP_HIGH 0.1663 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in urinary_bladder_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) pralatrexate systemic_scleroderma GAP_HIGH 0.1663 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in systemic_scleroderma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) cinolazepam alcohol_dependence GAP_HIGH 0.1663 0.3125 fludiazepam High-priority: Binding assay cinolazepam→?; validate in alcohol_dependence cell model. Expected: similar to fludiazepam (Jaccard=0.31) tafluprost sclerosing_cholangitis GAP_HIGH 0.1663 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.30) clofibrate rectum_cancer GAP_HIGH 0.1663 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) doxapram refractive_error GAP_HIGH 0.1663 0.2857142857142857 metaraminol High-priority: Binding assay doxapram→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.29) flutamide restless_legs_syndrome GAP_HIGH 0.1663 0.25 bumetanide High-priority: Binding assay flutamide→?; validate in restless_legs_syndrome cell model. Expected: similar to bumetanide (Jaccard=0.25) quinapril osteoarthritis GAP_HIGH 0.1663 0.25 penbutolol High-priority: Binding assay quinapril→?; validate in osteoarthritis cell model. Expected: similar to penbutolol (Jaccard=0.25) quinapril vaginal_cancer GAP_HIGH 0.1663 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in vaginal_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) quinapril vulva_cancer GAP_HIGH 0.1663 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in vulva_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) triamterene pharynx_cancer GAP_HIGH 0.1663 0.25 vincristine High-priority: Binding assay triamterene→?; validate in pharynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) alprazolam leprosy GAP_HIGH 0.1663 0.23255813953488372 phensuximide High-priority: Binding assay alprazolam→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.23) aminoglutethimide primary_biliary_cirrhosis GAP_HIGH 0.1663 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.22) equilin amyotrophic_lateral_sclerosis GAP_HIGH 0.1663 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) dextropropoxyphene alcohol_dependence GAP_LOW 0.1663 0.125 ethylmorphine Low-priority: Computational docking dextropropoxyphene vs alcohol_dependence targets. Cross-check dextropropoxyphene pharmacophore against alcohol_dependence pathway. phenelzine salivary_gland_cancer GAP_HIGH 0.1662 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in salivary_gland_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) phenylpropanolamine muscle_cancer GAP_HIGH 0.1662 0.55 bethanidine High-priority: Binding assay phenylpropanolamine→?; validate in muscle_cancer cell model. Expected: similar to bethanidine (Jaccard=0.55) diethylstilbestrol hematologic_cancer GAP_HIGH 0.1662 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in hematologic_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) sotalol gout GAP_HIGH 0.1662 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.41) sotalol primary_biliary_cirrhosis GAP_HIGH 0.1662 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.41) ethynodiol pharynx_cancer GAP_HIGH 0.1662 0.4 prednicarbate High-priority: Binding assay ethynodiol→?; validate in pharynx_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.40) alprazolam azoospermia GAP_HIGH 0.1662 0.36 chlorpromazine High-priority: Binding assay alprazolam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.36) flavin_adenine_dinucleotide multiple_sclerosis GAP_HIGH 0.1662 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in multiple_sclerosis cell model. Expected: similar to entecavir (Jaccard=0.33) flavin_adenine_dinucleotide osteoporosis GAP_HIGH 0.1662 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in osteoporosis cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide ovarian_cancer GAP_HIGH 0.1662 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in ovarian_cancer cell model. Expected: similar to methotrexate (Jaccard=0.33) quinethazone meningioma GAP_HIGH 0.1662 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.31) l-carnitine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1662 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to alcaftadine (Jaccard=0.27) candesartan peripheral_nervous_system_neoplasm GAP_HIGH 0.1662 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lenalidomide (Jaccard=0.25) flutamide polycystic_ovary_syndrome GAP_HIGH 0.1662 0.25 glyburide High-priority: Binding assay flutamide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to glyburide (Jaccard=0.25) flutamide type_2_diabetes_mellitus GAP_HIGH 0.1662 0.25 bumetanide High-priority: Binding assay flutamide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to bumetanide (Jaccard=0.25) quinapril testicular_cancer GAP_HIGH 0.1662 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in testicular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) sodium_lauryl_sulfate gout GAP_HIGH 0.1662 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate primary_biliary_cirrhosis GAP_HIGH 0.1662 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclandelate (Jaccard=0.17) polythiazide bone_cancer GAP_LOW 0.1662 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs bone_cancer targets. Cross-check polythiazide pharmacophore against bone_cancer pathway. dextrothyroxine azoospermia GAP_LOW 0.1662 0.125 dienestrol Low-priority: Computational docking dextrothyroxine vs azoospermia targets. Cross-check dextrothyroxine pharmacophore against azoospermia pathway. dimetindene uterine_fibroid GAP_HIGH 0.1661 0.42857142857142855 acepromazine High-priority: Binding assay dimetindene→?; validate in uterine_fibroid cell model. Expected: similar to acepromazine (Jaccard=0.43) lenalidomide metabolic_syndrome_x GAP_HIGH 0.1661 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in metabolic_syndrome_x cell model. Expected: similar to menadione (Jaccard=0.43) terbutaline attention_deficit_hyperactivity_disorder GAP_HIGH 0.1661 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.42) diphenidol prostate_cancer GAP_HIGH 0.1661 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in prostate_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.38) benazepril vitiligo GAP_HIGH 0.1661 0.2727272727272727 doxorubicin High-priority: Binding assay benazepril→?; validate in vitiligo cell model. Expected: similar to doxorubicin (Jaccard=0.27) quinapril vascular_cancer GAP_HIGH 0.1661 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in vascular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) solifenacin pancreatitis GAP_HIGH 0.1661 0.17647058823529413 trimipramine High-priority: Binding assay solifenacin→?; validate in pancreatitis cell model. Expected: similar to trimipramine (Jaccard=0.18) linaclotide vaginal_cancer GAP_HIGH 0.1661 0.16666666666666666 vismodegib High-priority: Binding assay linaclotide→?; validate in vaginal_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) sodium_tetradecyl_sulfate salivary_gland_cancer GAP_LOW 0.1661 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs salivary_gland_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against salivary_gland_cancer pathway. tauroursodeoxycholic_acid chronic_kidney_failure GAP_LOW 0.1661 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs chronic_kidney_failure targets. Cross-check tauroursodeoxycholic_acid pharmacophore against chronic_kidney_failure pathway. phenelzine ocular_cancer GAP_HIGH 0.166 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in ocular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) fulvestrant alzheimers_disease GAP_HIGH 0.166 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.46) fulvestrant nicotine_dependence GAP_HIGH 0.166 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.46) lenalidomide osteoarthritis GAP_HIGH 0.166 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in osteoarthritis cell model. Expected: similar to menadione (Jaccard=0.43) sotalol coronary_artery_disease GAP_HIGH 0.166 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.41) sotalol narcolepsy GAP_HIGH 0.166 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.41) antipyrine gout GAP_HIGH 0.166 0.4 phenindione High-priority: Binding assay antipyrine→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.40) disopyramide hematologic_cancer GAP_HIGH 0.166 0.3333333333333333 isopropamide High-priority: Binding assay disopyramide→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) flavin_adenine_dinucleotide systemic_lupus_erythematosus GAP_HIGH 0.166 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to entecavir (Jaccard=0.33) l-arginine atopic_dermatitis GAP_HIGH 0.166 0.3 epinephrine High-priority: Binding assay l-arginine→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.30) clofibrate peripheral_nervous_system_neoplasm GAP_HIGH 0.166 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.29) flutamide rheumatoid_arthritis GAP_HIGH 0.166 0.25 glyburide High-priority: Binding assay flutamide→?; validate in rheumatoid_arthritis cell model. Expected: similar to glyburide (Jaccard=0.25) quazepam azoospermia GAP_HIGH 0.166 0.17391304347826086 chlorpromazine High-priority: Binding assay quazepam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.17) sodium_lauryl_sulfate narcolepsy GAP_HIGH 0.166 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in narcolepsy cell model. Expected: similar to cyclandelate (Jaccard=0.17) dextrothyroxine pancreatic_cancer GAP_LOW 0.166 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs pancreatic_cancer targets. Cross-check dextrothyroxine pharmacophore against pancreatic_cancer pathway. dextrothyroxine ulcerative_colitis GAP_LOW 0.166 0.14285714285714285 etonogestrel Low-priority: Computational docking dextrothyroxine vs ulcerative_colitis targets. Cross-check dextrothyroxine pharmacophore against ulcerative_colitis pathway. sodium_tetradecyl_sulfate muscle_cancer GAP_LOW 0.166 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs muscle_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against muscle_cancer pathway. clomipramine vascular_cancer GAP_HIGH 0.1659 0.75 chlorpromazine High-priority: Binding assay clomipramine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.75) levonordefrin mediastinal_cancer GAP_HIGH 0.1659 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) phenprocoumon atherosclerosis GAP_HIGH 0.1659 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.46) gliclazide vitiligo GAP_HIGH 0.1659 0.4117647058823529 zafirlukast High-priority: Binding assay gliclazide→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.41) doxylamine testicular_cancer GAP_HIGH 0.1659 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in testicular_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) isoetarine gout GAP_HIGH 0.1659 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in gout cell model. Expected: similar to carbidopa (Jaccard=0.38) isoetarine primary_biliary_cirrhosis GAP_HIGH 0.1659 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to carbidopa (Jaccard=0.38) quinethazone crohns_disease GAP_HIGH 0.1659 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.31) cilazapril prostate_cancer GAP_HIGH 0.1659 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in prostate_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) vorinostat meningioma GAP_HIGH 0.1659 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.25) benazepril type_1_diabetes_mellitus GAP_HIGH 0.1659 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.22) amoxapine azoospermia GAP_HIGH 0.1658 0.5 chlorpromazine High-priority: Binding assay amoxapine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.50) levonordefrin thymus_cancer GAP_HIGH 0.1658 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) probenecid crohns_disease GAP_HIGH 0.1658 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.45) tripelennamine chronic_kidney_failure GAP_HIGH 0.1658 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.43) doxylamine vascular_cancer GAP_HIGH 0.1658 0.4 isopropamide High-priority: Binding assay doxylamine→?; validate in vascular_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) nandrolone_phenpropionate sarcoma GAP_HIGH 0.1658 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in sarcoma cell model. Expected: similar to prednicarbate (Jaccard=0.38) zafirlukast pancreatitis GAP_HIGH 0.1658 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.38) isocarboxazid glaucoma GAP_HIGH 0.1658 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in glaucoma cell model. Expected: similar to l-tryptophan (Jaccard=0.33) moexipril breast_cancer GAP_HIGH 0.1658 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril colon_cancer GAP_HIGH 0.1658 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in colon_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril stomach_cancer GAP_HIGH 0.1658 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in stomach_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) carvedilol larynx_cancer GAP_HIGH 0.1658 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) estriol epilepsy_syndrome GAP_HIGH 0.1658 0.25 bifonazole High-priority: Binding assay estriol→?; validate in epilepsy_syndrome cell model. Expected: similar to bifonazole (Jaccard=0.25) quinapril uterine_fibroid GAP_HIGH 0.1658 0.25 metipranolol High-priority: Binding assay quinapril→?; validate in uterine_fibroid cell model. Expected: similar to metipranolol (Jaccard=0.25) loratadine malaria GAP_HIGH 0.1658 0.2222222222222222 caffeine High-priority: Binding assay loratadine→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.22) equilin schizophrenia GAP_HIGH 0.1658 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in schizophrenia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) dronedarone gestational_diabetes GAP_LOW 0.1658 0.07142857142857142 sulpiride Low-priority: Computational docking dronedarone vs gestational_diabetes targets. Cross-check dronedarone pharmacophore against gestational_diabetes pathway. desipramine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1657 0.5714285714285714 imipramine High-priority: Binding assay desipramine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to imipramine (Jaccard=0.57) phenelzine urinary_bladder_cancer GAP_HIGH 0.1657 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in urinary_bladder_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) lenalidomide obesity GAP_HIGH 0.1657 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in obesity cell model. Expected: similar to menadione (Jaccard=0.43) terbutaline colon_cancer GAP_HIGH 0.1657 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.42) isoetarine coronary_artery_disease GAP_HIGH 0.1657 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in coronary_artery_disease cell model. Expected: similar to carbidopa (Jaccard=0.38) flavin_adenine_dinucleotide osteoarthritis GAP_HIGH 0.1657 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in osteoarthritis cell model. Expected: similar to methotrexate (Jaccard=0.33) moexipril pancreatic_cancer GAP_HIGH 0.1657 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in pancreatic_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) pralatrexate rheumatoid_arthritis GAP_HIGH 0.1657 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in rheumatoid_arthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) l-arginine psoriasis GAP_HIGH 0.1657 0.3 epinephrine High-priority: Binding assay l-arginine→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.30) candesartan stomach_cancer GAP_HIGH 0.1657 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in stomach_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) cilazapril mediastinal_cancer GAP_HIGH 0.1657 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in mediastinal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) flutamide psoriatic_arthritis GAP_HIGH 0.1657 0.25 glyburide High-priority: Binding assay flutamide→?; validate in psoriatic_arthritis cell model. Expected: similar to glyburide (Jaccard=0.25) flutamide esophageal_cancer GAP_HIGH 0.1657 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in esophageal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) equilin hypertension GAP_HIGH 0.1657 0.18181818181818182 diphemanil_methylsulfate High-priority: Binding assay equilin→?; validate in hypertension cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) trimethoprim dilated_cardiomyopathy GAP_LOW 0.1657 0.14285714285714285 milrinone Low-priority: Computational docking trimethoprim vs dilated_cardiomyopathy targets. Cross-check trimethoprim pharmacophore against dilated_cardiomyopathy pathway. desogestrel barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking desogestrel vs barretts_esophagus targets. Cross-check desogestrel pharmacophore against barretts_esophagus pathway. dienestrol barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking dienestrol vs barretts_esophagus targets. Cross-check dienestrol pharmacophore against barretts_esophagus pathway. enalapril barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking enalapril vs barretts_esophagus targets. Cross-check enalapril pharmacophore against barretts_esophagus pathway. estazolam barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking estazolam vs barretts_esophagus targets. Cross-check estazolam pharmacophore against barretts_esophagus pathway. glucosamine barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking glucosamine vs barretts_esophagus targets. Cross-check glucosamine pharmacophore against barretts_esophagus pathway. levomilnacipran barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking levomilnacipran vs barretts_esophagus targets. Cross-check levomilnacipran pharmacophore against barretts_esophagus pathway. levonorgestrel barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking levonorgestrel vs barretts_esophagus targets. Cross-check levonorgestrel pharmacophore against barretts_esophagus pathway. medroxyprogesterone_acetate barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking medroxyprogesterone_acetate vs barretts_esophagus targets. Cross-check medroxyprogesterone_acetate pharmacophore against barretts_esophagus pathway. metaraminol barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking metaraminol vs barretts_esophagus targets. Cross-check metaraminol pharmacophore against barretts_esophagus pathway. milnacipran barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking milnacipran vs barretts_esophagus targets. Cross-check milnacipran pharmacophore against barretts_esophagus pathway. pimozide barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking pimozide vs barretts_esophagus targets. Cross-check pimozide pharmacophore against barretts_esophagus pathway. pirbuterol barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking pirbuterol vs barretts_esophagus targets. Cross-check pirbuterol pharmacophore against barretts_esophagus pathway. salbutamol barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking salbutamol vs barretts_esophagus targets. Cross-check salbutamol pharmacophore against barretts_esophagus pathway. trilostane barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking trilostane vs barretts_esophagus targets. Cross-check trilostane pharmacophore against barretts_esophagus pathway. zidovudine barretts_esophagus GAP_LOW 0.1657 0.0 pantoprazole Low-priority: Computational docking zidovudine vs barretts_esophagus targets. Cross-check zidovudine pharmacophore against barretts_esophagus pathway. phenelzine peripheral_nervous_system_neoplasm GAP_HIGH 0.1656 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to nateglinide (Jaccard=0.56) cortisone_acetate kidney_cancer GAP_HIGH 0.1656 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in kidney_cancer cell model. Expected: similar to medrysone (Jaccard=0.46) tripelennamine crohns_disease GAP_HIGH 0.1656 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in crohns_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) ethynodiol salivary_gland_cancer GAP_HIGH 0.1656 0.4 prednicarbate High-priority: Binding assay ethynodiol→?; validate in salivary_gland_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.40) moexipril ulcerative_colitis GAP_HIGH 0.1656 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in ulcerative_colitis cell model. Expected: similar to topotecan (Jaccard=0.33) amodiaquine mediastinal_cancer GAP_HIGH 0.1656 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) cilazapril primary_biliary_cirrhosis GAP_HIGH 0.1656 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to irinotecan (Jaccard=0.25) triamterene salivary_gland_cancer GAP_HIGH 0.1656 0.25 vincristine High-priority: Binding assay triamterene→?; validate in salivary_gland_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) clenbuterol esophageal_cancer GAP_HIGH 0.1656 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) dextrothyroxine systemic_lupus_erythematosus GAP_LOW 0.1656 0.14285714285714285 choline Low-priority: Computational docking dextrothyroxine vs systemic_lupus_erythematosus targets. Cross-check dextrothyroxine pharmacophore against systemic_lupus_erythematosus pathway. midazolam creutzfeldt-jakob_disease GAP_HIGH 0.1655 0.5 estazolam High-priority: Binding assay midazolam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.50) cortisone_acetate nephrolithiasis GAP_HIGH 0.1655 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in nephrolithiasis cell model. Expected: similar to medrysone (Jaccard=0.46) fulvestrant panic_disorder GAP_HIGH 0.1655 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.46) levorphanol malignant_mesothelioma GAP_HIGH 0.1655 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.46) tranylcypromine sclerosing_cholangitis GAP_HIGH 0.1655 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) terbutaline endogenous_depression GAP_HIGH 0.1655 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.42) isocarboxazid rheumatoid_arthritis GAP_HIGH 0.1655 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) zafirlukast lung_cancer GAP_HIGH 0.1655 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast rectum_cancer GAP_HIGH 0.1655 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) allylestrenol kidney_cancer GAP_HIGH 0.1655 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in kidney_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) moexipril sarcoma GAP_HIGH 0.1655 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in sarcoma cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril uterine_cancer GAP_HIGH 0.1655 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in uterine_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) quinethazone prostate_cancer GAP_HIGH 0.1655 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinestrol pancreatitis GAP_HIGH 0.1655 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in pancreatitis cell model. Expected: similar to prednisone (Jaccard=0.28) amodiaquine thymus_cancer GAP_HIGH 0.1655 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) candesartan uterine_cancer GAP_HIGH 0.1655 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in uterine_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) cilazapril thymus_cancer GAP_HIGH 0.1655 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in thymus_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) sodium_tetradecyl_sulfate peripheral_nervous_system_neoplasm GAP_LOW 0.1655 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs peripheral_nervous_system_neoplasm targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against peripheral_nervous_system_neoplasm pathway. sodium_tetradecyl_sulfate urinary_bladder_cancer GAP_LOW 0.1655 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs urinary_bladder_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against urinary_bladder_cancer pathway. loxapine coronary_artery_disease GAP_HIGH 0.1654 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in coronary_artery_disease cell model. Expected: similar to clomipramine (Jaccard=0.58) loxapine narcolepsy GAP_HIGH 0.1654 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in narcolepsy cell model. Expected: similar to clomipramine (Jaccard=0.58) diethylstilbestrol melanoma GAP_HIGH 0.1654 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in melanoma cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) afatinib prostate_cancer GAP_HIGH 0.1654 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in prostate_cancer cell model. Expected: similar to erlotinib (Jaccard=0.47) fulvestrant breast_cancer GAP_HIGH 0.1654 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in breast_cancer cell model. Expected: similar to levorphanol (Jaccard=0.46) fulvestrant conduct_disorder GAP_HIGH 0.1654 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.46) terbutaline multiple_sclerosis GAP_HIGH 0.1654 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.42) nandrolone_phenpropionate skin_cancer GAP_HIGH 0.1654 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in skin_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.38) zafirlukast liver_cancer GAP_HIGH 0.1654 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) allylestrenol nephrolithiasis GAP_HIGH 0.1654 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in nephrolithiasis cell model. Expected: similar to dydrogesterone (Jaccard=0.33) pralatrexate psoriatic_arthritis GAP_HIGH 0.1654 0.3333333333333333 tetrahydrofolic_acid High-priority: Binding assay pralatrexate→?; validate in psoriatic_arthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.33) tafluprost pancreatitis GAP_HIGH 0.1654 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.30) candesartan sarcoma GAP_HIGH 0.1654 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in sarcoma cell model. Expected: similar to lenalidomide (Jaccard=0.25) triamterene ocular_cancer GAP_HIGH 0.1654 0.25 vincristine High-priority: Binding assay triamterene→?; validate in ocular_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) l-ornithine panic_disorder GAP_HIGH 0.1654 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in panic_disorder cell model. Expected: similar to l-lysine (Jaccard=0.22) l-ornithine schizophrenia GAP_HIGH 0.1654 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in schizophrenia cell model. Expected: similar to l-lysine (Jaccard=0.22) linaclotide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1654 0.15384615384615385 zafirlukast High-priority: Binding assay linaclotide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.15) cortisone_acetate celiac_disease GAP_HIGH 0.1653 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in celiac_disease cell model. Expected: similar to medrysone (Jaccard=0.46) fulvestrant bipolar_disorder GAP_HIGH 0.1653 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.46) phenprocoumon malaria GAP_HIGH 0.1653 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.46) diphemanil_methylsulfate focal_segmental_glomerulosclerosis GAP_HIGH 0.1653 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to dimetacrine (Jaccard=0.44) isocarboxazid psoriatic_arthritis GAP_HIGH 0.1653 0.375 phentermine High-priority: Binding assay isocarboxazid→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) nandrolone_phenpropionate osteoarthritis GAP_HIGH 0.1653 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in osteoarthritis cell model. Expected: similar to prednicarbate (Jaccard=0.38) allylestrenol celiac_disease GAP_HIGH 0.1653 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in celiac_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.33) flavin_adenine_dinucleotide systemic_scleroderma GAP_HIGH 0.1653 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in systemic_scleroderma cell model. Expected: similar to entecavir (Jaccard=0.33) quinethazone gout GAP_HIGH 0.1653 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone mediastinal_cancer GAP_HIGH 0.1653 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone primary_biliary_cirrhosis GAP_HIGH 0.1653 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.31) prazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1653 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.26) nicardipine creutzfeldt-jakob_disease GAP_HIGH 0.1653 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) pentostatin esophageal_cancer GAP_HIGH 0.1653 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) lubiprostone germ_cell_cancer GAP_LOW 0.1653 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs germ_cell_cancer targets. Cross-check lubiprostone pharmacophore against germ_cell_cancer pathway. afatinib primary_biliary_cirrhosis GAP_HIGH 0.1652 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to erlotinib (Jaccard=0.47) fulvestrant endogenous_depression GAP_HIGH 0.1652 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.46) lenalidomide restless_legs_syndrome GAP_HIGH 0.1652 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in restless_legs_syndrome cell model. Expected: similar to menadione (Jaccard=0.43) sotalol duodenum_cancer GAP_HIGH 0.1652 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.41) sotalol gallbladder_cancer GAP_HIGH 0.1652 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.41) vidarabine polycystic_ovary_syndrome GAP_HIGH 0.1652 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.41) tamsulosin epilepsy_syndrome GAP_HIGH 0.1652 0.4 methocarbamol High-priority: Binding assay tamsulosin→?; validate in epilepsy_syndrome cell model. Expected: similar to methocarbamol (Jaccard=0.40) zafirlukast peripheral_nervous_system_neoplasm GAP_HIGH 0.1652 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.38) zidovudine acquired_immunodeficiency_syndrome GAP_HIGH 0.1652 0.3333333333333333 emtricitabine High-priority: Binding assay zidovudine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to emtricitabine (Jaccard=0.33) quinethazone thymus_cancer GAP_HIGH 0.1652 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) tafluprost muscle_cancer GAP_HIGH 0.1652 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) clofibrate ovarian_cancer GAP_HIGH 0.1652 0.2857142857142857 methylphenidate High-priority: Binding assay clofibrate→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) estriol alzheimers_disease GAP_HIGH 0.1652 0.25 bifonazole High-priority: Binding assay estriol→?; validate in alzheimers_disease cell model. Expected: similar to bifonazole (Jaccard=0.25) vorinostat idiopathic_pulmonary_fibrosis GAP_HIGH 0.1652 0.25 olopatadine High-priority: Binding assay vorinostat→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to olopatadine (Jaccard=0.25) vorinostat prostate_cancer GAP_HIGH 0.1652 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) aminoglutethimide duodenum_cancer GAP_HIGH 0.1652 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) aminoglutethimide gallbladder_cancer GAP_HIGH 0.1652 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) sodium_lauryl_sulfate duodenum_cancer GAP_HIGH 0.1652 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in duodenum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate gallbladder_cancer GAP_HIGH 0.1652 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in gallbladder_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate melanoma GAP_HIGH 0.1652 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in melanoma cell model. Expected: similar to cyclandelate (Jaccard=0.17) phenylpropanolamine pancreatic_cancer GAP_HIGH 0.1651 0.55 bethanidine High-priority: Binding assay phenylpropanolamine→?; validate in pancreatic_cancer cell model. Expected: similar to bethanidine (Jaccard=0.55) moricizine azoospermia GAP_HIGH 0.1651 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in azoospermia cell model. Expected: similar to thioproperazine (Jaccard=0.50) probenecid gout GAP_HIGH 0.1651 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in gout cell model. Expected: similar to sulfanilamide (Jaccard=0.45) lenalidomide type_2_diabetes_mellitus GAP_HIGH 0.1651 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to menadione (Jaccard=0.43) lenalidomide vitiligo GAP_HIGH 0.1651 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in vitiligo cell model. Expected: similar to menadione (Jaccard=0.43) vidarabine vitiligo GAP_HIGH 0.1651 0.4090909090909091 lamivudine High-priority: Binding assay vidarabine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.41) clofarabine pancreatitis GAP_HIGH 0.1651 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.35) moexipril skin_cancer GAP_HIGH 0.1651 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in skin_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost lung_cancer GAP_HIGH 0.1651 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) tafluprost rectum_cancer GAP_HIGH 0.1651 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) estriol autistic_disorder GAP_HIGH 0.1651 0.25 bifonazole High-priority: Binding assay estriol→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) quinapril esophageal_cancer GAP_HIGH 0.1651 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) sodium_tetradecyl_sulfate asthma GAP_LOW 0.1651 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs asthma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against asthma pathway. sodium_tetradecyl_sulfate breast_cancer GAP_LOW 0.1651 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs breast_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against breast_cancer pathway. methacholine larynx_cancer GAP_LOW 0.1651 0.125 epirubicin Low-priority: Computational docking methacholine vs larynx_cancer targets. Cross-check methacholine pharmacophore against larynx_cancer pathway. diethylstilbestrol creutzfeldt-jakob_disease GAP_HIGH 0.165 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) tranylcypromine ankylosing_spondylitis GAP_HIGH 0.165 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) melphalan atopic_dermatitis GAP_HIGH 0.165 0.4117647058823529 sotalol High-priority: Binding assay melphalan→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.41) melphalan breast_cancer GAP_HIGH 0.165 0.4117647058823529 sotalol High-priority: Binding assay melphalan→?; validate in breast_cancer cell model. Expected: similar to sotalol (Jaccard=0.41) moexipril vaginal_cancer GAP_HIGH 0.165 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in vaginal_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) moexipril vulva_cancer GAP_HIGH 0.165 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in vulva_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) norelgestromin nephrolithiasis GAP_HIGH 0.165 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in nephrolithiasis cell model. Expected: similar to betamethasone (Jaccard=0.33) quinethazone hematologic_cancer GAP_HIGH 0.165 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in hematologic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) candesartan skin_cancer GAP_HIGH 0.165 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in skin_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) vorinostat mediastinal_cancer GAP_HIGH 0.165 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) vorinostat primary_biliary_cirrhosis GAP_HIGH 0.165 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.25) l-ornithine migraine GAP_HIGH 0.165 0.2222222222222222 pregabalin High-priority: Binding assay l-ornithine→?; validate in migraine cell model. Expected: similar to pregabalin (Jaccard=0.22) aminoglutethimide chronic_kidney_failure GAP_HIGH 0.165 0.2 chlorthalidone High-priority: Binding assay aminoglutethimide→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.20) sodium_tetradecyl_sulfate allergic_rhinitis GAP_LOW 0.165 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs allergic_rhinitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against allergic_rhinitis pathway. sodium_tetradecyl_sulfate atopic_dermatitis GAP_LOW 0.165 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs atopic_dermatitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against atopic_dermatitis pathway. sodium_tetradecyl_sulfate colon_cancer GAP_LOW 0.165 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs colon_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against colon_cancer pathway. estradiol barretts_esophagus GAP_LOW 0.165 0.07692307692307693 pantoprazole Low-priority: Computational docking estradiol vs barretts_esophagus targets. Cross-check estradiol pharmacophore against barretts_esophagus pathway. ethinyl_estradiol breast_cancer GAP_HIGH 0.1649 0.5789473684210527 mestranol High-priority: Binding assay ethinyl_estradiol→?; validate in breast_cancer cell model. Expected: similar to mestranol (Jaccard=0.58) phenelzine uterine_cancer GAP_HIGH 0.1649 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in uterine_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) lenalidomide rheumatoid_arthritis GAP_HIGH 0.1649 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in rheumatoid_arthritis cell model. Expected: similar to menadione (Jaccard=0.43) terbutaline osteoarthritis GAP_HIGH 0.1649 0.4166666666666667 levonordefrin High-priority: Binding assay terbutaline→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.42) etonogestrel muscle_cancer GAP_HIGH 0.1649 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in muscle_cancer cell model. Expected: similar to norethindrone (Jaccard=0.40) isoetarine melanoma GAP_HIGH 0.1649 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in melanoma cell model. Expected: similar to carbidopa (Jaccard=0.38) benzocaine crohns_disease GAP_HIGH 0.1649 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in crohns_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) flavin_adenine_dinucleotide polycystic_ovary_syndrome GAP_HIGH 0.1649 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to methotrexate (Jaccard=0.33) flavin_adenine_dinucleotide type_2_diabetes_mellitus GAP_HIGH 0.1649 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methotrexate (Jaccard=0.33) moexipril testicular_cancer GAP_HIGH 0.1649 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in testicular_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost liver_cancer GAP_HIGH 0.1649 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) candesartan vulva_cancer GAP_HIGH 0.1649 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in vulva_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) estriol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1649 0.25 bifonazole High-priority: Binding assay estriol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) vorinostat thymus_cancer GAP_HIGH 0.1649 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) phenobarbital hematologic_cancer GAP_HIGH 0.1649 0.2413793103448276 flurbiprofen High-priority: Binding assay phenobarbital→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.24) glutethimide type_1_diabetes_mellitus GAP_HIGH 0.1649 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.23) clenbuterol type_1_diabetes_mellitus GAP_HIGH 0.1649 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to olsalazine (Jaccard=0.21) sodium_tetradecyl_sulfate pancreatic_cancer GAP_LOW 0.1649 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs pancreatic_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against pancreatic_cancer pathway. estropipate leprosy GAP_LOW 0.1649 0.1111111111111111 menadione Low-priority: Computational docking estropipate vs leprosy targets. Cross-check estropipate pharmacophore against leprosy pathway. labetalol gestational_diabetes GAP_LOW 0.1649 0.1111111111111111 glimepiride Low-priority: Computational docking labetalol vs gestational_diabetes targets. Cross-check labetalol pharmacophore against gestational_diabetes pathway. alpha-linolenic_acid dilated_cardiomyopathy GAP_LOW 0.1649 0.058823529411764705 trandolapril Low-priority: Computational docking alpha-linolenic_acid vs dilated_cardiomyopathy targets. Cross-check alpha-linolenic_acid pharmacophore against dilated_cardiomyopathy pathway. phenelzine sarcoma GAP_HIGH 0.1648 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in sarcoma cell model. Expected: similar to nateglinide (Jaccard=0.56) sotalol creutzfeldt-jakob_disease GAP_HIGH 0.1648 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.41) sotalol sclerosing_cholangitis GAP_HIGH 0.1648 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.41) etonogestrel ocular_cancer GAP_HIGH 0.1648 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in ocular_cancer cell model. Expected: similar to norethindrone (Jaccard=0.40) zafirlukast asthma GAP_HIGH 0.1648 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast panic_disorder GAP_HIGH 0.1648 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast schizophrenia GAP_HIGH 0.1648 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.38) flavin_adenine_dinucleotide vitiligo GAP_HIGH 0.1648 0.3333333333333333 methotrexate High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in vitiligo cell model. Expected: similar to methotrexate (Jaccard=0.33) moexipril vascular_cancer GAP_HIGH 0.1648 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in vascular_cancer cell model. Expected: similar to topotecan (Jaccard=0.33) norelgestromin celiac_disease GAP_HIGH 0.1648 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in celiac_disease cell model. Expected: similar to betamethasone (Jaccard=0.33) trilostane dilated_cardiomyopathy GAP_HIGH 0.1648 0.29411764705882354 testosterone_propionate High-priority: Binding assay trilostane→?; validate in dilated_cardiomyopathy cell model. Expected: similar to testosterone_propionate (Jaccard=0.29) candesartan vascular_cancer GAP_HIGH 0.1648 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in vascular_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.25) sodium_lauryl_sulfate sclerosing_cholangitis GAP_HIGH 0.1648 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_tetradecyl_sulfate osteoporosis GAP_LOW 0.1648 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs osteoporosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against osteoporosis pathway. sodium_tetradecyl_sulfate psoriasis GAP_LOW 0.1648 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs psoriasis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against psoriasis pathway. sodium_tetradecyl_sulfate ulcerative_colitis GAP_LOW 0.1648 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs ulcerative_colitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against ulcerative_colitis pathway. sodium_tetradecyl_sulfate uterine_cancer GAP_LOW 0.1648 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs uterine_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against uterine_cancer pathway. fluticasone_propionate barretts_esophagus GAP_LOW 0.1648 0.1111111111111111 pantoprazole Low-priority: Computational docking fluticasone_propionate vs barretts_esophagus targets. Cross-check fluticasone_propionate pharmacophore against barretts_esophagus pathway. zuclopenthixol azoospermia GAP_HIGH 0.1647 0.6 perphenazine High-priority: Binding assay zuclopenthixol→?; validate in azoospermia cell model. Expected: similar to perphenazine (Jaccard=0.60) megestrol_acetate penile_cancer GAP_HIGH 0.1647 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in penile_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.50) methyltestosterone hypertension GAP_HIGH 0.1647 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in hypertension cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) fulvestrant metabolic_syndrome_x GAP_HIGH 0.1647 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in metabolic_syndrome_x cell model. Expected: similar to levorphanol (Jaccard=0.46) tripelennamine narcolepsy GAP_HIGH 0.1647 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in narcolepsy cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) zafirlukast allergic_rhinitis GAP_HIGH 0.1647 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast colon_cancer GAP_HIGH 0.1647 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast hypertension GAP_HIGH 0.1647 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast stomach_cancer GAP_HIGH 0.1647 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) isocarboxazid kidney_cancer GAP_HIGH 0.1647 0.3333333333333333 acetaminophen High-priority: Binding assay isocarboxazid→?; validate in kidney_cancer cell model. Expected: similar to acetaminophen (Jaccard=0.33) tafluprost urinary_bladder_cancer GAP_HIGH 0.1647 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) ibuprofen esophageal_cancer GAP_HIGH 0.1647 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in esophageal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) losartan acquired_immunodeficiency_syndrome GAP_HIGH 0.1647 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.18) irbesartan lymphatic_system_cancer GAP_HIGH 0.1647 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in lymphatic_system_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) lubiprostone penile_cancer GAP_LOW 0.1647 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs penile_cancer targets. Cross-check lubiprostone pharmacophore against penile_cancer pathway. sodium_tetradecyl_sulfate multiple_sclerosis GAP_LOW 0.1647 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs multiple_sclerosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against multiple_sclerosis pathway. sodium_tetradecyl_sulfate ovarian_cancer GAP_LOW 0.1647 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs ovarian_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against ovarian_cancer pathway. sodium_tetradecyl_sulfate sarcoma GAP_LOW 0.1647 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs sarcoma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against sarcoma pathway. tauroursodeoxycholic_acid membranous_glomerulonephritis GAP_LOW 0.1647 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs membranous_glomerulonephritis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against membranous_glomerulonephritis pathway. hydrocortisone prostate_cancer GAP_HIGH 0.1646 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in prostate_cancer cell model. Expected: similar to testolactone (Jaccard=0.64) ethinyl_estradiol osteoporosis GAP_HIGH 0.1646 0.5789473684210527 mestranol High-priority: Binding assay ethinyl_estradiol→?; validate in osteoporosis cell model. Expected: similar to mestranol (Jaccard=0.58) lenalidomide psoriatic_arthritis GAP_HIGH 0.1646 0.42857142857142855 menadione High-priority: Binding assay lenalidomide→?; validate in psoriatic_arthritis cell model. Expected: similar to menadione (Jaccard=0.43) benzocaine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1646 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) flavin_adenine_dinucleotide rheumatoid_arthritis GAP_HIGH 0.1646 0.3333333333333333 entecavir High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in rheumatoid_arthritis cell model. Expected: similar to entecavir (Jaccard=0.33) isocarboxazid refractive_error GAP_HIGH 0.1646 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in refractive_error cell model. Expected: similar to l-tryptophan (Jaccard=0.33) doxapram membranous_glomerulonephritis GAP_HIGH 0.1646 0.2857142857142857 propiomazine High-priority: Binding assay doxapram→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.29) cilazapril melanoma GAP_HIGH 0.1646 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in melanoma cell model. Expected: similar to irinotecan (Jaccard=0.25) estriol conduct_disorder GAP_HIGH 0.1646 0.25 bifonazole High-priority: Binding assay estriol→?; validate in conduct_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) estriol panic_disorder GAP_HIGH 0.1646 0.25 bifonazole High-priority: Binding assay estriol→?; validate in panic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) estriol schizophrenia GAP_HIGH 0.1646 0.25 bifonazole High-priority: Binding assay estriol→?; validate in schizophrenia cell model. Expected: similar to bifonazole (Jaccard=0.25) caffeine creutzfeldt-jakob_disease GAP_HIGH 0.1646 0.2222222222222222 cyproheptadine High-priority: Binding assay caffeine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.22) l-ornithine metabolic_syndrome_x GAP_HIGH 0.1646 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in metabolic_syndrome_x cell model. Expected: similar to l-lysine (Jaccard=0.22) pasireotide gestational_diabetes GAP_LOW 0.1646 0.13333333333333333 zafirlukast Low-priority: Computational docking pasireotide vs gestational_diabetes targets. Cross-check pasireotide pharmacophore against gestational_diabetes pathway. doxycycline gestational_diabetes GAP_LOW 0.1646 0.06666666666666667 tolbutamide Low-priority: Computational docking doxycycline vs gestational_diabetes targets. Cross-check doxycycline pharmacophore against gestational_diabetes pathway. allylestrenol barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking allylestrenol vs barretts_esophagus targets. Cross-check allylestrenol pharmacophore against barretts_esophagus pathway. clofarabine barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking clofarabine vs barretts_esophagus targets. Cross-check clofarabine pharmacophore against barretts_esophagus pathway. doxylamine barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking doxylamine vs barretts_esophagus targets. Cross-check doxylamine pharmacophore against barretts_esophagus pathway. methyltestosterone barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking methyltestosterone vs barretts_esophagus targets. Cross-check methyltestosterone pharmacophore against barretts_esophagus pathway. probenecid barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking probenecid vs barretts_esophagus targets. Cross-check probenecid pharmacophore against barretts_esophagus pathway. ribavirin barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking ribavirin vs barretts_esophagus targets. Cross-check ribavirin pharmacophore against barretts_esophagus pathway. ritodrine barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking ritodrine vs barretts_esophagus targets. Cross-check ritodrine pharmacophore against barretts_esophagus pathway. selegiline barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking selegiline vs barretts_esophagus targets. Cross-check selegiline pharmacophore against barretts_esophagus pathway. sulfamethizole barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking sulfamethizole vs barretts_esophagus targets. Cross-check sulfamethizole pharmacophore against barretts_esophagus pathway. testosterone barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking testosterone vs barretts_esophagus targets. Cross-check testosterone pharmacophore against barretts_esophagus pathway. tolazoline barretts_esophagus GAP_LOW 0.1646 0.0 pantoprazole Low-priority: Computational docking tolazoline vs barretts_esophagus targets. Cross-check tolazoline pharmacophore against barretts_esophagus pathway. mesalazine hypertension GAP_HIGH 0.1645 0.6666666666666666 isoprenaline High-priority: Binding assay mesalazine→?; validate in hypertension cell model. Expected: similar to isoprenaline (Jaccard=0.67) zuclopenthixol membranous_glomerulonephritis GAP_HIGH 0.1645 0.6 perphenazine High-priority: Binding assay zuclopenthixol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to perphenazine (Jaccard=0.60) loxapine pancreatitis GAP_HIGH 0.1645 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in pancreatitis cell model. Expected: similar to azelastine (Jaccard=0.58) diethylstilbestrol thyroid_cancer GAP_HIGH 0.1645 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in thyroid_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) diethylstilbestrol esophageal_cancer GAP_HIGH 0.1645 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) suprofen esophageal_cancer GAP_HIGH 0.1645 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.47) isoetarine sclerosing_cholangitis GAP_HIGH 0.1645 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in sclerosing_cholangitis cell model. Expected: similar to carbidopa (Jaccard=0.38) zafirlukast ulcerative_colitis GAP_HIGH 0.1645 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.38) l-methionine systemic_lupus_erythematosus GAP_HIGH 0.1645 0.37209302325581395 penicillamine High-priority: Binding assay l-methionine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.37) antipyrine focal_segmental_glomerulosclerosis GAP_HIGH 0.1645 0.35714285714285715 chlorpromazine High-priority: Binding assay antipyrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorpromazine (Jaccard=0.36) fenbufen kidney_cancer GAP_HIGH 0.1645 0.35 quinacrine High-priority: Binding assay fenbufen→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.35) moexipril uterine_fibroid GAP_HIGH 0.1645 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in uterine_fibroid cell model. Expected: similar to topotecan (Jaccard=0.33) abacavir osteoporosis GAP_HIGH 0.1645 0.3 vidarabine High-priority: Binding assay abacavir→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.30) amodiaquine melanoma GAP_HIGH 0.1645 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.27) l-carnitine creutzfeldt-jakob_disease GAP_HIGH 0.1645 0.2727272727272727 cyproheptadine High-priority: Binding assay l-carnitine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.27) candesartan uterine_fibroid GAP_HIGH 0.1645 0.25 lenalidomide High-priority: Binding assay candesartan→?; validate in uterine_fibroid cell model. Expected: similar to lenalidomide (Jaccard=0.25) cilazapril duodenum_cancer GAP_HIGH 0.1645 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril gallbladder_cancer GAP_HIGH 0.1645 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) primidone penile_cancer GAP_HIGH 0.1645 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in penile_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) sodium_tetradecyl_sulfate systemic_lupus_erythematosus GAP_LOW 0.1645 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs systemic_lupus_erythematosus targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against systemic_lupus_erythematosus pathway. hydrocortisone gout GAP_HIGH 0.1644 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in gout cell model. Expected: similar to testolactone (Jaccard=0.64) diethylstilbestrol epilepsy_syndrome GAP_HIGH 0.1644 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in epilepsy_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) methyltestosterone migraine GAP_HIGH 0.1644 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in migraine cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) fluticasone_propionate dilated_cardiomyopathy GAP_HIGH 0.1644 0.42857142857142855 rimexolone High-priority: Binding assay fluticasone_propionate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to rimexolone (Jaccard=0.43) anileridine narcolepsy GAP_HIGH 0.1644 0.4166666666666667 milnacipran High-priority: Binding assay anileridine→?; validate in narcolepsy cell model. Expected: similar to milnacipran (Jaccard=0.42) sotalol ankylosing_spondylitis GAP_HIGH 0.1644 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.41) etonogestrel peripheral_nervous_system_neoplasm GAP_HIGH 0.1644 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to norethindrone (Jaccard=0.40) nandrolone_phenpropionate vitiligo GAP_HIGH 0.1644 0.375 prednicarbate High-priority: Binding assay nandrolone_phenpropionate→?; validate in vitiligo cell model. Expected: similar to prednicarbate (Jaccard=0.38) zafirlukast migraine GAP_HIGH 0.1644 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast osteoporosis GAP_HIGH 0.1644 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in osteoporosis cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast ovarian_cancer GAP_HIGH 0.1644 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.38) zafirlukast sarcoma GAP_HIGH 0.1644 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.38) estriol bipolar_disorder GAP_HIGH 0.1644 0.25 bifonazole High-priority: Binding assay estriol→?; validate in bipolar_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) heptabarbital sclerosing_cholangitis GAP_HIGH 0.1644 0.21739130434782608 chlordiazepoxide High-priority: Binding assay heptabarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) tioguanine bone_cancer GAP_HIGH 0.1644 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) irbesartan alcohol_dependence GAP_LOW 0.1644 0.125 naloxone Low-priority: Computational docking irbesartan vs alcohol_dependence targets. Cross-check irbesartan pharmacophore against alcohol_dependence pathway. chlorprothixene azoospermia GAP_HIGH 0.1643 0.6 chlorpromazine High-priority: Binding assay chlorprothixene→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.60) loxapine muscle_cancer GAP_HIGH 0.1643 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.58) phenelzine testicular_cancer GAP_HIGH 0.1643 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in testicular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) phenelzine vaginal_cancer GAP_HIGH 0.1643 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in vaginal_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) phenelzine vulva_cancer GAP_HIGH 0.1643 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in vulva_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) masoprocol panic_disorder GAP_HIGH 0.1643 0.5333333333333333 arbutamine High-priority: Binding assay masoprocol→?; validate in panic_disorder cell model. Expected: similar to arbutamine (Jaccard=0.53) masoprocol schizophrenia GAP_HIGH 0.1643 0.5333333333333333 arbutamine High-priority: Binding assay masoprocol→?; validate in schizophrenia cell model. Expected: similar to arbutamine (Jaccard=0.53) fulvestrant obesity GAP_HIGH 0.1643 0.46153846153846156 levorphanol High-priority: Binding assay fulvestrant→?; validate in obesity cell model. Expected: similar to levorphanol (Jaccard=0.46) phenindamine azoospermia GAP_HIGH 0.1643 0.4 indecainide High-priority: Binding assay phenindamine→?; validate in azoospermia cell model. Expected: similar to indecainide (Jaccard=0.40) phenmetrazine prostate_cancer GAP_HIGH 0.1643 0.35714285714285715 chloroprocaine High-priority: Binding assay phenmetrazine→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.36) benzocaine primary_biliary_cirrhosis GAP_HIGH 0.1643 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) estriol endogenous_depression GAP_HIGH 0.1643 0.25 bifonazole High-priority: Binding assay estriol→?; validate in endogenous_depression cell model. Expected: similar to bifonazole (Jaccard=0.25) triamterene uterine_cancer GAP_HIGH 0.1643 0.25 vincristine High-priority: Binding assay triamterene→?; validate in uterine_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) clenbuterol brain_cancer GAP_HIGH 0.1643 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) clenbuterol intracranial_aneurysm GAP_HIGH 0.1643 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.21) primidone malignant_mesothelioma GAP_HIGH 0.1643 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in malignant_mesothelioma cell model. Expected: similar to pantoprazole (Jaccard=0.20) sodium_lauryl_sulfate ankylosing_spondylitis GAP_HIGH 0.1643 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) carprofen gestational_diabetes GAP_HIGH 0.1643 0.15384615384615385 gliquidone High-priority: Binding assay carprofen→?; validate in gestational_diabetes cell model. Expected: similar to gliquidone (Jaccard=0.15) sodium_tetradecyl_sulfate osteoarthritis GAP_LOW 0.1643 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs osteoarthritis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against osteoarthritis pathway. sodium_tetradecyl_sulfate skin_cancer GAP_LOW 0.1643 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs skin_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against skin_cancer pathway. doxycycline leprosy GAP_LOW 0.1643 0.034482758620689655 sulfapyridine Low-priority: Computational docking doxycycline vs leprosy targets. Cross-check doxycycline pharmacophore against leprosy pathway. amphetamine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking amphetamine vs hypothyroidism targets. Cross-check amphetamine pharmacophore against hypothyroidism pathway. clofibrate hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking clofibrate vs hypothyroidism targets. Cross-check clofibrate pharmacophore against hypothyroidism pathway. l-arginine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-arginine vs hypothyroidism targets. Cross-check l-arginine pharmacophore against hypothyroidism pathway. l-asparagine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-asparagine vs hypothyroidism targets. Cross-check l-asparagine pharmacophore against hypothyroidism pathway. l-aspartic_acid hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-aspartic_acid vs hypothyroidism targets. Cross-check l-aspartic_acid pharmacophore against hypothyroidism pathway. l-carnitine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-carnitine vs hypothyroidism targets. Cross-check l-carnitine pharmacophore against hypothyroidism pathway. l-citrulline hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-citrulline vs hypothyroidism targets. Cross-check l-citrulline pharmacophore against hypothyroidism pathway. l-cysteine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-cysteine vs hypothyroidism targets. Cross-check l-cysteine pharmacophore against hypothyroidism pathway. l-methionine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-methionine vs hypothyroidism targets. Cross-check l-methionine pharmacophore against hypothyroidism pathway. l-ornithine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking l-ornithine vs hypothyroidism targets. Cross-check l-ornithine pharmacophore against hypothyroidism pathway. linaclotide hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking linaclotide vs hypothyroidism targets. Cross-check linaclotide pharmacophore against hypothyroidism pathway. pyrimethamine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking pyrimethamine vs hypothyroidism targets. Cross-check pyrimethamine pharmacophore against hypothyroidism pathway. quinacrine hypothyroidism GAP_LOW 0.1643 0.0 methimazole Low-priority: Computational docking quinacrine vs hypothyroidism targets. Cross-check quinacrine pharmacophore against hypothyroidism pathway. phenelzine vascular_cancer GAP_HIGH 0.1642 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in vascular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.56) phenylpropanolamine obesity GAP_HIGH 0.1642 0.55 bethanidine High-priority: Binding assay phenylpropanolamine→?; validate in obesity cell model. Expected: similar to bethanidine (Jaccard=0.55) diphenidol pharynx_cancer GAP_HIGH 0.1642 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.38) benzocaine gout GAP_HIGH 0.1642 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.33) quinethazone duodenum_cancer GAP_HIGH 0.1642 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone gallbladder_cancer GAP_HIGH 0.1642 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone melanoma GAP_HIGH 0.1642 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.31) tafluprost stomach_cancer GAP_HIGH 0.1642 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) benazepril thyroid_cancer GAP_HIGH 0.1642 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in thyroid_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) cilazapril sclerosing_cholangitis GAP_HIGH 0.1642 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in sclerosing_cholangitis cell model. Expected: similar to irinotecan (Jaccard=0.25) cytarabine nephrolithiasis GAP_HIGH 0.1642 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in nephrolithiasis cell model. Expected: similar to gemcitabine (Jaccard=0.25) nilvadipine creutzfeldt-jakob_disease GAP_HIGH 0.1642 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) l-ornithine obesity GAP_HIGH 0.1642 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in obesity cell model. Expected: similar to l-lysine (Jaccard=0.22) primidone multiple_sclerosis GAP_HIGH 0.1642 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in multiple_sclerosis cell model. Expected: similar to phenmetrazine (Jaccard=0.22) sodium_lauryl_sulfate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1642 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_tetradecyl_sulfate vaginal_cancer GAP_LOW 0.1642 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs vaginal_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against vaginal_cancer pathway. sodium_tetradecyl_sulfate vulva_cancer GAP_LOW 0.1642 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs vulva_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against vulva_cancer pathway. diethylstilbestrol focal_segmental_glomerulosclerosis GAP_HIGH 0.1641 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to toremifene (Jaccard=0.50) fluticasone_propionate type_1_diabetes_mellitus GAP_HIGH 0.1641 0.5 betamethasone High-priority: Binding assay fluticasone_propionate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.50) methyltestosterone metabolic_syndrome_x GAP_HIGH 0.1641 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in metabolic_syndrome_x cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) ospemifene metabolic_syndrome_x GAP_HIGH 0.1641 0.42857142857142855 candesartan High-priority: Binding assay ospemifene→?; validate in metabolic_syndrome_x cell model. Expected: similar to candesartan (Jaccard=0.43) sotalol epilepsy_syndrome GAP_HIGH 0.1641 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in epilepsy_syndrome cell model. Expected: similar to suprofen (Jaccard=0.41) flurandrenolide esophageal_cancer GAP_HIGH 0.1641 0.375 amcinonide High-priority: Binding assay flurandrenolide→?; validate in esophageal_cancer cell model. Expected: similar to amcinonide (Jaccard=0.38) isoetarine ankylosing_spondylitis GAP_HIGH 0.1641 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in ankylosing_spondylitis cell model. Expected: similar to carbidopa (Jaccard=0.38) moexipril vitiligo GAP_HIGH 0.1641 0.3333333333333333 topotecan High-priority: Binding assay moexipril→?; validate in vitiligo cell model. Expected: similar to topotecan (Jaccard=0.33) tafluprost pancreatic_cancer GAP_HIGH 0.1641 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) amobarbital sclerosing_cholangitis GAP_HIGH 0.1641 0.20833333333333334 chlordiazepoxide High-priority: Binding assay amobarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.21) solifenacin penile_cancer GAP_HIGH 0.1641 0.15789473684210525 fentanyl High-priority: Binding assay solifenacin→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) aminoglutethimide acquired_immunodeficiency_syndrome GAP_LOW 0.1641 0.14285714285714285 mitiglinide Low-priority: Computational docking aminoglutethimide vs acquired_immunodeficiency_syndrome targets. Cross-check aminoglutethimide pharmacophore against acquired_immunodeficiency_syndrome pathway. sodium_tetradecyl_sulfate testicular_cancer GAP_LOW 0.1641 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs testicular_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against testicular_cancer pathway. tofisopam leprosy GAP_LOW 0.1641 0.125 phenmetrazine Low-priority: Computational docking tofisopam vs leprosy targets. Cross-check tofisopam pharmacophore against leprosy pathway. diethylstilbestrol muscle_cancer GAP_HIGH 0.164 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in muscle_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) bepridil gilles_de_la_tourette_syndrome GAP_HIGH 0.164 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.50) levorphanol mediastinal_cancer GAP_HIGH 0.164 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) clofarabine breast_cancer GAP_HIGH 0.164 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) melphalan atherosclerosis GAP_HIGH 0.164 0.35 naproxen High-priority: Binding assay melphalan→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.35) benzocaine narcolepsy GAP_HIGH 0.164 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in narcolepsy cell model. Expected: similar to cyclandelate (Jaccard=0.33) stanozolol malignant_mesothelioma GAP_HIGH 0.164 0.3333333333333333 prednisone High-priority: Binding assay stanozolol→?; validate in malignant_mesothelioma cell model. Expected: similar to prednisone (Jaccard=0.33) abacavir osteoarthritis GAP_HIGH 0.164 0.3 vidarabine High-priority: Binding assay abacavir→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.30) tafluprost ulcerative_colitis GAP_HIGH 0.164 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.30) halazepam gout GAP_HIGH 0.164 0.2727272727272727 diazepam High-priority: Binding assay halazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.27) nicardipine alzheimers_disease GAP_HIGH 0.164 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine parkinsons_disease GAP_HIGH 0.164 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) sodium_tetradecyl_sulfate vascular_cancer GAP_LOW 0.164 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs vascular_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against vascular_cancer pathway. phenelzine uterine_fibroid GAP_HIGH 0.1639 0.5555555555555556 nateglinide High-priority: Binding assay phenelzine→?; validate in uterine_fibroid cell model. Expected: similar to nateglinide (Jaccard=0.56) levorphanol primary_biliary_cirrhosis GAP_HIGH 0.1639 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fulvestrant (Jaccard=0.46) levorphanol thymus_cancer GAP_HIGH 0.1639 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) l-methionine systemic_scleroderma GAP_HIGH 0.1639 0.37209302325581395 penicillamine High-priority: Binding assay l-methionine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.37) clofarabine colon_cancer GAP_HIGH 0.1639 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) ketazolam atherosclerosis GAP_HIGH 0.1639 0.3103448275862069 flurbiprofen High-priority: Binding assay ketazolam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.31) quinethazone sclerosing_cholangitis GAP_HIGH 0.1639 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.31) ritodrine esophageal_cancer GAP_HIGH 0.1639 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) cilazapril pharynx_cancer GAP_HIGH 0.1639 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in pharynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) nicardipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1639 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine autistic_disorder GAP_HIGH 0.1639 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine nicotine_dependence GAP_HIGH 0.1639 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat duodenum_cancer GAP_HIGH 0.1639 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in duodenum_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat gallbladder_cancer GAP_HIGH 0.1639 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in gallbladder_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat melanoma GAP_HIGH 0.1639 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.25) caffeine epilepsy_syndrome GAP_HIGH 0.1639 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.22) labetalol sclerosing_cholangitis GAP_HIGH 0.1639 0.2 aciclovir High-priority: Binding assay labetalol→?; validate in sclerosing_cholangitis cell model. Expected: similar to aciclovir (Jaccard=0.20) sodium_lauryl_sulfate pancreatitis GAP_HIGH 0.1639 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in pancreatitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid autistic_disorder GAP_LOW 0.1639 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs autistic_disorder targets. Cross-check alpha-linolenic_acid pharmacophore against autistic_disorder pathway. alpha-linolenic_acid nicotine_dependence GAP_LOW 0.1639 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs nicotine_dependence targets. Cross-check alpha-linolenic_acid pharmacophore against nicotine_dependence pathway. lubiprostone meningioma GAP_LOW 0.1639 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs meningioma targets. Cross-check lubiprostone pharmacophore against meningioma pathway. clonazepam duodenum_cancer GAP_HIGH 0.1638 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) clonazepam gallbladder_cancer GAP_HIGH 0.1638 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) levonordefrin thyroid_cancer GAP_HIGH 0.1638 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in thyroid_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) l-carnitine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1638 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine epilepsy_syndrome GAP_HIGH 0.1638 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in epilepsy_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.27) carvedilol esophageal_cancer GAP_HIGH 0.1638 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in esophageal_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) triamterene skin_cancer GAP_HIGH 0.1638 0.25 warfarin High-priority: Binding assay triamterene→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.25) caffeine germ_cell_cancer GAP_HIGH 0.1638 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) sodium_tetradecyl_sulfate systemic_scleroderma GAP_LOW 0.1638 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs systemic_scleroderma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against systemic_scleroderma pathway. methacholine atherosclerosis GAP_LOW 0.1638 0.1111111111111111 salicylate-sodium Low-priority: Computational docking methacholine vs atherosclerosis targets. Cross-check methacholine pharmacophore against atherosclerosis pathway. solifenacin dilated_cardiomyopathy GAP_LOW 0.1638 0.1 trandolapril Low-priority: Computational docking solifenacin vs dilated_cardiomyopathy targets. Cross-check solifenacin pharmacophore against dilated_cardiomyopathy pathway. aminoglutethimide pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking aminoglutethimide vs pagets_disease_of_bone targets. Cross-check aminoglutethimide pharmacophore against pagets_disease_of_bone pathway. glutethimide pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking glutethimide vs pagets_disease_of_bone targets. Cross-check glutethimide pharmacophore against pagets_disease_of_bone pathway. ibuprofen pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking ibuprofen vs pagets_disease_of_bone targets. Cross-check ibuprofen pharmacophore against pagets_disease_of_bone pathway. irbesartan pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking irbesartan vs pagets_disease_of_bone targets. Cross-check irbesartan pharmacophore against pagets_disease_of_bone pathway. losartan pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking losartan vs pagets_disease_of_bone targets. Cross-check losartan pharmacophore against pagets_disease_of_bone pathway. methacholine pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking methacholine vs pagets_disease_of_bone targets. Cross-check methacholine pharmacophore against pagets_disease_of_bone pathway. methylphenobarbital pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking methylphenobarbital vs pagets_disease_of_bone targets. Cross-check methylphenobarbital pharmacophore against pagets_disease_of_bone pathway. valsartan pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking valsartan vs pagets_disease_of_bone targets. Cross-check valsartan pharmacophore against pagets_disease_of_bone pathway. zolmitriptan pagets_disease_of_bone GAP_LOW 0.1638 0.0 ibandronate Low-priority: Computational docking zolmitriptan vs pagets_disease_of_bone targets. Cross-check zolmitriptan pharmacophore against pagets_disease_of_bone pathway. l-dopa systemic_lupus_erythematosus GAP_HIGH 0.1637 0.5454545454545454 isoetarine High-priority: Binding assay l-dopa→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoetarine (Jaccard=0.55) methyltestosterone obesity GAP_HIGH 0.1637 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in obesity cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) afatinib sclerosing_cholangitis GAP_HIGH 0.1637 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to erlotinib (Jaccard=0.47) probenecid sclerosing_cholangitis GAP_HIGH 0.1637 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) ospemifene obesity GAP_HIGH 0.1637 0.42857142857142855 candesartan High-priority: Binding assay ospemifene→?; validate in obesity cell model. Expected: similar to candesartan (Jaccard=0.43) etonogestrel psoriasis GAP_HIGH 0.1637 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in psoriasis cell model. Expected: similar to norethindrone (Jaccard=0.40) clofarabine ulcerative_colitis GAP_HIGH 0.1637 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.35) clobazam leprosy GAP_HIGH 0.1637 0.3 phensuximide High-priority: Binding assay clobazam→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.30) amlodipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1637 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) benazepril muscle_cancer GAP_HIGH 0.1637 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in muscle_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) nicardipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1637 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) triamterene vulva_cancer GAP_HIGH 0.1637 0.25 vincristine High-priority: Binding assay triamterene→?; validate in vulva_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) aminoglutethimide rectum_cancer GAP_HIGH 0.1637 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) l-ornithine type_2_diabetes_mellitus GAP_HIGH 0.1637 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to l-lysine (Jaccard=0.22) primidone osteoarthritis GAP_HIGH 0.1637 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in osteoarthritis cell model. Expected: similar to phenmetrazine (Jaccard=0.22) pentobarbital membranous_glomerulonephritis GAP_HIGH 0.1637 0.20833333333333334 chlorprothixene High-priority: Binding assay pentobarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.21) primidone meningioma GAP_HIGH 0.1637 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in meningioma cell model. Expected: similar to pantoprazole (Jaccard=0.20) alpha-linolenic_acid attention_deficit_hyperactivity_disorder GAP_LOW 0.1637 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs attention_deficit_hyperactivity_disorder targets. Cross-check alpha-linolenic_acid pharmacophore against attention_deficit_hyperactivity_disorder pathway. sodium_tetradecyl_sulfate uterine_fibroid GAP_LOW 0.1637 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs uterine_fibroid targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against uterine_fibroid pathway. dextrothyroxine idiopathic_pulmonary_fibrosis GAP_LOW 0.1637 0.125 dienestrol Low-priority: Computational docking dextrothyroxine vs idiopathic_pulmonary_fibrosis targets. Cross-check dextrothyroxine pharmacophore against idiopathic_pulmonary_fibrosis pathway. diethylstilbestrol amyotrophic_lateral_sclerosis GAP_HIGH 0.1636 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) diethylstilbestrol autistic_disorder GAP_HIGH 0.1636 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in autistic_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) diethylstilbestrol nicotine_dependence GAP_HIGH 0.1636 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in nicotine_dependence cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) megestrol_acetate crohns_disease GAP_HIGH 0.1636 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in crohns_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.50) sotalol lung_cancer GAP_HIGH 0.1636 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.41) tamsulosin migraine GAP_HIGH 0.1636 0.4 methocarbamol High-priority: Binding assay tamsulosin→?; validate in migraine cell model. Expected: similar to methocarbamol (Jaccard=0.40) isoetarine pancreatitis GAP_HIGH 0.1636 0.375 carbidopa High-priority: Binding assay isoetarine→?; validate in pancreatitis cell model. Expected: similar to carbidopa (Jaccard=0.38) clofarabine ovarian_cancer GAP_HIGH 0.1636 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.35) amodiaquine thyroid_cancer GAP_HIGH 0.1636 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) benazepril lung_cancer GAP_HIGH 0.1636 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in lung_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) cilazapril thyroid_cancer GAP_HIGH 0.1636 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in thyroid_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) vorinostat sclerosing_cholangitis GAP_HIGH 0.1636 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.25) l-ornithine vitiligo GAP_HIGH 0.1636 0.2222222222222222 l-lysine High-priority: Binding assay l-ornithine→?; validate in vitiligo cell model. Expected: similar to l-lysine (Jaccard=0.22) aminoglutethimide membranous_glomerulonephritis GAP_HIGH 0.1636 0.2 chlorthalidone High-priority: Binding assay aminoglutethimide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.20) sodium_lauryl_sulfate lung_cancer GAP_HIGH 0.1636 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate rectum_cancer GAP_HIGH 0.1636 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in rectum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) lubiprostone crohns_disease GAP_LOW 0.1636 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs crohns_disease targets. Cross-check lubiprostone pharmacophore against crohns_disease pathway. adenosine_triphosphate barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking adenosine_triphosphate vs barretts_esophagus targets. Cross-check adenosine_triphosphate pharmacophore against barretts_esophagus pathway. diclofenac barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking diclofenac vs barretts_esophagus targets. Cross-check diclofenac pharmacophore against barretts_esophagus pathway. ethylmorphine barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking ethylmorphine vs barretts_esophagus targets. Cross-check ethylmorphine pharmacophore against barretts_esophagus pathway. hydromorphone barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking hydromorphone vs barretts_esophagus targets. Cross-check hydromorphone pharmacophore against barretts_esophagus pathway. imipramine barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking imipramine vs barretts_esophagus targets. Cross-check imipramine pharmacophore against barretts_esophagus pathway. lidocaine barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking lidocaine vs barretts_esophagus targets. Cross-check lidocaine pharmacophore against barretts_esophagus pathway. practolol barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking practolol vs barretts_esophagus targets. Cross-check practolol pharmacophore against barretts_esophagus pathway. s-adenosylmethionine barretts_esophagus GAP_LOW 0.1636 0.0 pantoprazole Low-priority: Computational docking s-adenosylmethionine vs barretts_esophagus targets. Cross-check s-adenosylmethionine pharmacophore against barretts_esophagus pathway. mesalazine obesity GAP_HIGH 0.1635 0.6666666666666666 isoprenaline High-priority: Binding assay mesalazine→?; validate in obesity cell model. Expected: similar to isoprenaline (Jaccard=0.67) diethylstilbestrol urinary_bladder_cancer GAP_HIGH 0.1635 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in urinary_bladder_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) dydrogesterone mediastinal_cancer GAP_HIGH 0.1635 0.47058823529411764 medrysone High-priority: Binding assay dydrogesterone→?; validate in mediastinal_cancer cell model. Expected: similar to medrysone (Jaccard=0.47) tranylcypromine colon_cancer GAP_HIGH 0.1635 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.45) tripelennamine creutzfeldt-jakob_disease GAP_HIGH 0.1635 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) sotalol alzheimers_disease GAP_HIGH 0.1635 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.41) diphenidol salivary_gland_cancer GAP_HIGH 0.1635 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.38) phenformin glaucoma GAP_HIGH 0.1635 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) milnacipran metabolic_syndrome_x GAP_HIGH 0.1635 0.3333333333333333 brompheniramine High-priority: Binding assay milnacipran→?; validate in metabolic_syndrome_x cell model. Expected: similar to brompheniramine (Jaccard=0.33) quinethazone pharynx_cancer GAP_HIGH 0.1635 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) aspartame acquired_immunodeficiency_syndrome GAP_HIGH 0.1635 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.29) halazepam systemic_lupus_erythematosus GAP_HIGH 0.1635 0.2857142857142857 nitrazepam High-priority: Binding assay halazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to nitrazepam (Jaccard=0.29) amphetamine brain_cancer GAP_HIGH 0.1635 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) vorinostat creutzfeldt-jakob_disease GAP_HIGH 0.1635 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to aripiprazole (Jaccard=0.25) clenbuterol head_and_neck_cancer GAP_HIGH 0.1635 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) clenbuterol malignant_glioma GAP_HIGH 0.1635 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) ranolazine atherosclerosis GAP_HIGH 0.1635 0.1875 clofibrate High-priority: Binding assay ranolazine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.19) sodium_lauryl_sulfate liver_cancer GAP_HIGH 0.1635 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in liver_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) dydrogesterone thymus_cancer GAP_HIGH 0.1634 0.47058823529411764 medrysone High-priority: Binding assay dydrogesterone→?; validate in thymus_cancer cell model. Expected: similar to medrysone (Jaccard=0.47) tolterodine gout GAP_HIGH 0.1634 0.4444444444444444 doxepin High-priority: Binding assay tolterodine→?; validate in gout cell model. Expected: similar to doxepin (Jaccard=0.44) sotalol autistic_disorder GAP_HIGH 0.1634 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in autistic_disorder cell model. Expected: similar to melphalan (Jaccard=0.41) sotalol nicotine_dependence GAP_HIGH 0.1634 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.41) flurandrenolide type_1_diabetes_mellitus GAP_HIGH 0.1634 0.375 amcinonide High-priority: Binding assay flurandrenolide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to amcinonide (Jaccard=0.38) imipramine hepatitis_b GAP_HIGH 0.1634 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.38) zafirlukast uterine_fibroid GAP_HIGH 0.1634 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.38) quinethazone ankylosing_spondylitis GAP_HIGH 0.1634 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.31) halazepam metabolic_syndrome_x GAP_HIGH 0.1634 0.2857142857142857 nitrazepam High-priority: Binding assay halazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to nitrazepam (Jaccard=0.29) proparacaine malaria GAP_HIGH 0.1634 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in malaria cell model. Expected: similar to phenmetrazine (Jaccard=0.29) benazepril liver_cancer GAP_HIGH 0.1634 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in liver_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) chlorthalidone alcohol_dependence GAP_HIGH 0.1634 0.25 midazolam High-priority: Binding assay chlorthalidone→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.25) choline larynx_cancer GAP_HIGH 0.1634 0.25 vincristine High-priority: Binding assay choline→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) nicardipine asthma GAP_HIGH 0.1634 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine conduct_disorder GAP_HIGH 0.1634 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine panic_disorder GAP_HIGH 0.1634 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine schizophrenia GAP_HIGH 0.1634 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.25) sodium_lauryl_sulfate autistic_disorder GAP_HIGH 0.1634 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in autistic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate nicotine_dependence GAP_HIGH 0.1634 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in nicotine_dependence cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid asthma GAP_LOW 0.1634 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs asthma targets. Cross-check alpha-linolenic_acid pharmacophore against asthma pathway. alpha-linolenic_acid conduct_disorder GAP_LOW 0.1634 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs conduct_disorder targets. Cross-check alpha-linolenic_acid pharmacophore against conduct_disorder pathway. alpha-linolenic_acid panic_disorder GAP_LOW 0.1634 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs panic_disorder targets. Cross-check alpha-linolenic_acid pharmacophore against panic_disorder pathway. alpha-linolenic_acid schizophrenia GAP_LOW 0.1634 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs schizophrenia targets. Cross-check alpha-linolenic_acid pharmacophore against schizophrenia pathway. gliquidone acquired_immunodeficiency_syndrome GAP_LOW 0.1634 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs acquired_immunodeficiency_syndrome targets. Cross-check gliquidone pharmacophore against acquired_immunodeficiency_syndrome pathway. sodium_tetradecyl_sulfate vitiligo GAP_LOW 0.1634 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs vitiligo targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against vitiligo pathway. sodium_lauryl_sulfate esophageal_cancer GAP_LOW 0.1634 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs esophageal_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against esophageal_cancer pathway. ethinyl_estradiol polycystic_ovary_syndrome GAP_HIGH 0.1633 0.5789473684210527 mestranol High-priority: Binding assay ethinyl_estradiol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to mestranol (Jaccard=0.58) nateglinide atherosclerosis GAP_HIGH 0.1633 0.5555555555555556 phenelzine High-priority: Binding assay nateglinide→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.56) estradiol intracranial_aneurysm GAP_HIGH 0.1633 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.54) probenecid ankylosing_spondylitis GAP_HIGH 0.1633 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) tranylcypromine psoriasis GAP_HIGH 0.1633 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) tranylcypromine ulcerative_colitis GAP_HIGH 0.1633 0.45454545454545453 sulfanilamide High-priority: Binding assay tranylcypromine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) estazolam narcolepsy GAP_HIGH 0.1633 0.42105263157894735 chlordiazepoxide High-priority: Binding assay estazolam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.42) diphenidol ocular_cancer GAP_HIGH 0.1633 0.375 phenylbutazone High-priority: Binding assay diphenidol→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.38) quinethazone thyroid_cancer GAP_HIGH 0.1633 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) l-arginine gout GAP_HIGH 0.1633 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in gout cell model. Expected: similar to dexamethasone (Jaccard=0.27) cilazapril pancreatitis GAP_HIGH 0.1633 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in pancreatitis cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril salivary_gland_cancer GAP_HIGH 0.1633 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in salivary_gland_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) nicardipine allergic_rhinitis GAP_HIGH 0.1633 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine atopic_dermatitis GAP_HIGH 0.1633 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nicardipine breast_cancer GAP_HIGH 0.1633 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in breast_cancer cell model. Expected: similar to ezetimibe (Jaccard=0.25) tolazamide crohns_disease GAP_HIGH 0.1633 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.25) aminoglutethimide peripheral_nervous_system_neoplasm GAP_HIGH 0.1633 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.22) caffeine alzheimers_disease GAP_HIGH 0.1633 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine parkinsons_disease GAP_HIGH 0.1633 0.2222222222222222 cyproheptadine High-priority: Binding assay caffeine→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.22) primidone systemic_scleroderma GAP_HIGH 0.1633 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in systemic_scleroderma cell model. Expected: similar to phenmetrazine (Jaccard=0.22) clenbuterol nephrolithiasis GAP_HIGH 0.1633 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.21) flutamide nephrolithiasis GAP_HIGH 0.1633 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in nephrolithiasis cell model. Expected: similar to paclitaxel (Jaccard=0.20) sodium_lauryl_sulfate peripheral_nervous_system_neoplasm GAP_HIGH 0.1633 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid allergic_rhinitis GAP_LOW 0.1633 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs allergic_rhinitis targets. Cross-check alpha-linolenic_acid pharmacophore against allergic_rhinitis pathway. alpha-linolenic_acid atopic_dermatitis GAP_LOW 0.1633 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs atopic_dermatitis targets. Cross-check alpha-linolenic_acid pharmacophore against atopic_dermatitis pathway. alpha-linolenic_acid hypertension GAP_LOW 0.1633 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs hypertension targets. Cross-check alpha-linolenic_acid pharmacophore against hypertension pathway. lubiprostone idiopathic_pulmonary_fibrosis GAP_LOW 0.1633 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs idiopathic_pulmonary_fibrosis targets. Cross-check lubiprostone pharmacophore against idiopathic_pulmonary_fibrosis pathway. oxyphenonium bone_cancer GAP_LOW 0.1633 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs bone_cancer targets. Cross-check oxyphenonium pharmacophore against bone_cancer pathway. dronedarone dilated_cardiomyopathy GAP_LOW 0.1633 0.07692307692307693 trandolapril Low-priority: Computational docking dronedarone vs dilated_cardiomyopathy targets. Cross-check dronedarone pharmacophore against dilated_cardiomyopathy pathway. riboflavin leprosy GAP_LOW 0.1633 0.05555555555555555 phensuximide Low-priority: Computational docking riboflavin vs leprosy targets. Cross-check riboflavin pharmacophore against leprosy pathway. methyltestosterone restless_legs_syndrome GAP_HIGH 0.1632 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in restless_legs_syndrome cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) sotalol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1632 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to suprofen (Jaccard=0.41) benzocaine duodenum_cancer GAP_HIGH 0.1632 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in duodenum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine gallbladder_cancer GAP_HIGH 0.1632 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) orciprenaline type_1_diabetes_mellitus GAP_HIGH 0.1632 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.33) tafluprost obesity GAP_HIGH 0.1632 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.30) l-carnitine alzheimers_disease GAP_HIGH 0.1632 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in alzheimers_disease cell model. Expected: similar to alcaftadine (Jaccard=0.27) benazepril peripheral_nervous_system_neoplasm GAP_HIGH 0.1632 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to sirolimus (Jaccard=0.25) benazepril urinary_bladder_cancer GAP_HIGH 0.1632 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in urinary_bladder_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) nicardipine bipolar_disorder GAP_HIGH 0.1632 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) caffeine amyotrophic_lateral_sclerosis GAP_HIGH 0.1632 0.2222222222222222 cyproheptadine High-priority: Binding assay caffeine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=0.22) caffeine autistic_disorder GAP_HIGH 0.1632 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine nicotine_dependence GAP_HIGH 0.1632 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.22) bimatoprost malaria GAP_HIGH 0.1632 0.18181818181818182 caffeine High-priority: Binding assay bimatoprost→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.18) sodium_lauryl_sulfate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1632 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.17) solifenacin meningioma GAP_HIGH 0.1632 0.15789473684210525 fentanyl High-priority: Binding assay solifenacin→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.16) alpha-linolenic_acid bipolar_disorder GAP_LOW 0.1632 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs bipolar_disorder targets. Cross-check alpha-linolenic_acid pharmacophore against bipolar_disorder pathway. dinoprost_tromethamine larynx_cancer GAP_LOW 0.1632 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs larynx_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against larynx_cancer pathway. sodium_tetradecyl_sulfate rheumatoid_arthritis GAP_LOW 0.1632 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs rheumatoid_arthritis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against rheumatoid_arthritis pathway. diethylstilbestrol conduct_disorder GAP_HIGH 0.1631 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in conduct_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) methyltestosterone type_2_diabetes_mellitus GAP_HIGH 0.1631 0.47058823529411764 testosterone_propionate High-priority: Binding assay methyltestosterone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to testosterone_propionate (Jaccard=0.47) diphemanil_methylsulfate chronic_kidney_failure GAP_HIGH 0.1631 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in chronic_kidney_failure cell model. Expected: similar to dimetacrine (Jaccard=0.44) ospemifene polycystic_ovary_syndrome GAP_HIGH 0.1631 0.42857142857142855 candesartan High-priority: Binding assay ospemifene→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to candesartan (Jaccard=0.43) tamsulosin osteoarthritis GAP_HIGH 0.1631 0.4 methocarbamol High-priority: Binding assay tamsulosin→?; validate in osteoarthritis cell model. Expected: similar to methocarbamol (Jaccard=0.40) zafirlukast restless_legs_syndrome GAP_HIGH 0.1631 0.375 bezafibrate High-priority: Binding assay zafirlukast→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.38) tolazoline pancreatitis GAP_HIGH 0.1631 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) l-carnitine autistic_disorder GAP_HIGH 0.1631 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in autistic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine nicotine_dependence GAP_HIGH 0.1631 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in nicotine_dependence cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine parkinsons_disease GAP_HIGH 0.1631 0.2727272727272727 cyproheptadine High-priority: Binding assay l-carnitine→?; validate in parkinsons_disease cell model. Expected: similar to cyproheptadine (Jaccard=0.27) nicardipine endogenous_depression GAP_HIGH 0.1631 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.25) glutethimide celiac_disease GAP_HIGH 0.1631 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.23) linaclotide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1631 0.15384615384615385 zafirlukast High-priority: Binding assay linaclotide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.15) alpha-linolenic_acid endogenous_depression GAP_LOW 0.1631 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs endogenous_depression targets. Cross-check alpha-linolenic_acid pharmacophore against endogenous_depression pathway. alpha-linolenic_acid osteoporosis GAP_LOW 0.1631 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs osteoporosis targets. Cross-check alpha-linolenic_acid pharmacophore against osteoporosis pathway. alpha-linolenic_acid psoriasis GAP_LOW 0.1631 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs psoriasis targets. Cross-check alpha-linolenic_acid pharmacophore against psoriasis pathway. l-dopa systemic_scleroderma GAP_HIGH 0.163 0.5454545454545454 isoetarine High-priority: Binding assay l-dopa→?; validate in systemic_scleroderma cell model. Expected: similar to isoetarine (Jaccard=0.55) cortisone_acetate penile_cancer GAP_HIGH 0.163 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in penile_cancer cell model. Expected: similar to medrysone (Jaccard=0.46) quinethazone pancreatitis GAP_HIGH 0.163 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.31) halazepam obesity GAP_HIGH 0.163 0.2857142857142857 nitrazepam High-priority: Binding assay halazepam→?; validate in obesity cell model. Expected: similar to nitrazepam (Jaccard=0.29) l-carnitine amyotrophic_lateral_sclerosis GAP_HIGH 0.163 0.2727272727272727 cyproheptadine High-priority: Binding assay l-carnitine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyproheptadine (Jaccard=0.27) cilazapril ocular_cancer GAP_HIGH 0.163 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in ocular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril rectum_cancer GAP_HIGH 0.163 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in rectum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) dipivefrin dilated_cardiomyopathy GAP_HIGH 0.163 0.25 milrinone High-priority: Binding assay dipivefrin→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) nicardipine migraine GAP_HIGH 0.163 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in migraine cell model. Expected: similar to ezetimibe (Jaccard=0.25) caffeine attention_deficit_hyperactivity_disorder GAP_HIGH 0.163 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.22) pentostatin nephrolithiasis GAP_HIGH 0.163 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in nephrolithiasis cell model. Expected: similar to gemcitabine (Jaccard=0.22) caffeine malignant_mesothelioma GAP_HIGH 0.163 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.20) primidone prostate_cancer GAP_HIGH 0.163 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in prostate_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril head_and_neck_cancer GAP_HIGH 0.163 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) quinapril malignant_glioma GAP_HIGH 0.163 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.20) alpha-linolenic_acid migraine GAP_LOW 0.163 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs migraine targets. Cross-check alpha-linolenic_acid pharmacophore against migraine pathway. lubiprostone gout GAP_LOW 0.163 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs gout targets. Cross-check lubiprostone pharmacophore against gout pathway. diethylstilbestrol bipolar_disorder GAP_HIGH 0.1629 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in bipolar_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) afatinib pancreatitis GAP_HIGH 0.1629 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in pancreatitis cell model. Expected: similar to erlotinib (Jaccard=0.47) levonordefrin urinary_bladder_cancer GAP_HIGH 0.1629 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in urinary_bladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.46) levorphanol melanoma GAP_HIGH 0.1629 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in melanoma cell model. Expected: similar to fulvestrant (Jaccard=0.46) tripelennamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1629 0.4444444444444444 dimetindene High-priority: Binding assay tripelennamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dimetindene (Jaccard=0.44) ospemifene rheumatoid_arthritis GAP_HIGH 0.1629 0.42857142857142855 candesartan High-priority: Binding assay ospemifene→?; validate in rheumatoid_arthritis cell model. Expected: similar to candesartan (Jaccard=0.43) sotalol conduct_disorder GAP_HIGH 0.1629 0.4117647058823529 melphalan High-priority: Binding assay sotalol→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.41) sotalol panic_disorder GAP_HIGH 0.1629 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in panic_disorder cell model. Expected: similar to suprofen (Jaccard=0.41) sotalol schizophrenia GAP_HIGH 0.1629 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in schizophrenia cell model. Expected: similar to suprofen (Jaccard=0.41) aceprometazine celiac_disease GAP_HIGH 0.1629 0.4 mepenzolate High-priority: Binding assay aceprometazine→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.40) allylestrenol penile_cancer GAP_HIGH 0.1629 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in penile_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) benzocaine sclerosing_cholangitis GAP_HIGH 0.1629 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) l-carnitine germ_cell_cancer GAP_HIGH 0.1629 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) nilvadipine alzheimers_disease GAP_HIGH 0.1629 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine parkinsons_disease GAP_HIGH 0.1629 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat chronic_obstructive_pulmonary_disease GAP_HIGH 0.1629 0.25 haloperidol High-priority: Binding assay vorinostat→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to haloperidol (Jaccard=0.25) vorinostat epilepsy_syndrome GAP_HIGH 0.1629 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in epilepsy_syndrome cell model. Expected: similar to aripiprazole (Jaccard=0.25) sodium_lauryl_sulfate asthma GAP_HIGH 0.1629 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in asthma cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate conduct_disorder GAP_HIGH 0.1629 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in conduct_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate panic_disorder GAP_HIGH 0.1629 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in panic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate schizophrenia GAP_HIGH 0.1629 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in schizophrenia cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_tetradecyl_sulfate psoriatic_arthritis GAP_LOW 0.1629 0.14285714285714285 diflorasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs psoriatic_arthritis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against psoriatic_arthritis pathway. diethylstilbestrol multiple_sclerosis GAP_HIGH 0.1628 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in multiple_sclerosis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) diethylstilbestrol psoriasis GAP_HIGH 0.1628 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in psoriasis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) sotalol colon_cancer GAP_HIGH 0.1628 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.41) etonogestrel systemic_scleroderma GAP_HIGH 0.1628 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in systemic_scleroderma cell model. Expected: similar to norethindrone (Jaccard=0.40) phenindione prostate_cancer GAP_HIGH 0.1628 0.38095238095238093 azelastine High-priority: Binding assay phenindione→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) benzocaine creutzfeldt-jakob_disease GAP_HIGH 0.1628 0.3333333333333333 tapentadol High-priority: Binding assay benzocaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tapentadol (Jaccard=0.33) quinethazone muscle_cancer GAP_HIGH 0.1628 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in muscle_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinestrol restless_legs_syndrome GAP_HIGH 0.1628 0.2777777777777778 prednisone High-priority: Binding assay quinestrol→?; validate in restless_legs_syndrome cell model. Expected: similar to prednisone (Jaccard=0.28) l-carnitine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1628 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.27) cilazapril liver_cancer GAP_HIGH 0.1628 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in liver_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) nilvadipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1628 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine autistic_disorder GAP_HIGH 0.1628 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine nicotine_dependence GAP_HIGH 0.1628 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.25) primidone vitiligo GAP_HIGH 0.1628 0.2222222222222222 phenmetrazine High-priority: Binding assay primidone→?; validate in vitiligo cell model. Expected: similar to phenmetrazine (Jaccard=0.22) pyrimethamine uterine_cancer GAP_HIGH 0.1628 0.2222222222222222 mitiglinide High-priority: Binding assay pyrimethamine→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.22) pentobarbital coronary_artery_disease GAP_HIGH 0.1628 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in coronary_artery_disease cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) pentobarbital narcolepsy GAP_HIGH 0.1628 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) primidone mediastinal_cancer GAP_HIGH 0.1628 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in mediastinal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone primary_biliary_cirrhosis GAP_HIGH 0.1628 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to pantoprazole (Jaccard=0.20) ranolazine malaria GAP_HIGH 0.1628 0.1875 tranylcypromine High-priority: Binding assay ranolazine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.19) labetalol chronic_kidney_failure GAP_HIGH 0.1628 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in chronic_kidney_failure cell model. Expected: similar to trimipramine (Jaccard=0.18) sodium_lauryl_sulfate atopic_dermatitis GAP_HIGH 0.1628 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in atopic_dermatitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate colon_cancer GAP_HIGH 0.1628 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in colon_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate stomach_cancer GAP_HIGH 0.1628 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in stomach_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) desipramine vitiligo GAP_HIGH 0.1627 0.5714285714285714 imipramine High-priority: Binding assay desipramine→?; validate in vitiligo cell model. Expected: similar to imipramine (Jaccard=0.57) megestrol_acetate coronary_artery_disease GAP_HIGH 0.1627 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in coronary_artery_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.50) tripelennamine pancreatitis GAP_HIGH 0.1627 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in pancreatitis cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) sotalol bipolar_disorder GAP_HIGH 0.1627 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in bipolar_disorder cell model. Expected: similar to suprofen (Jaccard=0.41) conjugated_estrogens alopecia_areata GAP_HIGH 0.1627 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.33) tolazoline ocular_cancer GAP_HIGH 0.1627 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) quinethazone lung_cancer GAP_HIGH 0.1627 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone rectum_cancer GAP_HIGH 0.1627 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) abacavir psoriatic_arthritis GAP_HIGH 0.1627 0.3 vidarabine High-priority: Binding assay abacavir→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.30) epinephrine glaucoma GAP_HIGH 0.1627 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) benazepril atopic_dermatitis GAP_HIGH 0.1627 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in atopic_dermatitis cell model. Expected: similar to sirolimus (Jaccard=0.25) benazepril stomach_cancer GAP_HIGH 0.1627 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in stomach_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) cilazapril peripheral_nervous_system_neoplasm GAP_HIGH 0.1627 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril urinary_bladder_cancer GAP_HIGH 0.1627 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in urinary_bladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) tolazamide primary_biliary_cirrhosis GAP_HIGH 0.1627 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat pancreatitis GAP_HIGH 0.1627 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.25) caffeine asthma GAP_HIGH 0.1627 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine conduct_disorder GAP_HIGH 0.1627 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine panic_disorder GAP_HIGH 0.1627 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine schizophrenia GAP_HIGH 0.1627 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=0.22) primidone thymus_cancer GAP_HIGH 0.1627 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in thymus_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) sodium_lauryl_sulfate allergic_rhinitis GAP_HIGH 0.1627 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in allergic_rhinitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate bipolar_disorder GAP_HIGH 0.1627 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in bipolar_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate pancreatic_cancer GAP_HIGH 0.1627 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in pancreatic_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid metabolic_syndrome_x GAP_LOW 0.1627 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs metabolic_syndrome_x targets. Cross-check alpha-linolenic_acid pharmacophore against metabolic_syndrome_x pathway. lubiprostone hematologic_cancer GAP_LOW 0.1627 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs hematologic_cancer targets. Cross-check lubiprostone pharmacophore against hematologic_cancer pathway. methacholine focal_segmental_glomerulosclerosis GAP_LOW 0.1627 0.125 ergocalciferol Low-priority: Computational docking methacholine vs focal_segmental_glomerulosclerosis targets. Cross-check methacholine pharmacophore against focal_segmental_glomerulosclerosis pathway. sodium_tetradecyl_sulfate prostate_cancer GAP_LOW 0.1627 0.125 desoximetasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs prostate_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against prostate_cancer pathway. methyltestosterone hypothyroidism GAP_LOW 0.1627 0.1111111111111111 methimazole Low-priority: Computational docking methyltestosterone vs hypothyroidism targets. Cross-check methyltestosterone pharmacophore against hypothyroidism pathway. vitamin_c atherosclerosis GAP_LOW 0.1627 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking vitamin_c vs atherosclerosis targets. Cross-check vitamin_c pharmacophore against atherosclerosis pathway. spirapril leprosy GAP_LOW 0.1627 0.08333333333333333 pomalidomide Low-priority: Computational docking spirapril vs leprosy targets. Cross-check spirapril pharmacophore against leprosy pathway. levorphanol barretts_esophagus GAP_LOW 0.1627 0.07692307692307693 pantoprazole Low-priority: Computational docking levorphanol vs barretts_esophagus targets. Cross-check levorphanol pharmacophore against barretts_esophagus pathway. moricizine prostate_cancer GAP_HIGH 0.1626 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in prostate_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.50) oxybuprocaine obesity GAP_HIGH 0.1626 0.47368421052631576 chloroprocaine High-priority: Binding assay oxybuprocaine→?; validate in obesity cell model. Expected: similar to chloroprocaine (Jaccard=0.47) ospemifene psoriatic_arthritis GAP_HIGH 0.1626 0.42857142857142855 candesartan High-priority: Binding assay ospemifene→?; validate in psoriatic_arthritis cell model. Expected: similar to candesartan (Jaccard=0.43) sotalol endogenous_depression GAP_HIGH 0.1626 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in endogenous_depression cell model. Expected: similar to suprofen (Jaccard=0.41) l-phenylalanine azoospermia GAP_HIGH 0.1626 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in azoospermia cell model. Expected: similar to lacosamide (Jaccard=0.36) tafluprost polycystic_ovary_syndrome GAP_HIGH 0.1626 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.30) tafluprost type_2_diabetes_mellitus GAP_HIGH 0.1626 0.3 raloxifene High-priority: Binding assay tafluprost→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.30) amodiaquine urinary_bladder_cancer GAP_HIGH 0.1626 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) l-carnitine panic_disorder GAP_HIGH 0.1626 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in panic_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.27) amphetamine kidney_cancer GAP_HIGH 0.1626 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) benazepril pancreatic_cancer GAP_HIGH 0.1626 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in pancreatic_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) metolazone coronary_artery_disease GAP_HIGH 0.1626 0.25 felodipine High-priority: Binding assay metolazone→?; validate in coronary_artery_disease cell model. Expected: similar to felodipine (Jaccard=0.25) nilvadipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1626 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) aminoglutethimide ovarian_cancer GAP_HIGH 0.1626 0.2222222222222222 methylphenidate High-priority: Binding assay aminoglutethimide→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) caffeine allergic_rhinitis GAP_HIGH 0.1626 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine breast_cancer GAP_HIGH 0.1626 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine colon_cancer GAP_HIGH 0.1626 0.2222222222222222 cyproheptadine High-priority: Binding assay caffeine→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.22) caffeine hypertension GAP_HIGH 0.1626 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.22) sodium_lauryl_sulfate endogenous_depression GAP_HIGH 0.1626 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in endogenous_depression cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate psoriasis GAP_HIGH 0.1626 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in psoriasis cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate ulcerative_colitis GAP_HIGH 0.1626 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in ulcerative_colitis cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid osteoarthritis GAP_LOW 0.1626 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs osteoarthritis targets. Cross-check alpha-linolenic_acid pharmacophore against osteoarthritis pathway. acenocoumarol barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking acenocoumarol vs barretts_esophagus targets. Cross-check acenocoumarol pharmacophore against barretts_esophagus pathway. adenosine_monophosphate barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking adenosine_monophosphate vs barretts_esophagus targets. Cross-check adenosine_monophosphate pharmacophore against barretts_esophagus pathway. amoxapine barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking amoxapine vs barretts_esophagus targets. Cross-check amoxapine pharmacophore against barretts_esophagus pathway. mepyramine barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking mepyramine vs barretts_esophagus targets. Cross-check mepyramine pharmacophore against barretts_esophagus pathway. pralatrexate barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking pralatrexate vs barretts_esophagus targets. Cross-check pralatrexate pharmacophore against barretts_esophagus pathway. tripelennamine barretts_esophagus GAP_LOW 0.1626 0.0 pantoprazole Low-priority: Computational docking tripelennamine vs barretts_esophagus targets. Cross-check tripelennamine pharmacophore against barretts_esophagus pathway. diethylstilbestrol systemic_lupus_erythematosus GAP_HIGH 0.1625 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) estradiol malignant_glioma GAP_HIGH 0.1625 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.54) levorphanol sclerosing_cholangitis GAP_HIGH 0.1625 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in sclerosing_cholangitis cell model. Expected: similar to fulvestrant (Jaccard=0.46) bethanidine hepatitis_b GAP_HIGH 0.1625 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.43) anileridine epilepsy_syndrome GAP_HIGH 0.1625 0.4166666666666667 milnacipran High-priority: Binding assay anileridine→?; validate in epilepsy_syndrome cell model. Expected: similar to milnacipran (Jaccard=0.42) sotalol multiple_sclerosis GAP_HIGH 0.1625 0.4117647058823529 suprofen High-priority: Binding assay sotalol→?; validate in multiple_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.41) sulfadiazine atherosclerosis GAP_HIGH 0.1625 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in atherosclerosis cell model. Expected: similar to olsalazine (Jaccard=0.33) quinethazone liver_cancer GAP_HIGH 0.1625 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) l-carnitine asthma GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in asthma cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine atopic_dermatitis GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in atopic_dermatitis cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine breast_cancer GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in breast_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine colon_cancer GAP_HIGH 0.1625 0.2727272727272727 cyproheptadine High-priority: Binding assay l-carnitine→?; validate in colon_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.27) l-carnitine conduct_disorder GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in conduct_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine hypertension GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in hypertension cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine schizophrenia GAP_HIGH 0.1625 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in schizophrenia cell model. Expected: similar to alcaftadine (Jaccard=0.27) benazepril ovarian_cancer GAP_HIGH 0.1625 0.25 capecitabine High-priority: Binding assay benazepril→?; validate in ovarian_cancer cell model. Expected: similar to capecitabine (Jaccard=0.25) benazepril psoriasis GAP_HIGH 0.1625 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in psoriasis cell model. Expected: similar to sirolimus (Jaccard=0.25) benazepril uterine_cancer GAP_HIGH 0.1625 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in uterine_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) caffeine bipolar_disorder GAP_HIGH 0.1625 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.22) ceruletide esophageal_cancer GAP_HIGH 0.1625 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in esophageal_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) sodium_lauryl_sulfate osteoporosis GAP_HIGH 0.1625 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in osteoporosis cell model. Expected: similar to cyclandelate (Jaccard=0.17) sodium_lauryl_sulfate ovarian_cancer GAP_HIGH 0.1625 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.17) chlorprothixene atherosclerosis GAP_HIGH 0.1624 0.5333333333333333 flurbiprofen High-priority: Binding assay chlorprothixene→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.53) afatinib liver_cancer GAP_HIGH 0.1624 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in liver_cancer cell model. Expected: similar to erlotinib (Jaccard=0.47) antipyrine ulcerative_colitis GAP_HIGH 0.1624 0.4 phenindione High-priority: Binding assay antipyrine→?; validate in ulcerative_colitis cell model. Expected: similar to phenindione (Jaccard=0.40) phenindione hematologic_cancer GAP_HIGH 0.1624 0.38095238095238093 azelastine High-priority: Binding assay phenindione→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) benzocaine ankylosing_spondylitis GAP_HIGH 0.1624 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) norelgestromin penile_cancer GAP_HIGH 0.1624 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in penile_cancer cell model. Expected: similar to betamethasone (Jaccard=0.33) tolazoline peripheral_nervous_system_neoplasm GAP_HIGH 0.1624 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) halazepam type_2_diabetes_mellitus GAP_HIGH 0.1624 0.2857142857142857 nitrazepam High-priority: Binding assay halazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to nitrazepam (Jaccard=0.29) l-carnitine allergic_rhinitis GAP_HIGH 0.1624 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in allergic_rhinitis cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine bipolar_disorder GAP_HIGH 0.1624 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in bipolar_disorder cell model. Expected: similar to alcaftadine (Jaccard=0.27) zolpidem celiac_disease GAP_HIGH 0.1624 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.27) benazepril sarcoma GAP_HIGH 0.1624 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in sarcoma cell model. Expected: similar to sirolimus (Jaccard=0.25) ibuprofen nephrolithiasis GAP_HIGH 0.1624 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in nephrolithiasis cell model. Expected: similar to paclitaxel (Jaccard=0.25) tolazamide coronary_artery_disease GAP_HIGH 0.1624 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat lung_cancer GAP_HIGH 0.1624 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in lung_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat rectum_cancer GAP_HIGH 0.1624 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in rectum_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) caffeine endogenous_depression GAP_HIGH 0.1624 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=0.22) fenbufen leprosy GAP_HIGH 0.1624 0.1951219512195122 phensuximide High-priority: Binding assay fenbufen→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.20) sodium_lauryl_sulfate sarcoma GAP_HIGH 0.1624 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in sarcoma cell model. Expected: similar to cyclandelate (Jaccard=0.17) trimethoprim malaria GAP_HIGH 0.1624 0.16666666666666666 caffeine High-priority: Binding assay trimethoprim→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.17) dinoprost_tromethamine nephrolithiasis GAP_HIGH 0.1624 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in nephrolithiasis cell model. Expected: similar to pazopanib (Jaccard=0.15) tretinoin pagets_disease_of_bone GAP_LOW 0.1624 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs pagets_disease_of_bone targets. Cross-check tretinoin pharmacophore against pagets_disease_of_bone pathway. loxapine obesity GAP_HIGH 0.1623 0.5833333333333334 azelastine High-priority: Binding assay loxapine→?; validate in obesity cell model. Expected: similar to azelastine (Jaccard=0.58) diethylstilbestrol skin_cancer GAP_HIGH 0.1623 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in skin_cancer cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) estradiol nephrolithiasis GAP_HIGH 0.1623 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.54) clonazepam lung_cancer GAP_HIGH 0.1623 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) clonazepam rectum_cancer GAP_HIGH 0.1623 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) levonordefrin bipolar_disorder GAP_HIGH 0.1623 0.46153846153846156 mesalazine High-priority: Binding assay levonordefrin→?; validate in bipolar_disorder cell model. Expected: similar to mesalazine (Jaccard=0.46) etonogestrel vitiligo GAP_HIGH 0.1623 0.4 norethindrone High-priority: Binding assay etonogestrel→?; validate in vitiligo cell model. Expected: similar to norethindrone (Jaccard=0.40) phenformin refractive_error GAP_HIGH 0.1623 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) antipyrine chronic_kidney_failure GAP_HIGH 0.1623 0.35714285714285715 chlorpromazine High-priority: Binding assay antipyrine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorpromazine (Jaccard=0.36) clofarabine polycystic_ovary_syndrome GAP_HIGH 0.1623 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.35) clofarabine vitiligo GAP_HIGH 0.1623 0.35 lamivudine High-priority: Binding assay clofarabine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.35) norepinephrine hematologic_cancer GAP_HIGH 0.1623 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in hematologic_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine narcolepsy GAP_HIGH 0.1623 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.33) doxapram idiopathic_pulmonary_fibrosis GAP_HIGH 0.1623 0.2857142857142857 metaraminol High-priority: Binding assay doxapram→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to metaraminol (Jaccard=0.29) l-carnitine endogenous_depression GAP_HIGH 0.1623 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in endogenous_depression cell model. Expected: similar to alcaftadine (Jaccard=0.27) choline alopecia_areata GAP_HIGH 0.1623 0.25 diflorasone High-priority: Binding assay choline→?; validate in alopecia_areata cell model. Expected: similar to diflorasone (Jaccard=0.25) nilvadipine asthma GAP_HIGH 0.1623 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine panic_disorder GAP_HIGH 0.1623 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine schizophrenia GAP_HIGH 0.1623 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.25) caffeine multiple_sclerosis GAP_HIGH 0.1623 0.2222222222222222 alcaftadine High-priority: Binding assay caffeine→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.22) caffeine ovarian_cancer GAP_HIGH 0.1623 0.2222222222222222 cyproheptadine High-priority: Binding assay caffeine→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.22) aprobarbital sclerosing_cholangitis GAP_HIGH 0.1623 0.20833333333333334 chlordiazepoxide High-priority: Binding assay aprobarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.21) butethal sclerosing_cholangitis GAP_HIGH 0.1623 0.20833333333333334 chlordiazepoxide High-priority: Binding assay butethal→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.21) quinestrol alcohol_dependence GAP_HIGH 0.1623 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.17) sodium_lauryl_sulfate systemic_lupus_erythematosus GAP_HIGH 0.1623 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclandelate (Jaccard=0.17) nitisinone dilated_cardiomyopathy GAP_LOW 0.1623 0.07692307692307693 medrysone Low-priority: Computational docking nitisinone vs dilated_cardiomyopathy targets. Cross-check nitisinone pharmacophore against dilated_cardiomyopathy pathway. clonazepam liver_cancer GAP_HIGH 0.1622 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) tripelennamine alzheimers_disease GAP_HIGH 0.1622 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in alzheimers_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) tripelennamine parkinsons_disease GAP_HIGH 0.1622 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in parkinsons_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) benzocaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1622 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) norelgestromin malignant_mesothelioma GAP_HIGH 0.1622 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in malignant_mesothelioma cell model. Expected: similar to betamethasone (Jaccard=0.33) doxapram uterine_cancer GAP_HIGH 0.1622 0.3 tamoxifen High-priority: Binding assay doxapram→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) l-carnitine multiple_sclerosis GAP_HIGH 0.1622 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in multiple_sclerosis cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine ovarian_cancer GAP_HIGH 0.1622 0.2727272727272727 cyproheptadine High-priority: Binding assay l-carnitine→?; validate in ovarian_cancer cell model. Expected: similar to cyproheptadine (Jaccard=0.27) l-carnitine psoriasis GAP_HIGH 0.1622 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in psoriasis cell model. Expected: similar to alcaftadine (Jaccard=0.27) cytarabine germ_cell_cancer GAP_HIGH 0.1622 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) dihomo-gamma-linolenic_acid polycystic_ovary_syndrome GAP_HIGH 0.1622 0.25 orlistat High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to orlistat (Jaccard=0.25) nilvadipine atopic_dermatitis GAP_HIGH 0.1622 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine breast_cancer GAP_HIGH 0.1622 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in breast_cancer cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine conduct_disorder GAP_HIGH 0.1622 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat alzheimers_disease GAP_HIGH 0.1622 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in alzheimers_disease cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat liver_cancer GAP_HIGH 0.1622 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in liver_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat parkinsons_disease GAP_HIGH 0.1622 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in parkinsons_disease cell model. Expected: similar to aripiprazole (Jaccard=0.25) pyrimethamine vulva_cancer GAP_HIGH 0.1622 0.2222222222222222 mitiglinide High-priority: Binding assay pyrimethamine→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.22) nelarabine osteoporosis GAP_HIGH 0.1622 0.21052631578947367 vidarabine High-priority: Binding assay nelarabine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.21) flavin_adenine_dinucleotide bone_cancer GAP_HIGH 0.1622 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) trimethoprim leprosy GAP_LOW 0.1622 0.08333333333333333 menadione Low-priority: Computational docking trimethoprim vs leprosy targets. Cross-check trimethoprim pharmacophore against leprosy pathway. ethinyl_estradiol barretts_esophagus GAP_LOW 0.1622 0.05555555555555555 pantoprazole Low-priority: Computational docking ethinyl_estradiol vs barretts_esophagus targets. Cross-check ethinyl_estradiol pharmacophore against barretts_esophagus pathway. thioproperazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1621 0.6923076923076923 perphenazine High-priority: Binding assay thioproperazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to perphenazine (Jaccard=0.69) estradiol celiac_disease GAP_HIGH 0.1621 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.54) masoprocol psoriatic_arthritis GAP_HIGH 0.1621 0.5333333333333333 arbutamine High-priority: Binding assay masoprocol→?; validate in psoriatic_arthritis cell model. Expected: similar to arbutamine (Jaccard=0.53) moricizine hematologic_cancer GAP_HIGH 0.1621 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in hematologic_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.50) moricizine narcolepsy GAP_HIGH 0.1621 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in narcolepsy cell model. Expected: similar to thioproperazine (Jaccard=0.50) tripelennamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1621 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) phenoxybenzamine esophageal_cancer GAP_HIGH 0.1621 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) proparacaine azoospermia GAP_HIGH 0.1621 0.3181818181818182 procaine High-priority: Binding assay proparacaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.32) l-carnitine migraine GAP_HIGH 0.1621 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in migraine cell model. Expected: similar to alcaftadine (Jaccard=0.27) l-carnitine malignant_mesothelioma GAP_HIGH 0.1621 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.25) nilvadipine allergic_rhinitis GAP_HIGH 0.1621 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) nilvadipine bipolar_disorder GAP_HIGH 0.1621 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat amyotrophic_lateral_sclerosis GAP_HIGH 0.1621 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to aripiprazole (Jaccard=0.25) papaverine celiac_disease GAP_HIGH 0.1621 0.23076923076923078 diphenylpyraline High-priority: Binding assay papaverine→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) emtricitabine type_2_diabetes_mellitus GAP_HIGH 0.1621 0.2222222222222222 gemcitabine High-priority: Binding assay emtricitabine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.22) caffeine crohns_disease GAP_HIGH 0.1621 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.20) pentostatin bone_cancer GAP_HIGH 0.1621 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) pentobarbital atherosclerosis GAP_HIGH 0.1621 0.15625 flurbiprofen High-priority: Binding assay pentobarbital→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.16) lubiprostone esophageal_cancer GAP_LOW 0.1621 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs esophageal_cancer targets. Cross-check lubiprostone pharmacophore against esophageal_cancer pathway. atomoxetine autistic_disorder GAP_HIGH 0.162 0.6 phenprocoumon High-priority: Binding assay atomoxetine→?; validate in autistic_disorder cell model. Expected: similar to phenprocoumon (Jaccard=0.60) oxybuprocaine polycystic_ovary_syndrome GAP_HIGH 0.162 0.47368421052631576 chloroprocaine High-priority: Binding assay oxybuprocaine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.47) cilazapril ulcerative_colitis GAP_HIGH 0.162 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in ulcerative_colitis cell model. Expected: similar to irinotecan (Jaccard=0.25) etidronic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.162 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to gabapentin (Jaccard=0.25) etidronic_acid nicotine_dependence GAP_HIGH 0.162 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in nicotine_dependence cell model. Expected: similar to gabapentin (Jaccard=0.25) nilvadipine endogenous_depression GAP_HIGH 0.162 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.25) dipivefrin leprosy GAP_HIGH 0.162 0.2 lenalidomide High-priority: Binding assay dipivefrin→?; validate in leprosy cell model. Expected: similar to lenalidomide (Jaccard=0.20) sodium_lauryl_sulfate osteoarthritis GAP_HIGH 0.162 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in osteoarthritis cell model. Expected: similar to cyclandelate (Jaccard=0.17) nitisinone crohns_disease GAP_LOW 0.162 0.125 bromodiphenhydramine Low-priority: Computational docking nitisinone vs crohns_disease targets. Cross-check nitisinone pharmacophore against crohns_disease pathway. lercanidipine leprosy GAP_LOW 0.162 0.1111111111111111 phenmetrazine Low-priority: Computational docking lercanidipine vs leprosy targets. Cross-check lercanidipine pharmacophore against leprosy pathway. acetic_acid hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking acetic_acid vs hypothyroidism targets. Cross-check acetic_acid pharmacophore against hypothyroidism pathway. aminocaproic_acid hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking aminocaproic_acid vs hypothyroidism targets. Cross-check aminocaproic_acid pharmacophore against hypothyroidism pathway. benzthiazide hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking benzthiazide vs hypothyroidism targets. Cross-check benzthiazide pharmacophore against hypothyroidism pathway. esmolol hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking esmolol vs hypothyroidism targets. Cross-check esmolol pharmacophore against hypothyroidism pathway. methocarbamol hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking methocarbamol vs hypothyroidism targets. Cross-check methocarbamol pharmacophore against hypothyroidism pathway. quinestrol hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking quinestrol vs hypothyroidism targets. Cross-check quinestrol pharmacophore against hypothyroidism pathway. streptozocin hypothyroidism GAP_LOW 0.162 0.0 methimazole Low-priority: Computational docking streptozocin vs hypothyroidism targets. Cross-check streptozocin pharmacophore against hypothyroidism pathway. oxaprozin osteoarthritis GAP_HIGH 0.1619 0.6153846153846154 fenbufen High-priority: Binding assay oxaprozin→?; validate in osteoarthritis cell model. Expected: similar to fenbufen (Jaccard=0.62) bepridil chronic_kidney_failure GAP_HIGH 0.1619 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.50) diethylstilbestrol chronic_kidney_failure GAP_HIGH 0.1619 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in chronic_kidney_failure cell model. Expected: similar to toremifene (Jaccard=0.50) cortisone_acetate crohns_disease GAP_HIGH 0.1619 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in crohns_disease cell model. Expected: similar to medrysone (Jaccard=0.46) levorphanol thyroid_cancer GAP_HIGH 0.1619 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in thyroid_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) quinethazone colon_cancer GAP_HIGH 0.1619 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in colon_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) benazepril testicular_cancer GAP_HIGH 0.1619 0.25 sirolimus High-priority: Binding assay benazepril→?; validate in testicular_cancer cell model. Expected: similar to sirolimus (Jaccard=0.25) cilazapril ovarian_cancer GAP_HIGH 0.1619 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in ovarian_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril uterine_cancer GAP_HIGH 0.1619 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in uterine_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) nilvadipine migraine GAP_HIGH 0.1619 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in migraine cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat attention_deficit_hyperactivity_disorder GAP_HIGH 0.1619 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to aripiprazole (Jaccard=0.25) dinoprostone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1619 0.2222222222222222 epinephrine High-priority: Binding assay dinoprostone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.22) lubiprostone duodenum_cancer GAP_LOW 0.1619 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs duodenum_cancer targets. Cross-check lubiprostone pharmacophore against duodenum_cancer pathway. lubiprostone gallbladder_cancer GAP_LOW 0.1619 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs gallbladder_cancer targets. Cross-check lubiprostone pharmacophore against gallbladder_cancer pathway. lubiprostone melanoma GAP_LOW 0.1619 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs melanoma targets. Cross-check lubiprostone pharmacophore against melanoma pathway. diethylstilbestrol systemic_scleroderma GAP_HIGH 0.1618 0.5454545454545454 diphemanil_methylsulfate High-priority: Binding assay diethylstilbestrol→?; validate in systemic_scleroderma cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.55) allylestrenol crohns_disease GAP_HIGH 0.1618 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in crohns_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.33) quinethazone stomach_cancer GAP_HIGH 0.1618 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) amodiaquine sarcoma GAP_HIGH 0.1618 0.2727272727272727 phenytoin High-priority: Binding assay amodiaquine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.27) prazepam membranous_glomerulonephritis GAP_HIGH 0.1618 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.26) nicardipine restless_legs_syndrome GAP_HIGH 0.1618 0.25 ezetimibe High-priority: Binding assay nicardipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) caffeine vulva_cancer GAP_HIGH 0.1618 0.2222222222222222 loratadine High-priority: Binding assay caffeine→?; validate in vulva_cancer cell model. Expected: similar to loratadine (Jaccard=0.22) primidone melanoma GAP_HIGH 0.1618 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in melanoma cell model. Expected: similar to pantoprazole (Jaccard=0.20) carboprost_tromethamine alopecia_areata GAP_HIGH 0.1618 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.15) alpha-linolenic_acid restless_legs_syndrome GAP_LOW 0.1618 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs restless_legs_syndrome targets. Cross-check alpha-linolenic_acid pharmacophore against restless_legs_syndrome pathway. dextropropoxyphene gestational_diabetes GAP_LOW 0.1618 0.1 glimepiride Low-priority: Computational docking dextropropoxyphene vs gestational_diabetes targets. Cross-check dextropropoxyphene pharmacophore against gestational_diabetes pathway. atomoxetine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1617 0.6 phenprocoumon High-priority: Binding assay atomoxetine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phenprocoumon (Jaccard=0.60) dydrogesterone pharynx_cancer GAP_HIGH 0.1617 0.47058823529411764 medrysone High-priority: Binding assay dydrogesterone→?; validate in pharynx_cancer cell model. Expected: similar to medrysone (Jaccard=0.47) afatinib stomach_cancer GAP_HIGH 0.1617 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in stomach_cancer cell model. Expected: similar to erlotinib (Jaccard=0.47) probenecid colon_cancer GAP_HIGH 0.1617 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.45) diphemanil_methylsulfate membranous_glomerulonephritis GAP_HIGH 0.1617 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to dimetacrine (Jaccard=0.44) benzocaine rectum_cancer GAP_HIGH 0.1617 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in rectum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) doxylamine esophageal_cancer GAP_HIGH 0.1617 0.3333333333333333 tamoxifen High-priority: Binding assay doxylamine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) quinethazone pancreatic_cancer GAP_HIGH 0.1617 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone ulcerative_colitis GAP_HIGH 0.1617 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.31) ibuprofen amyotrophic_lateral_sclerosis GAP_HIGH 0.1617 0.2857142857142857 rasagiline High-priority: Binding assay ibuprofen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.29) l-carnitine skin_cancer GAP_HIGH 0.1617 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in skin_cancer cell model. Expected: similar to alcaftadine (Jaccard=0.27) ritodrine kidney_cancer GAP_HIGH 0.1617 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) cilazapril systemic_lupus_erythematosus GAP_HIGH 0.1617 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to irinotecan (Jaccard=0.25) nelarabine osteoarthritis GAP_HIGH 0.1617 0.21052631578947367 vidarabine High-priority: Binding assay nelarabine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.21) linaclotide atopic_dermatitis GAP_HIGH 0.1617 0.15384615384615385 zafirlukast High-priority: Binding assay linaclotide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.15) alpha-linolenic_acid vitiligo GAP_LOW 0.1617 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs vitiligo targets. Cross-check alpha-linolenic_acid pharmacophore against vitiligo pathway. zuclopenthixol narcolepsy GAP_HIGH 0.1616 0.6 perphenazine High-priority: Binding assay zuclopenthixol→?; validate in narcolepsy cell model. Expected: similar to perphenazine (Jaccard=0.60) loxapine metabolic_syndrome_x GAP_HIGH 0.1616 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clomipramine (Jaccard=0.58) clobazam hematologic_cancer GAP_HIGH 0.1616 0.4444444444444444 flurbiprofen High-priority: Binding assay clobazam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.44) tolazoline ovarian_cancer GAP_HIGH 0.1616 0.3333333333333333 phenylpropanolamine High-priority: Binding assay tolazoline→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) quinethazone osteoporosis GAP_HIGH 0.1616 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone ovarian_cancer GAP_HIGH 0.1616 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in ovarian_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone psoriasis GAP_HIGH 0.1616 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in psoriasis cell model. Expected: similar to etoricoxib (Jaccard=0.31) quinethazone uterine_cancer GAP_HIGH 0.1616 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) doxapram vulva_cancer GAP_HIGH 0.1616 0.3 tamoxifen High-priority: Binding assay doxapram→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) arformoterol esophageal_cancer GAP_HIGH 0.1616 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) l-carnitine vulva_cancer GAP_HIGH 0.1616 0.2727272727272727 loratadine High-priority: Binding assay l-carnitine→?; validate in vulva_cancer cell model. Expected: similar to loratadine (Jaccard=0.27) ritodrine nephrolithiasis GAP_HIGH 0.1616 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in nephrolithiasis cell model. Expected: similar to etoricoxib (Jaccard=0.27) cytarabine penile_cancer GAP_HIGH 0.1616 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in penile_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) tolazamide duodenum_cancer GAP_HIGH 0.1616 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide gallbladder_cancer GAP_HIGH 0.1616 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide melanoma GAP_HIGH 0.1616 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat asthma GAP_HIGH 0.1616 0.25 haloperidol High-priority: Binding assay vorinostat→?; validate in asthma cell model. Expected: similar to haloperidol (Jaccard=0.25) vorinostat atopic_dermatitis GAP_HIGH 0.1616 0.25 haloperidol High-priority: Binding assay vorinostat→?; validate in atopic_dermatitis cell model. Expected: similar to haloperidol (Jaccard=0.25) vorinostat breast_cancer GAP_HIGH 0.1616 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in breast_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat colon_cancer GAP_HIGH 0.1616 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in colon_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) caffeine vascular_cancer GAP_HIGH 0.1616 0.2222222222222222 loratadine High-priority: Binding assay caffeine→?; validate in vascular_cancer cell model. Expected: similar to loratadine (Jaccard=0.22) pentobarbital sclerosing_cholangitis GAP_HIGH 0.1616 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) sodium_lauryl_sulfate systemic_scleroderma GAP_HIGH 0.1616 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in systemic_scleroderma cell model. Expected: similar to cyclandelate (Jaccard=0.17) lubiprostone sclerosing_cholangitis GAP_LOW 0.1616 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs sclerosing_cholangitis targets. Cross-check lubiprostone pharmacophore against sclerosing_cholangitis pathway. anisindione barretts_esophagus GAP_LOW 0.1616 0.0 pantoprazole Low-priority: Computational docking anisindione vs barretts_esophagus targets. Cross-check anisindione pharmacophore against barretts_esophagus pathway. dimetindene barretts_esophagus GAP_LOW 0.1616 0.0 pantoprazole Low-priority: Computational docking dimetindene vs barretts_esophagus targets. Cross-check dimetindene pharmacophore against barretts_esophagus pathway. methyclothiazide barretts_esophagus GAP_LOW 0.1616 0.0 pantoprazole Low-priority: Computational docking methyclothiazide vs barretts_esophagus targets. Cross-check methyclothiazide pharmacophore against barretts_esophagus pathway. orphenadrine barretts_esophagus GAP_LOW 0.1616 0.0 pantoprazole Low-priority: Computational docking orphenadrine vs barretts_esophagus targets. Cross-check orphenadrine pharmacophore against barretts_esophagus pathway. clonazepam stomach_cancer GAP_HIGH 0.1615 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) megestrol_acetate sclerosing_cholangitis GAP_HIGH 0.1615 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in sclerosing_cholangitis cell model. Expected: similar to dydrogesterone (Jaccard=0.50) afatinib ulcerative_colitis GAP_HIGH 0.1615 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in ulcerative_colitis cell model. Expected: similar to erlotinib (Jaccard=0.47) levorphanol muscle_cancer GAP_HIGH 0.1615 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in muscle_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.46) probenecid psoriasis GAP_HIGH 0.1615 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) probenecid ulcerative_colitis GAP_HIGH 0.1615 0.45454545454545453 sulfanilamide High-priority: Binding assay probenecid→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.45) tripelennamine breast_cancer GAP_HIGH 0.1615 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in breast_cancer cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) tripelennamine colon_cancer GAP_HIGH 0.1615 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in colon_cancer cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) sulfamethizole primary_biliary_cirrhosis GAP_HIGH 0.1615 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sulfapyridine (Jaccard=0.40) antipyrine duodenum_cancer GAP_HIGH 0.1615 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) antipyrine gallbladder_cancer GAP_HIGH 0.1615 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) allylestrenol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1615 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dydrogesterone (Jaccard=0.33) benzocaine alzheimers_disease GAP_HIGH 0.1615 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in alzheimers_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine autistic_disorder GAP_HIGH 0.1615 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in autistic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine nicotine_dependence GAP_HIGH 0.1615 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in nicotine_dependence cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine parkinsons_disease GAP_HIGH 0.1615 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in parkinsons_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) norepinephrine duodenum_cancer GAP_HIGH 0.1615 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine gallbladder_cancer GAP_HIGH 0.1615 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) moexipril narcolepsy GAP_HIGH 0.1615 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.30) l-carnitine vascular_cancer GAP_HIGH 0.1615 0.2727272727272727 loratadine High-priority: Binding assay l-carnitine→?; validate in vascular_cancer cell model. Expected: similar to loratadine (Jaccard=0.27) epinephrine lymphatic_system_cancer GAP_HIGH 0.1615 0.2608695652173913 glucosamine High-priority: Binding assay epinephrine→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.26) carvedilol kidney_cancer GAP_HIGH 0.1615 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) etidronic_acid panic_disorder GAP_HIGH 0.1615 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in panic_disorder cell model. Expected: similar to gabapentin (Jaccard=0.25) etidronic_acid schizophrenia GAP_HIGH 0.1615 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in schizophrenia cell model. Expected: similar to gabapentin (Jaccard=0.25) vorinostat allergic_rhinitis GAP_HIGH 0.1615 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in allergic_rhinitis cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat hypertension GAP_HIGH 0.1615 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in hypertension cell model. Expected: similar to aripiprazole (Jaccard=0.25) phenindione leprosy GAP_HIGH 0.1615 0.24390243902439024 phensuximide High-priority: Binding assay phenindione→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.24) caffeine mediastinal_cancer GAP_HIGH 0.1615 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine primary_biliary_cirrhosis GAP_HIGH 0.1615 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.20) methsuximide alcohol_dependence GAP_HIGH 0.1615 0.18604651162790697 mazindol High-priority: Binding assay methsuximide→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.19) sodium_lauryl_sulfate uterine_fibroid GAP_HIGH 0.1615 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in uterine_fibroid cell model. Expected: similar to cyclandelate (Jaccard=0.17) alpha-linolenic_acid rheumatoid_arthritis GAP_LOW 0.1615 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs rheumatoid_arthritis targets. Cross-check alpha-linolenic_acid pharmacophore against rheumatoid_arthritis pathway. nitisinone type_1_diabetes_mellitus GAP_LOW 0.1615 0.1111111111111111 benzatropine Low-priority: Computational docking nitisinone vs type_1_diabetes_mellitus targets. Cross-check nitisinone pharmacophore against type_1_diabetes_mellitus pathway. clonazepam pancreatic_cancer GAP_HIGH 0.1614 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) suprofen autistic_disorder GAP_HIGH 0.1614 0.5 naproxen High-priority: Binding assay suprofen→?; validate in autistic_disorder cell model. Expected: similar to naproxen (Jaccard=0.50) phenoxybenzamine type_1_diabetes_mellitus GAP_HIGH 0.1614 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.42) antazoline gilles_de_la_tourette_syndrome GAP_HIGH 0.1614 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.38) alvimopan chronic_obstructive_pulmonary_disease GAP_HIGH 0.1614 0.375 imipramine High-priority: Binding assay alvimopan→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to imipramine (Jaccard=0.38) enalapril hepatitis_b GAP_HIGH 0.1614 0.35714285714285715 trandolapril High-priority: Binding assay enalapril→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.36) benzocaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1614 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) orciprenaline celiac_disease GAP_HIGH 0.1614 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.33) ritodrine celiac_disease GAP_HIGH 0.1614 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol nephrolithiasis GAP_HIGH 0.1614 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in nephrolithiasis cell model. Expected: similar to docetaxel (Jaccard=0.25) choline esophageal_cancer GAP_HIGH 0.1614 0.25 vincristine High-priority: Binding assay choline→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) cilazapril skin_cancer GAP_HIGH 0.1614 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in skin_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) etidronic_acid conduct_disorder GAP_HIGH 0.1614 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in conduct_disorder cell model. Expected: similar to gabapentin (Jaccard=0.25) vorinostat pancreatic_cancer GAP_HIGH 0.1614 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in pancreatic_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat ulcerative_colitis GAP_HIGH 0.1614 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in ulcerative_colitis cell model. Expected: similar to aripiprazole (Jaccard=0.25) dinoprostone coronary_artery_disease GAP_HIGH 0.1614 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.22) clenbuterol germ_cell_cancer GAP_HIGH 0.1614 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) caffeine thymus_cancer GAP_HIGH 0.1614 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) flutamide germ_cell_cancer GAP_HIGH 0.1614 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in germ_cell_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) primidone sclerosing_cholangitis GAP_HIGH 0.1614 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in sclerosing_cholangitis cell model. Expected: similar to pantoprazole (Jaccard=0.20) lubiprostone type_1_diabetes_mellitus GAP_LOW 0.1614 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs type_1_diabetes_mellitus targets. Cross-check lubiprostone pharmacophore against type_1_diabetes_mellitus pathway. mefenamic_acid pharynx_cancer GAP_HIGH 0.1613 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) clonazepam ulcerative_colitis GAP_HIGH 0.1613 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.50) phenindamine coronary_artery_disease GAP_HIGH 0.1613 0.4 indecainide High-priority: Binding assay phenindamine→?; validate in coronary_artery_disease cell model. Expected: similar to indecainide (Jaccard=0.40) selegiline hematologic_cancer GAP_HIGH 0.1613 0.4 phenformin High-priority: Binding assay selegiline→?; validate in hematologic_cancer cell model. Expected: similar to phenformin (Jaccard=0.40) ponatinib thyroid_cancer GAP_HIGH 0.1613 0.39473684210526316 imatinib High-priority: Binding assay ponatinib→?; validate in thyroid_cancer cell model. Expected: similar to imatinib (Jaccard=0.39) benzocaine peripheral_nervous_system_neoplasm GAP_HIGH 0.1613 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.33) doxylamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1613 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.33) norelgestromin crohns_disease GAP_HIGH 0.1613 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in crohns_disease cell model. Expected: similar to betamethasone (Jaccard=0.33) quinethazone systemic_lupus_erythematosus GAP_HIGH 0.1613 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to etoricoxib (Jaccard=0.31) metaraminol epilepsy_syndrome GAP_HIGH 0.1613 0.2857142857142857 doxapram High-priority: Binding assay metaraminol→?; validate in epilepsy_syndrome cell model. Expected: similar to doxapram (Jaccard=0.29) cilazapril testicular_cancer GAP_HIGH 0.1613 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in testicular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril vaginal_cancer GAP_HIGH 0.1613 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in vaginal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) cilazapril vulva_cancer GAP_HIGH 0.1613 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in vulva_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) tolazamide sclerosing_cholangitis GAP_HIGH 0.1613 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat multiple_sclerosis GAP_HIGH 0.1613 0.25 haloperidol High-priority: Binding assay vorinostat→?; validate in multiple_sclerosis cell model. Expected: similar to haloperidol (Jaccard=0.25) vorinostat ovarian_cancer GAP_HIGH 0.1613 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in ovarian_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat psoriasis GAP_HIGH 0.1613 0.25 haloperidol High-priority: Binding assay vorinostat→?; validate in psoriasis cell model. Expected: similar to haloperidol (Jaccard=0.25) caffeine uterine_fibroid GAP_HIGH 0.1613 0.2222222222222222 loratadine High-priority: Binding assay caffeine→?; validate in uterine_fibroid cell model. Expected: similar to loratadine (Jaccard=0.22) irbesartan larynx_cancer GAP_HIGH 0.1613 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in larynx_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) prazepam leprosy GAP_LOW 0.1613 0.14285714285714285 phensuximide Low-priority: Computational docking prazepam vs leprosy targets. Cross-check prazepam pharmacophore against leprosy pathway. sodium_lauryl_sulfate head_and_neck_cancer GAP_LOW 0.1613 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs head_and_neck_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against head_and_neck_cancer pathway. sodium_lauryl_sulfate malignant_glioma GAP_LOW 0.1613 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs malignant_glioma targets. Cross-check sodium_lauryl_sulfate pharmacophore against malignant_glioma pathway. amlodipine leprosy GAP_LOW 0.1613 0.1111111111111111 phenmetrazine Low-priority: Computational docking amlodipine vs leprosy targets. Cross-check amlodipine pharmacophore against leprosy pathway. clonazepam uterine_cancer GAP_HIGH 0.1612 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) afatinib systemic_lupus_erythematosus GAP_HIGH 0.1612 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to erlotinib (Jaccard=0.47) cortisone_acetate primary_biliary_cirrhosis GAP_HIGH 0.1612 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to medrysone (Jaccard=0.46) tripelennamine ovarian_cancer GAP_HIGH 0.1612 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in ovarian_cancer cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) benzocaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1612 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) norepinephrine creutzfeldt-jakob_disease GAP_HIGH 0.1612 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.33) epinephrine celiac_disease GAP_HIGH 0.1612 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) l-carnitine uterine_fibroid GAP_HIGH 0.1612 0.2727272727272727 loratadine High-priority: Binding assay l-carnitine→?; validate in uterine_fibroid cell model. Expected: similar to loratadine (Jaccard=0.27) cilazapril vascular_cancer GAP_HIGH 0.1612 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in vascular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) etidronic_acid endogenous_depression GAP_HIGH 0.1612 0.25 gabapentin High-priority: Binding assay etidronic_acid→?; validate in endogenous_depression cell model. Expected: similar to gabapentin (Jaccard=0.25) l-carnitine crohns_disease GAP_HIGH 0.1612 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in crohns_disease cell model. Expected: similar to raloxifene (Jaccard=0.25) vorinostat migraine GAP_HIGH 0.1612 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in migraine cell model. Expected: similar to aripiprazole (Jaccard=0.25) esmolol gestational_diabetes GAP_HIGH 0.1612 0.15384615384615385 gliquidone High-priority: Binding assay esmolol→?; validate in gestational_diabetes cell model. Expected: similar to gliquidone (Jaccard=0.15) alpha-linolenic_acid psoriatic_arthritis GAP_LOW 0.1612 0.14285714285714285 mepyramine Low-priority: Computational docking alpha-linolenic_acid vs psoriatic_arthritis targets. Cross-check alpha-linolenic_acid pharmacophore against psoriatic_arthritis pathway. sodium_lauryl_sulfate kidney_cancer GAP_LOW 0.1612 0.125 benzocaine Low-priority: Computational docking sodium_lauryl_sulfate vs kidney_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against kidney_cancer pathway. alpha-linolenic_acid type_1_diabetes_mellitus GAP_LOW 0.1612 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs type_1_diabetes_mellitus targets. Cross-check alpha-linolenic_acid pharmacophore against type_1_diabetes_mellitus pathway. hydrocortisone asthma GAP_HIGH 0.1611 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in asthma cell model. Expected: similar to testolactone (Jaccard=0.64) naproxen celiac_disease GAP_HIGH 0.1611 0.5 suprofen High-priority: Binding assay naproxen→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.50) dydrogesterone salivary_gland_cancer GAP_HIGH 0.1611 0.47058823529411764 medrysone High-priority: Binding assay dydrogesterone→?; validate in salivary_gland_cancer cell model. Expected: similar to medrysone (Jaccard=0.47) quinethazone osteoarthritis GAP_HIGH 0.1611 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in osteoarthritis cell model. Expected: similar to etoricoxib (Jaccard=0.31) pentostatin germ_cell_cancer GAP_HIGH 0.1611 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) primidone pharynx_cancer GAP_HIGH 0.1611 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in pharynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) sodium_lauryl_sulfate vitiligo GAP_HIGH 0.1611 0.16666666666666666 cyclandelate High-priority: Binding assay sodium_lauryl_sulfate→?; validate in vitiligo cell model. Expected: similar to cyclandelate (Jaccard=0.17) lubiprostone ankylosing_spondylitis GAP_LOW 0.1611 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs ankylosing_spondylitis targets. Cross-check lubiprostone pharmacophore against ankylosing_spondylitis pathway. dextrothyroxine pancreatitis GAP_LOW 0.1611 0.125 dienestrol Low-priority: Computational docking dextrothyroxine vs pancreatitis targets. Cross-check dextrothyroxine pharmacophore against pancreatitis pathway. nitisinone coronary_artery_disease GAP_LOW 0.1611 0.125 bromodiphenhydramine Low-priority: Computational docking nitisinone vs coronary_artery_disease targets. Cross-check nitisinone pharmacophore against coronary_artery_disease pathway. sodium_lauryl_sulfate nephrolithiasis GAP_LOW 0.1611 0.125 benzocaine Low-priority: Computational docking sodium_lauryl_sulfate vs nephrolithiasis targets. Cross-check sodium_lauryl_sulfate pharmacophore against nephrolithiasis pathway. hydrocortisone atopic_dermatitis GAP_HIGH 0.161 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in atopic_dermatitis cell model. Expected: similar to testolactone (Jaccard=0.64) mefenamic_acid thyroid_cancer GAP_HIGH 0.161 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) cortisone_acetate coronary_artery_disease GAP_HIGH 0.161 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in coronary_artery_disease cell model. Expected: similar to medrysone (Jaccard=0.46) levorphanol peripheral_nervous_system_neoplasm GAP_HIGH 0.161 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to fulvestrant (Jaccard=0.46) mestranol intracranial_aneurysm GAP_HIGH 0.161 0.4 estrone High-priority: Binding assay mestranol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.40) sulfaphenazole coronary_artery_disease GAP_HIGH 0.161 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in coronary_artery_disease cell model. Expected: similar to olsalazine (Jaccard=0.38) allylestrenol coronary_artery_disease GAP_HIGH 0.161 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in coronary_artery_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.33) cyproterone_acetate esophageal_cancer GAP_HIGH 0.161 0.3333333333333333 fludrocortisone High-priority: Binding assay cyproterone_acetate→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.33) nilotinib celiac_disease GAP_HIGH 0.161 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.33) quinethazone testicular_cancer GAP_HIGH 0.161 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in testicular_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.31) mephentermine ocular_cancer GAP_HIGH 0.161 0.2727272727272727 phenylpropanolamine High-priority: Binding assay mephentermine→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) lercanidipine creutzfeldt-jakob_disease GAP_HIGH 0.161 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat systemic_lupus_erythematosus GAP_HIGH 0.161 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vincristine (Jaccard=0.25) nitisinone alcohol_dependence GAP_LOW 0.161 0.07142857142857142 levorphanol Low-priority: Computational docking nitisinone vs alcohol_dependence targets. Cross-check nitisinone pharmacophore against alcohol_dependence pathway. alpha-linolenic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.161 0.058823529411764705 lisinopril Low-priority: Computational docking alpha-linolenic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check alpha-linolenic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. dronedarone alcohol_dependence GAP_LOW 0.161 0.058823529411764705 levorphanol Low-priority: Computational docking dronedarone vs alcohol_dependence targets. Cross-check dronedarone pharmacophore against alcohol_dependence pathway. hydrocortisone allergic_rhinitis GAP_HIGH 0.1609 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in allergic_rhinitis cell model. Expected: similar to testolactone (Jaccard=0.64) sulfaphenazole hematologic_cancer GAP_HIGH 0.1609 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in hematologic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.38) antipyrine membranous_glomerulonephritis GAP_HIGH 0.1609 0.35714285714285715 chlorpromazine High-priority: Binding assay antipyrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorpromazine (Jaccard=0.36) benzocaine asthma GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in asthma cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine atopic_dermatitis GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in atopic_dermatitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine colon_cancer GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in colon_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine conduct_disorder GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in conduct_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine panic_disorder GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in panic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine schizophrenia GAP_HIGH 0.1609 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in schizophrenia cell model. Expected: similar to cyclandelate (Jaccard=0.33) cyproheptadine glaucoma GAP_HIGH 0.1609 0.3333333333333333 tafluprost High-priority: Binding assay cyproheptadine→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.33) norepinephrine pharynx_cancer GAP_HIGH 0.1609 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in pharynx_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) l-carnitine restless_legs_syndrome GAP_HIGH 0.1609 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in restless_legs_syndrome cell model. Expected: similar to alcaftadine (Jaccard=0.27) cilazapril uterine_fibroid GAP_HIGH 0.1609 0.25 irinotecan High-priority: Binding assay cilazapril→?; validate in uterine_fibroid cell model. Expected: similar to irinotecan (Jaccard=0.25) vorinostat metabolic_syndrome_x GAP_HIGH 0.1609 0.25 cholecalciferol High-priority: Binding assay vorinostat→?; validate in metabolic_syndrome_x cell model. Expected: similar to cholecalciferol (Jaccard=0.25) primidone ankylosing_spondylitis GAP_HIGH 0.1609 0.2 ethotoin High-priority: Binding assay primidone→?; validate in ankylosing_spondylitis cell model. Expected: similar to ethotoin (Jaccard=0.20) dronedarone gilles_de_la_tourette_syndrome GAP_LOW 0.1609 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs gilles_de_la_tourette_syndrome targets. Cross-check dronedarone pharmacophore against gilles_de_la_tourette_syndrome pathway. lubiprostone chronic_obstructive_pulmonary_disease GAP_LOW 0.1609 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs chronic_obstructive_pulmonary_disease targets. Cross-check lubiprostone pharmacophore against chronic_obstructive_pulmonary_disease pathway. hydrocortisone psoriasis GAP_HIGH 0.1608 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in psoriasis cell model. Expected: similar to testolactone (Jaccard=0.64) hydrocortisone ulcerative_colitis GAP_HIGH 0.1608 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in ulcerative_colitis cell model. Expected: similar to testolactone (Jaccard=0.64) oxaprozin rheumatoid_arthritis GAP_HIGH 0.1608 0.6153846153846154 fenbufen High-priority: Binding assay oxaprozin→?; validate in rheumatoid_arthritis cell model. Expected: similar to fenbufen (Jaccard=0.62) suprofen breast_cancer GAP_HIGH 0.1608 0.5 naproxen High-priority: Binding assay suprofen→?; validate in breast_cancer cell model. Expected: similar to naproxen (Jaccard=0.50) tripelennamine skin_cancer GAP_HIGH 0.1608 0.4444444444444444 bromodiphenhydramine High-priority: Binding assay tripelennamine→?; validate in skin_cancer cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.44) benzocaine allergic_rhinitis GAP_HIGH 0.1608 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in allergic_rhinitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine bipolar_disorder GAP_HIGH 0.1608 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in bipolar_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) ibuprofen multiple_sclerosis GAP_HIGH 0.1608 0.2857142857142857 rasagiline High-priority: Binding assay ibuprofen→?; validate in multiple_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.29) l-carnitine vitiligo GAP_HIGH 0.1608 0.2727272727272727 alcaftadine High-priority: Binding assay l-carnitine→?; validate in vitiligo cell model. Expected: similar to alcaftadine (Jaccard=0.27) cytarabine meningioma GAP_HIGH 0.1608 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in meningioma cell model. Expected: similar to gemcitabine (Jaccard=0.25) quinestrol coronary_artery_disease GAP_HIGH 0.1608 0.25 testosterone_propionate High-priority: Binding assay quinestrol→?; validate in coronary_artery_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.25) tolazamide ankylosing_spondylitis GAP_HIGH 0.1608 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat osteoarthritis GAP_HIGH 0.1608 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in osteoarthritis cell model. Expected: similar to aripiprazole (Jaccard=0.25) papaverine penile_cancer GAP_HIGH 0.1608 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in penile_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) clenbuterol penile_cancer GAP_HIGH 0.1608 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) flutamide penile_cancer GAP_HIGH 0.1608 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in penile_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) primidone thyroid_cancer GAP_HIGH 0.1608 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in thyroid_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril germ_cell_cancer GAP_HIGH 0.1608 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) methacholine kidney_cancer GAP_LOW 0.1608 0.125 epirubicin Low-priority: Computational docking methacholine vs kidney_cancer targets. Cross-check methacholine pharmacophore against kidney_cancer pathway. losartan leprosy GAP_LOW 0.1608 0.08333333333333333 sulfamethizole Low-priority: Computational docking losartan vs leprosy targets. Cross-check losartan pharmacophore against leprosy pathway. mefenamic_acid salivary_gland_cancer GAP_HIGH 0.1607 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) clozapine focal_segmental_glomerulosclerosis GAP_HIGH 0.1607 0.5 chlorthalidone High-priority: Binding assay clozapine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.50) orphenadrine gilles_de_la_tourette_syndrome GAP_HIGH 0.1607 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.40) benzocaine endogenous_depression GAP_HIGH 0.1607 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in endogenous_depression cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine ulcerative_colitis GAP_HIGH 0.1607 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in ulcerative_colitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) norelgestromin primary_biliary_cirrhosis GAP_HIGH 0.1607 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to betamethasone (Jaccard=0.33) quinethazone systemic_scleroderma GAP_HIGH 0.1607 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in systemic_scleroderma cell model. Expected: similar to etoricoxib (Jaccard=0.31) l-arginine lung_cancer GAP_HIGH 0.1607 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in lung_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.27) losartan coronary_artery_disease GAP_HIGH 0.1607 0.25 moexipril High-priority: Binding assay losartan→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.25) pentobarbital pancreatitis GAP_HIGH 0.1607 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in pancreatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) vitamin_c creutzfeldt-jakob_disease GAP_LOW 0.1607 0.14285714285714285 desipramine Low-priority: Computational docking vitamin_c vs creutzfeldt-jakob_disease targets. Cross-check vitamin_c pharmacophore against creutzfeldt-jakob_disease pathway. estriol alcohol_dependence GAP_LOW 0.1607 0.125 naloxone Low-priority: Computational docking estriol vs alcohol_dependence targets. Cross-check estriol pharmacophore against alcohol_dependence pathway. methacholine nephrolithiasis GAP_LOW 0.1607 0.125 epirubicin Low-priority: Computational docking methacholine vs nephrolithiasis targets. Cross-check methacholine pharmacophore against nephrolithiasis pathway. dextrothyroxine type_1_diabetes_mellitus GAP_LOW 0.1607 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs type_1_diabetes_mellitus targets. Cross-check dextrothyroxine pharmacophore against type_1_diabetes_mellitus pathway. baclofen pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking baclofen vs pagets_disease_of_bone targets. Cross-check baclofen pharmacophore against pagets_disease_of_bone pathway. benazepril pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking benazepril vs pagets_disease_of_bone targets. Cross-check benazepril pharmacophore against pagets_disease_of_bone pathway. candesartan pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking candesartan vs pagets_disease_of_bone targets. Cross-check candesartan pharmacophore against pagets_disease_of_bone pathway. captopril pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking captopril vs pagets_disease_of_bone targets. Cross-check captopril pharmacophore against pagets_disease_of_bone pathway. carprofen pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking carprofen vs pagets_disease_of_bone targets. Cross-check carprofen pharmacophore against pagets_disease_of_bone pathway. carvedilol pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking carvedilol vs pagets_disease_of_bone targets. Cross-check carvedilol pharmacophore against pagets_disease_of_bone pathway. cilazapril pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking cilazapril vs pagets_disease_of_bone targets. Cross-check cilazapril pharmacophore against pagets_disease_of_bone pathway. cyproheptadine barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking cyproheptadine vs barretts_esophagus targets. Cross-check cyproheptadine pharmacophore against barretts_esophagus pathway. dextropropoxyphene pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking dextropropoxyphene vs pagets_disease_of_bone targets. Cross-check dextropropoxyphene pharmacophore against pagets_disease_of_bone pathway. difenoxin barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking difenoxin vs barretts_esophagus targets. Cross-check difenoxin pharmacophore against barretts_esophagus pathway. disopyramide barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking disopyramide vs barretts_esophagus targets. Cross-check disopyramide pharmacophore against barretts_esophagus pathway. drostanolone barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking drostanolone vs barretts_esophagus targets. Cross-check drostanolone pharmacophore against barretts_esophagus pathway. estriol pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking estriol vs pagets_disease_of_bone targets. Cross-check estriol pharmacophore against pagets_disease_of_bone pathway. estropipate pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking estropipate vs pagets_disease_of_bone targets. Cross-check estropipate pharmacophore against pagets_disease_of_bone pathway. flutamide pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking flutamide vs pagets_disease_of_bone targets. Cross-check flutamide pharmacophore against pagets_disease_of_bone pathway. glimepiride pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking glimepiride vs pagets_disease_of_bone targets. Cross-check glimepiride pharmacophore against pagets_disease_of_bone pathway. glipizide pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking glipizide vs pagets_disease_of_bone targets. Cross-check glipizide pharmacophore against pagets_disease_of_bone pathway. isocarboxazid barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking isocarboxazid vs barretts_esophagus targets. Cross-check isocarboxazid pharmacophore against barretts_esophagus pathway. labetalol pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking labetalol vs pagets_disease_of_bone targets. Cross-check labetalol pharmacophore against pagets_disease_of_bone pathway. mannitol pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking mannitol vs pagets_disease_of_bone targets. Cross-check mannitol pharmacophore against pagets_disease_of_bone pathway. nicardipine pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking nicardipine vs pagets_disease_of_bone targets. Cross-check nicardipine pharmacophore against pagets_disease_of_bone pathway. nilvadipine pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking nilvadipine vs pagets_disease_of_bone targets. Cross-check nilvadipine pharmacophore against pagets_disease_of_bone pathway. nitisinone pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking nitisinone vs pagets_disease_of_bone targets. Cross-check nitisinone pharmacophore against pagets_disease_of_bone pathway. olmesartan pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking olmesartan vs pagets_disease_of_bone targets. Cross-check olmesartan pharmacophore against pagets_disease_of_bone pathway. oxazepam barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking oxazepam vs barretts_esophagus targets. Cross-check oxazepam pharmacophore against barretts_esophagus pathway. pentostatin barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking pentostatin vs barretts_esophagus targets. Cross-check pentostatin pharmacophore against barretts_esophagus pathway. phenmetrazine barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking phenmetrazine vs barretts_esophagus targets. Cross-check phenmetrazine pharmacophore against barretts_esophagus pathway. pravastatin pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking pravastatin vs pagets_disease_of_bone targets. Cross-check pravastatin pharmacophore against pagets_disease_of_bone pathway. quinapril pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking quinapril vs pagets_disease_of_bone targets. Cross-check quinapril pharmacophore against pagets_disease_of_bone pathway. ranolazine pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking ranolazine vs pagets_disease_of_bone targets. Cross-check ranolazine pharmacophore against pagets_disease_of_bone pathway. solifenacin pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking solifenacin vs pagets_disease_of_bone targets. Cross-check solifenacin pharmacophore against pagets_disease_of_bone pathway. spirapril pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking spirapril vs pagets_disease_of_bone targets. Cross-check spirapril pharmacophore against pagets_disease_of_bone pathway. tauroursodeoxycholic_acid pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking tauroursodeoxycholic_acid vs pagets_disease_of_bone targets. Cross-check tauroursodeoxycholic_acid pharmacophore against pagets_disease_of_bone pathway. trimethoprim pagets_disease_of_bone GAP_LOW 0.1607 0.0 ibandronate Low-priority: Computational docking trimethoprim vs pagets_disease_of_bone targets. Cross-check trimethoprim pharmacophore against pagets_disease_of_bone pathway. vidarabine barretts_esophagus GAP_LOW 0.1607 0.0 pantoprazole Low-priority: Computational docking vidarabine vs barretts_esophagus targets. Cross-check vidarabine pharmacophore against barretts_esophagus pathway. loxapine type_2_diabetes_mellitus GAP_HIGH 0.1606 0.5769230769230769 clomipramine High-priority: Binding assay loxapine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clomipramine (Jaccard=0.58) clonazepam testicular_cancer GAP_HIGH 0.1606 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) clonazepam vaginal_cancer GAP_HIGH 0.1606 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) clonazepam vulva_cancer GAP_HIGH 0.1606 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.50) benzocaine multiple_sclerosis GAP_HIGH 0.1606 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in multiple_sclerosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine osteoporosis GAP_HIGH 0.1606 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in osteoporosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine ovarian_cancer GAP_HIGH 0.1606 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) benzocaine psoriasis GAP_HIGH 0.1606 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in psoriasis cell model. Expected: similar to cyclandelate (Jaccard=0.33) dipivefrin ankylosing_spondylitis GAP_HIGH 0.1606 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.33) norepinephrine thyroid_cancer GAP_HIGH 0.1606 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine atherosclerosis GAP_HIGH 0.1606 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in atherosclerosis cell model. Expected: similar to droxidopa (Jaccard=0.27) l-carnitine mediastinal_cancer GAP_HIGH 0.1606 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine primary_biliary_cirrhosis GAP_HIGH 0.1606 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.25) nilvadipine restless_legs_syndrome GAP_HIGH 0.1606 0.25 ezetimibe High-priority: Binding assay nilvadipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) clenbuterol malignant_mesothelioma GAP_HIGH 0.1606 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) flutamide malignant_mesothelioma GAP_HIGH 0.1606 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in malignant_mesothelioma cell model. Expected: similar to paclitaxel (Jaccard=0.20) diethylstilbestrol membranous_glomerulonephritis GAP_HIGH 0.1605 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to toremifene (Jaccard=0.50) afatinib systemic_scleroderma GAP_HIGH 0.1605 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in systemic_scleroderma cell model. Expected: similar to erlotinib (Jaccard=0.47) glucosamine membranous_glomerulonephritis GAP_HIGH 0.1605 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clofarabine (Jaccard=0.46) sulfamethizole melanoma GAP_HIGH 0.1605 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in melanoma cell model. Expected: similar to sulfapyridine (Jaccard=0.40) benzocaine migraine GAP_HIGH 0.1605 0.3333333333333333 lamotrigine High-priority: Binding assay benzocaine→?; validate in migraine cell model. Expected: similar to lamotrigine (Jaccard=0.33) conjugated_estrogens brain_cancer GAP_HIGH 0.1605 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in brain_cancer cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens intracranial_aneurysm GAP_HIGH 0.1605 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.33) norelgestromin coronary_artery_disease GAP_HIGH 0.1605 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in coronary_artery_disease cell model. Expected: similar to betamethasone (Jaccard=0.33) norepinephrine epilepsy_syndrome GAP_HIGH 0.1605 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.33) zidovudine lymphatic_system_cancer GAP_HIGH 0.1605 0.3333333333333333 emtricitabine High-priority: Binding assay zidovudine→?; validate in lymphatic_system_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.33) captopril narcolepsy GAP_HIGH 0.1605 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.27) l-arginine liver_cancer GAP_HIGH 0.1605 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in liver_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.27) l-carnitine thymus_cancer GAP_HIGH 0.1605 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) vorinostat obesity GAP_HIGH 0.1605 0.25 metformin High-priority: Binding assay vorinostat→?; validate in obesity cell model. Expected: similar to metformin (Jaccard=0.25) pentostatin penile_cancer GAP_HIGH 0.1605 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in penile_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) primidone pancreatitis GAP_HIGH 0.1605 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in pancreatitis cell model. Expected: similar to pantoprazole (Jaccard=0.20) pentobarbital azoospermia GAP_HIGH 0.1605 0.19230769230769232 chlorpromazine High-priority: Binding assay pentobarbital→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.19) dextropropoxyphene prostate_cancer GAP_HIGH 0.1605 0.18181818181818182 isopropamide High-priority: Binding assay dextropropoxyphene→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.18) olmesartan type_1_diabetes_mellitus GAP_HIGH 0.1605 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tolbutamide (Jaccard=0.18) lubiprostone muscle_cancer GAP_LOW 0.1605 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs muscle_cancer targets. Cross-check lubiprostone pharmacophore against muscle_cancer pathway. methacholine chronic_kidney_failure GAP_LOW 0.1605 0.125 ergocalciferol Low-priority: Computational docking methacholine vs chronic_kidney_failure targets. Cross-check methacholine pharmacophore against chronic_kidney_failure pathway. hydrocortisone systemic_lupus_erythematosus GAP_HIGH 0.1604 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to testolactone (Jaccard=0.64) mefenamic_acid ocular_cancer GAP_HIGH 0.1604 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) loxapine alcohol_dependence GAP_HIGH 0.1604 0.425 mazindol High-priority: Binding assay loxapine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.42) sulfamethizole duodenum_cancer GAP_HIGH 0.1604 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in duodenum_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) sulfamethizole gallbladder_cancer GAP_HIGH 0.1604 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in gallbladder_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) l-phenylalanine crohns_disease GAP_HIGH 0.1604 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in crohns_disease cell model. Expected: similar to lacosamide (Jaccard=0.36) ketazolam crohns_disease GAP_HIGH 0.1604 0.35294117647058826 oxaprozin High-priority: Binding assay ketazolam→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.35) dipivefrin epilepsy_syndrome GAP_HIGH 0.1604 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in epilepsy_syndrome cell model. Expected: similar to mebendazole (Jaccard=0.33) ibuprofen metabolic_syndrome_x GAP_HIGH 0.1604 0.2857142857142857 glyburide High-priority: Binding assay ibuprofen→?; validate in metabolic_syndrome_x cell model. Expected: similar to glyburide (Jaccard=0.29) ibuprofen germ_cell_cancer GAP_HIGH 0.1604 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in germ_cell_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) tolazamide pancreatitis GAP_HIGH 0.1604 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.25) caffeine duodenum_cancer GAP_HIGH 0.1604 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine gallbladder_cancer GAP_HIGH 0.1604 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine melanoma GAP_HIGH 0.1604 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.20) primidone salivary_gland_cancer GAP_HIGH 0.1604 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in salivary_gland_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) labetalol malignant_mesothelioma GAP_HIGH 0.1604 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.18) aminophenazone esophageal_cancer GAP_LOW 0.1604 0.14285714285714285 raloxifene Low-priority: Computational docking aminophenazone vs esophageal_cancer targets. Cross-check aminophenazone pharmacophore against esophageal_cancer pathway. lubiprostone lung_cancer GAP_LOW 0.1604 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs lung_cancer targets. Cross-check lubiprostone pharmacophore against lung_cancer pathway. lubiprostone rectum_cancer GAP_LOW 0.1604 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs rectum_cancer targets. Cross-check lubiprostone pharmacophore against rectum_cancer pathway. dronedarone malaria GAP_LOW 0.1604 0.1111111111111111 primidone Low-priority: Computational docking dronedarone vs malaria targets. Cross-check dronedarone pharmacophore against malaria pathway. quinapril leprosy GAP_LOW 0.1604 0.07692307692307693 pomalidomide Low-priority: Computational docking quinapril vs leprosy targets. Cross-check quinapril pharmacophore against leprosy pathway. chlordiazepoxide gout GAP_HIGH 0.1603 0.5555555555555556 diazepam High-priority: Binding assay chlordiazepoxide→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.56) estradiol germ_cell_cancer GAP_HIGH 0.1603 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.54) diethylstilbestrol germ_cell_cancer GAP_HIGH 0.1603 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) fenbufen prostate_cancer GAP_HIGH 0.1603 0.35 azelastine High-priority: Binding assay fenbufen→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.35) benzocaine systemic_lupus_erythematosus GAP_HIGH 0.1603 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclandelate (Jaccard=0.33) cyproterone_acetate type_1_diabetes_mellitus GAP_HIGH 0.1603 0.3333333333333333 fludrocortisone High-priority: Binding assay cyproterone_acetate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.33) isocarboxazid gout GAP_HIGH 0.1603 0.3333333333333333 acetaminophen High-priority: Binding assay isocarboxazid→?; validate in gout cell model. Expected: similar to acetaminophen (Jaccard=0.33) vorinostat systemic_scleroderma GAP_HIGH 0.1603 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in systemic_scleroderma cell model. Expected: similar to vincristine (Jaccard=0.25) nelarabine psoriatic_arthritis GAP_HIGH 0.1603 0.21052631578947367 vidarabine High-priority: Binding assay nelarabine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.21) primidone muscle_cancer GAP_HIGH 0.1603 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in muscle_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) dinoprost_tromethamine epilepsy_syndrome GAP_HIGH 0.1603 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in epilepsy_syndrome cell model. Expected: similar to pyrimethamine (Jaccard=0.17) candesartan dilated_cardiomyopathy GAP_LOW 0.1603 0.125 milrinone Low-priority: Computational docking candesartan vs dilated_cardiomyopathy targets. Cross-check candesartan pharmacophore against dilated_cardiomyopathy pathway. cilazapril leprosy GAP_LOW 0.1603 0.08333333333333333 pomalidomide Low-priority: Computational docking cilazapril vs leprosy targets. Cross-check cilazapril pharmacophore against leprosy pathway. mefenamic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.1602 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clonidine (Jaccard=0.54) clonazepam uterine_fibroid GAP_HIGH 0.1602 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.50) levorphanol sarcoma GAP_HIGH 0.1602 0.46153846153846156 fulvestrant High-priority: Binding assay levorphanol→?; validate in sarcoma cell model. Expected: similar to fulvestrant (Jaccard=0.46) stanozolol pancreatitis GAP_HIGH 0.1602 0.3333333333333333 prednisone High-priority: Binding assay stanozolol→?; validate in pancreatitis cell model. Expected: similar to prednisone (Jaccard=0.33) quinethazone vitiligo GAP_HIGH 0.1602 0.3076923076923077 etoricoxib High-priority: Binding assay quinethazone→?; validate in vitiligo cell model. Expected: similar to etoricoxib (Jaccard=0.31) amoxapine leprosy GAP_HIGH 0.1602 0.2978723404255319 phensuximide High-priority: Binding assay amoxapine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.30) dinoprostone sclerosing_cholangitis GAP_HIGH 0.1602 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in sclerosing_cholangitis cell model. Expected: similar to naloxone (Jaccard=0.22) primidone lung_cancer GAP_HIGH 0.1602 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in lung_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone ocular_cancer GAP_HIGH 0.1602 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in ocular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone rectum_cancer GAP_HIGH 0.1602 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in rectum_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril penile_cancer GAP_HIGH 0.1602 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in penile_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) clenbuterol alopecia_areata GAP_HIGH 0.1602 0.18181818181818182 dexamethasone High-priority: Binding assay clenbuterol→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.18) lubiprostone liver_cancer GAP_LOW 0.1602 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs liver_cancer targets. Cross-check lubiprostone pharmacophore against liver_cancer pathway. alpha-linolenic_acid systemic_lupus_erythematosus GAP_LOW 0.1602 0.13333333333333333 tripelennamine Low-priority: Computational docking alpha-linolenic_acid vs systemic_lupus_erythematosus targets. Cross-check alpha-linolenic_acid pharmacophore against systemic_lupus_erythematosus pathway. gliquidone leprosy GAP_LOW 0.1602 0.07692307692307693 sulfapyridine Low-priority: Computational docking gliquidone vs leprosy targets. Cross-check gliquidone pharmacophore against leprosy pathway. l-cystine leprosy GAP_LOW 0.1602 0.0 sulfapyridine Low-priority: Computational docking l-cystine vs leprosy targets. Cross-check l-cystine pharmacophore against leprosy pathway. orlistat leprosy GAP_LOW 0.1602 0.0 sulfapyridine Low-priority: Computational docking orlistat vs leprosy targets. Cross-check orlistat pharmacophore against leprosy pathway. sodium_lauryl_sulfate leprosy GAP_LOW 0.1602 0.0 sulfapyridine Low-priority: Computational docking sodium_lauryl_sulfate vs leprosy targets. Cross-check sodium_lauryl_sulfate pharmacophore against leprosy pathway. betamethasone brain_cancer GAP_HIGH 0.1601 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in brain_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) mefenamic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1601 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to clonidine (Jaccard=0.54) afatinib polycystic_ovary_syndrome GAP_HIGH 0.1601 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to erlotinib (Jaccard=0.47) azelastine alcohol_dependence GAP_HIGH 0.1601 0.41025641025641024 mazindol High-priority: Binding assay azelastine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.41) mestranol malignant_glioma GAP_HIGH 0.1601 0.4 estrone High-priority: Binding assay mestranol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.40) phenindione muscle_cancer GAP_HIGH 0.1601 0.38095238095238093 azelastine High-priority: Binding assay phenindione→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) imipramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1601 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.38) allylestrenol melanoma GAP_HIGH 0.1601 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in melanoma cell model. Expected: similar to dydrogesterone (Jaccard=0.33) benzocaine osteoarthritis GAP_HIGH 0.1601 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in osteoarthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) norepinephrine muscle_cancer GAP_HIGH 0.1601 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norelgestromin kidney_cancer GAP_HIGH 0.1601 0.3125 dydrogesterone High-priority: Binding assay norelgestromin→?; validate in kidney_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.31) choline brain_cancer GAP_HIGH 0.1601 0.25 diflorasone High-priority: Binding assay choline→?; validate in brain_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline intracranial_aneurysm GAP_HIGH 0.1601 0.25 diflorasone High-priority: Binding assay choline→?; validate in intracranial_aneurysm cell model. Expected: similar to diflorasone (Jaccard=0.25) cytarabine prostate_cancer GAP_HIGH 0.1601 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in prostate_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) estropipate epilepsy_syndrome GAP_HIGH 0.1601 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in epilepsy_syndrome cell model. Expected: similar to bifonazole (Jaccard=0.25) tolazamide lung_cancer GAP_HIGH 0.1601 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide rectum_cancer GAP_HIGH 0.1601 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) pentostatin kidney_cancer GAP_HIGH 0.1601 0.21428571428571427 lamivudine High-priority: Binding assay pentostatin→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.21) amiloride autistic_disorder GAP_HIGH 0.1601 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in autistic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.20) amiloride nicotine_dependence GAP_HIGH 0.1601 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in nicotine_dependence cell model. Expected: similar to amphetamine (Jaccard=0.20) caffeine sclerosing_cholangitis GAP_HIGH 0.1601 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.20) amiloride dilated_cardiomyopathy GAP_LOW 0.1601 0.1111111111111111 progesterone Low-priority: Computational docking amiloride vs dilated_cardiomyopathy targets. Cross-check amiloride pharmacophore against dilated_cardiomyopathy pathway. moricizine pancreatitis GAP_HIGH 0.16 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in pancreatitis cell model. Expected: similar to thioproperazine (Jaccard=0.50) tripelennamine ankylosing_spondylitis GAP_HIGH 0.16 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to brompheniramine (Jaccard=0.43) anileridine systemic_scleroderma GAP_HIGH 0.16 0.4166666666666667 milnacipran High-priority: Binding assay anileridine→?; validate in systemic_scleroderma cell model. Expected: similar to milnacipran (Jaccard=0.42) arbutamine azoospermia GAP_HIGH 0.16 0.4 ritodrine High-priority: Binding assay arbutamine→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.40) antipyrine rectum_cancer GAP_HIGH 0.16 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) dasatinib pancreatic_cancer GAP_HIGH 0.16 0.375 pazopanib High-priority: Binding assay dasatinib→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.38) norepinephrine lung_cancer GAP_HIGH 0.16 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine rectum_cancer GAP_HIGH 0.16 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) epinephrine azoospermia GAP_HIGH 0.16 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) fenbufen atherosclerosis GAP_HIGH 0.16 0.2857142857142857 flurbiprofen High-priority: Binding assay fenbufen→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.29) ibuprofen obesity GAP_HIGH 0.16 0.2857142857142857 glyburide High-priority: Binding assay ibuprofen→?; validate in obesity cell model. Expected: similar to glyburide (Jaccard=0.29) papaverine meningioma GAP_HIGH 0.16 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.24) clenbuterol meningioma GAP_HIGH 0.16 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) flutamide meningioma GAP_HIGH 0.16 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in meningioma cell model. Expected: similar to paclitaxel (Jaccard=0.20) primidone liver_cancer GAP_HIGH 0.16 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in liver_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril malignant_mesothelioma GAP_HIGH 0.16 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in malignant_mesothelioma cell model. Expected: similar to irinotecan (Jaccard=0.20) lubiprostone urinary_bladder_cancer GAP_LOW 0.16 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs urinary_bladder_cancer targets. Cross-check lubiprostone pharmacophore against urinary_bladder_cancer pathway. clocortolone barretts_esophagus GAP_LOW 0.16 0.09090909090909091 pantoprazole Low-priority: Computational docking clocortolone vs barretts_esophagus targets. Cross-check clocortolone pharmacophore against barretts_esophagus pathway. difluprednate barretts_esophagus GAP_LOW 0.16 0.09090909090909091 pantoprazole Low-priority: Computational docking difluprednate vs barretts_esophagus targets. Cross-check difluprednate pharmacophore against barretts_esophagus pathway. succinic_acid dilated_cardiomyopathy GAP_LOW 0.16 0.04 medrysone Low-priority: Computational docking succinic_acid vs dilated_cardiomyopathy targets. Cross-check succinic_acid pharmacophore against dilated_cardiomyopathy pathway. clonazepam polycystic_ovary_syndrome GAP_HIGH 0.1599 0.5 clobazam High-priority: Binding assay clonazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.50) afatinib rheumatoid_arthritis GAP_HIGH 0.1599 0.4666666666666667 erlotinib High-priority: Binding assay afatinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to erlotinib (Jaccard=0.47) l-glutamine glaucoma GAP_HIGH 0.1599 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.44) mestranol nephrolithiasis GAP_HIGH 0.1599 0.4 estrone High-priority: Binding assay mestranol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.40) danazol alopecia_areata GAP_HIGH 0.1599 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in alopecia_areata cell model. Expected: similar to spironolactone (Jaccard=0.36) norepinephrine alzheimers_disease GAP_HIGH 0.1599 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in alzheimers_disease cell model. Expected: similar to levonordefrin (Jaccard=0.33) drostanolone alcohol_dependence GAP_HIGH 0.1599 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.32) tolazamide liver_cancer GAP_HIGH 0.1599 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat polycystic_ovary_syndrome GAP_HIGH 0.1599 0.25 aripiprazole High-priority: Binding assay vorinostat→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to aripiprazole (Jaccard=0.25) vorinostat type_2_diabetes_mellitus GAP_HIGH 0.1599 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to vincristine (Jaccard=0.25) primidone urinary_bladder_cancer GAP_HIGH 0.1599 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in urinary_bladder_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) baclofen type_1_diabetes_mellitus GAP_HIGH 0.1599 0.15384615384615385 gliquidone High-priority: Binding assay baclofen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.15) lubiprostone head_and_neck_cancer GAP_LOW 0.1599 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs head_and_neck_cancer targets. Cross-check lubiprostone pharmacophore against head_and_neck_cancer pathway. cortisone_acetate sclerosing_cholangitis GAP_HIGH 0.1598 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in sclerosing_cholangitis cell model. Expected: similar to medrysone (Jaccard=0.46) masoprocol atherosclerosis GAP_HIGH 0.1598 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in atherosclerosis cell model. Expected: similar to carbidopa (Jaccard=0.43) acenocoumarol duodenum_cancer GAP_HIGH 0.1598 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol gallbladder_cancer GAP_HIGH 0.1598 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) ponatinib stomach_cancer GAP_HIGH 0.1598 0.39473684210526316 imatinib High-priority: Binding assay ponatinib→?; validate in stomach_cancer cell model. Expected: similar to imatinib (Jaccard=0.39) antipyrine liver_cancer GAP_HIGH 0.1598 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) fenbufen hematologic_cancer GAP_HIGH 0.1598 0.35 azelastine High-priority: Binding assay fenbufen→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.35) allylestrenol sclerosing_cholangitis GAP_HIGH 0.1598 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in sclerosing_cholangitis cell model. Expected: similar to dydrogesterone (Jaccard=0.33) norepinephrine amyotrophic_lateral_sclerosis GAP_HIGH 0.1598 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine autistic_disorder GAP_HIGH 0.1598 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine liver_cancer GAP_HIGH 0.1598 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine nicotine_dependence GAP_HIGH 0.1598 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine parkinsons_disease GAP_HIGH 0.1598 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in parkinsons_disease cell model. Expected: similar to levonordefrin (Jaccard=0.33) alprazolam atherosclerosis GAP_HIGH 0.1598 0.2903225806451613 flurbiprofen High-priority: Binding assay alprazolam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.29) azacitidine kidney_cancer GAP_HIGH 0.1598 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) ibuprofen penile_cancer GAP_HIGH 0.1598 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in penile_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) telmisartan gestational_diabetes GAP_HIGH 0.1598 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in gestational_diabetes cell model. Expected: similar to tolbutamide (Jaccard=0.25) primidone peripheral_nervous_system_neoplasm GAP_HIGH 0.1598 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pantoprazole (Jaccard=0.20) dinoprost_tromethamine brain_cancer GAP_LOW 0.1598 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs brain_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against brain_cancer pathway. dinoprost_tromethamine intracranial_aneurysm GAP_LOW 0.1598 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs intracranial_aneurysm targets. Cross-check dinoprost_tromethamine pharmacophore against intracranial_aneurysm pathway. nilotinib pagets_disease_of_bone GAP_LOW 0.1598 0.1 histamine_phosphate Low-priority: Computational docking nilotinib vs pagets_disease_of_bone targets. Cross-check nilotinib pharmacophore against pagets_disease_of_bone pathway. sodium_lauryl_sulfate larynx_cancer GAP_LOW 0.1598 0.1 alendronate Low-priority: Computational docking sodium_lauryl_sulfate vs larynx_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against larynx_cancer pathway. afatinib barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking afatinib vs barretts_esophagus targets. Cross-check afatinib pharmacophore against barretts_esophagus pathway. chlorthalidone barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking chlorthalidone vs barretts_esophagus targets. Cross-check chlorthalidone pharmacophore against barretts_esophagus pathway. crizotinib barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking crizotinib vs barretts_esophagus targets. Cross-check crizotinib pharmacophore against barretts_esophagus pathway. diethylpropion barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking diethylpropion vs barretts_esophagus targets. Cross-check diethylpropion pharmacophore against barretts_esophagus pathway. epinephrine hypothyroidism GAP_LOW 0.1598 0.0 methimazole Low-priority: Computational docking epinephrine vs hypothyroidism targets. Cross-check epinephrine pharmacophore against hypothyroidism pathway. l-phenylalanine barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking l-phenylalanine vs barretts_esophagus targets. Cross-check l-phenylalanine pharmacophore against barretts_esophagus pathway. nabumetone hypothyroidism GAP_LOW 0.1598 0.0 methimazole Low-priority: Computational docking nabumetone vs hypothyroidism targets. Cross-check nabumetone pharmacophore against hypothyroidism pathway. orciprenaline barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking orciprenaline vs barretts_esophagus targets. Cross-check orciprenaline pharmacophore against barretts_esophagus pathway. pemetrexed barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking pemetrexed vs barretts_esophagus targets. Cross-check pemetrexed pharmacophore against barretts_esophagus pathway. phenformin barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking phenformin vs barretts_esophagus targets. Cross-check phenformin pharmacophore against barretts_esophagus pathway. telbivudine barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking telbivudine vs barretts_esophagus targets. Cross-check telbivudine pharmacophore against barretts_esophagus pathway. terbutaline barretts_esophagus GAP_LOW 0.1598 0.0 pantoprazole Low-priority: Computational docking terbutaline vs barretts_esophagus targets. Cross-check terbutaline pharmacophore against barretts_esophagus pathway. estradiol penile_cancer GAP_HIGH 0.1597 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.54) tripelennamine epilepsy_syndrome GAP_HIGH 0.1597 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in epilepsy_syndrome cell model. Expected: similar to brompheniramine (Jaccard=0.43) mestranol celiac_disease GAP_HIGH 0.1597 0.4 estrone High-priority: Binding assay mestranol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.40) benzocaine systemic_scleroderma GAP_HIGH 0.1597 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in systemic_scleroderma cell model. Expected: similar to cyclandelate (Jaccard=0.33) desogestrel nephrolithiasis GAP_HIGH 0.1597 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in nephrolithiasis cell model. Expected: similar to progesterone (Jaccard=0.32) azacitidine nephrolithiasis GAP_HIGH 0.1597 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.29) captopril hypertension GAP_HIGH 0.1597 0.2857142857142857 rescinnamine High-priority: Binding assay captopril→?; validate in hypertension cell model. Expected: similar to rescinnamine (Jaccard=0.29) carvedilol pharynx_cancer GAP_HIGH 0.1597 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in pharynx_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) l-arginine pancreatic_cancer GAP_HIGH 0.1597 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in pancreatic_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.27) lercanidipine alzheimers_disease GAP_HIGH 0.1597 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine parkinsons_disease GAP_HIGH 0.1597 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) remifentanil malignant_mesothelioma GAP_HIGH 0.1597 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.25) tolazamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1597 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.25) vorinostat rheumatoid_arthritis GAP_HIGH 0.1597 0.25 vincristine High-priority: Binding assay vorinostat→?; validate in rheumatoid_arthritis cell model. Expected: similar to vincristine (Jaccard=0.25) benazepril hematologic_cancer GAP_HIGH 0.1597 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.22) pentobarbital asthma GAP_HIGH 0.1597 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in asthma cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) amiloride glaucoma GAP_HIGH 0.1597 0.16666666666666666 choline High-priority: Binding assay amiloride→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) nitisinone celiac_disease GAP_LOW 0.1597 0.1111111111111111 benzatropine Low-priority: Computational docking nitisinone vs celiac_disease targets. Cross-check nitisinone pharmacophore against celiac_disease pathway. alpha-linolenic_acid kidney_cancer GAP_LOW 0.1597 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs kidney_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against kidney_cancer pathway. anileridine polycystic_ovary_syndrome GAP_HIGH 0.1596 0.4166666666666667 milnacipran High-priority: Binding assay anileridine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to milnacipran (Jaccard=0.42) anileridine type_2_diabetes_mellitus GAP_HIGH 0.1596 0.4166666666666667 milnacipran High-priority: Binding assay anileridine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to milnacipran (Jaccard=0.42) phenoxybenzamine celiac_disease GAP_HIGH 0.1596 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.42) levonorgestrel kidney_cancer GAP_HIGH 0.1596 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens malignant_glioma GAP_HIGH 0.1596 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.33) norepinephrine urinary_bladder_cancer GAP_HIGH 0.1596 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) allylestrenol esophageal_cancer GAP_HIGH 0.1596 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.30) moexipril epilepsy_syndrome GAP_HIGH 0.1596 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.30) l-arginine osteoporosis GAP_HIGH 0.1596 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in osteoporosis cell model. Expected: similar to dexamethasone (Jaccard=0.27) l-arginine ovarian_cancer GAP_HIGH 0.1596 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in ovarian_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.27) ritodrine germ_cell_cancer GAP_HIGH 0.1596 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ibuprofen malignant_mesothelioma GAP_HIGH 0.1596 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in malignant_mesothelioma cell model. Expected: similar to paclitaxel (Jaccard=0.25) lercanidipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1596 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine autistic_disorder GAP_HIGH 0.1596 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine nicotine_dependence GAP_HIGH 0.1596 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.25) nimodipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1596 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.23) dinoprostone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1596 0.2222222222222222 epinephrine High-priority: Binding assay dinoprostone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.22) pentostatin meningioma GAP_HIGH 0.1596 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in meningioma cell model. Expected: similar to gemcitabine (Jaccard=0.22) pentobarbital atopic_dermatitis GAP_HIGH 0.1596 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in atopic_dermatitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) amiloride conduct_disorder GAP_HIGH 0.1596 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in conduct_disorder cell model. Expected: similar to amphetamine (Jaccard=0.20) amiloride panic_disorder GAP_HIGH 0.1596 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in panic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.20) amiloride schizophrenia GAP_HIGH 0.1596 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in schizophrenia cell model. Expected: similar to amphetamine (Jaccard=0.20) dopamine leprosy GAP_HIGH 0.1596 0.16666666666666666 lenalidomide High-priority: Binding assay dopamine→?; validate in leprosy cell model. Expected: similar to lenalidomide (Jaccard=0.17) lubiprostone asthma GAP_LOW 0.1596 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs asthma targets. Cross-check lubiprostone pharmacophore against asthma pathway. lubiprostone atopic_dermatitis GAP_LOW 0.1596 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs atopic_dermatitis targets. Cross-check lubiprostone pharmacophore against atopic_dermatitis pathway. lubiprostone colon_cancer GAP_LOW 0.1596 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs colon_cancer targets. Cross-check lubiprostone pharmacophore against colon_cancer pathway. alpha-linolenic_acid systemic_scleroderma GAP_LOW 0.1596 0.13333333333333333 tripelennamine Low-priority: Computational docking alpha-linolenic_acid vs systemic_scleroderma targets. Cross-check alpha-linolenic_acid pharmacophore against systemic_scleroderma pathway. sodium_tetradecyl_sulfate dilated_cardiomyopathy GAP_LOW 0.1596 0.05555555555555555 rimexolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs dilated_cardiomyopathy targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against dilated_cardiomyopathy pathway. bepridil malignant_mesothelioma GAP_HIGH 0.1595 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.50) megestrol_acetate hypertension GAP_HIGH 0.1595 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in hypertension cell model. Expected: similar to dydrogesterone (Jaccard=0.50) suprofen malignant_mesothelioma GAP_HIGH 0.1595 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.47) estazolam metabolic_syndrome_x GAP_HIGH 0.1595 0.42105263157894735 chlordiazepoxide High-priority: Binding assay estazolam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.42) levonorgestrel nephrolithiasis GAP_HIGH 0.1595 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in nephrolithiasis cell model. Expected: similar to spironolactone (Jaccard=0.36) arbutamine atherosclerosis GAP_HIGH 0.1595 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in atherosclerosis cell model. Expected: similar to droxidopa (Jaccard=0.35) conjugated_estrogens kidney_cancer GAP_HIGH 0.1595 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.33) norepinephrine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1595 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.33) desogestrel celiac_disease GAP_HIGH 0.1595 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in celiac_disease cell model. Expected: similar to progesterone (Jaccard=0.32) ibuprofen restless_legs_syndrome GAP_HIGH 0.1595 0.2857142857142857 bumetanide High-priority: Binding assay ibuprofen→?; validate in restless_legs_syndrome cell model. Expected: similar to bumetanide (Jaccard=0.29) carvedilol germ_cell_cancer GAP_HIGH 0.1595 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in germ_cell_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) l-carnitine duodenum_cancer GAP_HIGH 0.1595 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in duodenum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine gallbladder_cancer GAP_HIGH 0.1595 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in gallbladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine melanoma GAP_HIGH 0.1595 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.25) losartan creutzfeldt-jakob_disease GAP_HIGH 0.1595 0.25 moexipril High-priority: Binding assay losartan→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.25) caffeine thyroid_cancer GAP_HIGH 0.1595 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) labetalol crohns_disease GAP_HIGH 0.1595 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in crohns_disease cell model. Expected: similar to trimipramine (Jaccard=0.18) dinoprost_tromethamine nicotine_dependence GAP_HIGH 0.1595 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in nicotine_dependence cell model. Expected: similar to pyrimethamine (Jaccard=0.17) carboprost_tromethamine brain_cancer GAP_HIGH 0.1595 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in brain_cancer cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine intracranial_aneurysm GAP_HIGH 0.1595 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.15) lubiprostone allergic_rhinitis GAP_LOW 0.1595 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs allergic_rhinitis targets. Cross-check lubiprostone pharmacophore against allergic_rhinitis pathway. lubiprostone stomach_cancer GAP_LOW 0.1595 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs stomach_cancer targets. Cross-check lubiprostone pharmacophore against stomach_cancer pathway. testosterone hypothyroidism GAP_LOW 0.1595 0.1 methimazole Low-priority: Computational docking testosterone vs hypothyroidism targets. Cross-check testosterone pharmacophore against hypothyroidism pathway. valsartan leprosy GAP_LOW 0.1595 0.07142857142857142 sulfamethizole Low-priority: Computational docking valsartan vs leprosy targets. Cross-check valsartan pharmacophore against leprosy pathway. loxapine gout GAP_HIGH 0.1594 0.5416666666666666 methdilazine High-priority: Binding assay loxapine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.54) acenocoumarol creutzfeldt-jakob_disease GAP_HIGH 0.1594 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clobazam (Jaccard=0.40) aceprometazine crohns_disease GAP_HIGH 0.1594 0.4 mepenzolate High-priority: Binding assay aceprometazine→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.40) selegiline epilepsy_syndrome GAP_HIGH 0.1594 0.4 phenformin High-priority: Binding assay selegiline→?; validate in epilepsy_syndrome cell model. Expected: similar to phenformin (Jaccard=0.40) methyltestosterone esophageal_cancer GAP_HIGH 0.1594 0.3888888888888889 fluoxymesterone High-priority: Binding assay methyltestosterone→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) conjugated_estrogens nephrolithiasis GAP_HIGH 0.1594 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.33) dipivefrin attention_deficit_hyperactivity_disorder GAP_HIGH 0.1594 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) ibuprofen polycystic_ovary_syndrome GAP_HIGH 0.1594 0.2857142857142857 glyburide High-priority: Binding assay ibuprofen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to glyburide (Jaccard=0.29) ibuprofen type_2_diabetes_mellitus GAP_HIGH 0.1594 0.2857142857142857 bumetanide High-priority: Binding assay ibuprofen→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to bumetanide (Jaccard=0.29) arformoterol kidney_cancer GAP_HIGH 0.1594 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol thyroid_cancer GAP_HIGH 0.1594 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in thyroid_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) estropipate alzheimers_disease GAP_HIGH 0.1594 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in alzheimers_disease cell model. Expected: similar to bifonazole (Jaccard=0.25) lercanidipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1594 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat psoriatic_arthritis GAP_HIGH 0.1594 0.25 metformin High-priority: Binding assay vorinostat→?; validate in psoriatic_arthritis cell model. Expected: similar to metformin (Jaccard=0.25) pentobarbital psoriasis GAP_HIGH 0.1594 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) amiloride bipolar_disorder GAP_HIGH 0.1594 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in bipolar_disorder cell model. Expected: similar to amphetamine (Jaccard=0.20) amiloride endogenous_depression GAP_HIGH 0.1594 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in endogenous_depression cell model. Expected: similar to amphetamine (Jaccard=0.20) captopril lymphatic_system_cancer GAP_HIGH 0.1594 0.2 glucosamine High-priority: Binding assay captopril→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.20) quinapril meningioma GAP_HIGH 0.1594 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in meningioma cell model. Expected: similar to irinotecan (Jaccard=0.20) nicardipine malaria GAP_HIGH 0.1594 0.16666666666666666 primidone High-priority: Binding assay nicardipine→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.17) lubiprostone pancreatic_cancer GAP_LOW 0.1594 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs pancreatic_cancer targets. Cross-check lubiprostone pharmacophore against pancreatic_cancer pathway. lubiprostone ulcerative_colitis GAP_LOW 0.1594 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs ulcerative_colitis targets. Cross-check lubiprostone pharmacophore against ulcerative_colitis pathway. dronedarone acquired_immunodeficiency_syndrome GAP_LOW 0.1594 0.07692307692307693 lisinopril Low-priority: Computational docking dronedarone vs acquired_immunodeficiency_syndrome targets. Cross-check dronedarone pharmacophore against acquired_immunodeficiency_syndrome pathway. diphenhydramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1593 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.63) mefenamic_acid uterine_cancer GAP_HIGH 0.1593 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in uterine_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) spironolactone dilated_cardiomyopathy GAP_HIGH 0.1593 0.42857142857142855 drospirenone High-priority: Binding assay spironolactone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to drospirenone (Jaccard=0.43) antazoline chronic_kidney_failure GAP_HIGH 0.1593 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.38) levonorgestrel celiac_disease GAP_HIGH 0.1593 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in celiac_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) benzocaine restless_legs_syndrome GAP_HIGH 0.1593 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in restless_legs_syndrome cell model. Expected: similar to cyclandelate (Jaccard=0.33) conjugated_estrogens celiac_disease GAP_HIGH 0.1593 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.33) norelgestromin sclerosing_cholangitis GAP_HIGH 0.1593 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in sclerosing_cholangitis cell model. Expected: similar to betamethasone (Jaccard=0.33) norepinephrine panic_disorder GAP_HIGH 0.1593 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine schizophrenia GAP_HIGH 0.1593 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.33) trilostane esophageal_cancer GAP_HIGH 0.1593 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in esophageal_cancer cell model. Expected: similar to prednisone (Jaccard=0.33) doxapram ocular_cancer GAP_HIGH 0.1593 0.2857142857142857 metaraminol High-priority: Binding assay doxapram→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.29) arformoterol nephrolithiasis GAP_HIGH 0.1593 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in nephrolithiasis cell model. Expected: similar to etoricoxib (Jaccard=0.27) estropipate autistic_disorder GAP_HIGH 0.1593 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) tolazamide asthma GAP_HIGH 0.1593 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide panic_disorder GAP_HIGH 0.1593 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide schizophrenia GAP_HIGH 0.1593 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.25) papaverine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1593 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.24) dinoprostone pancreatitis GAP_HIGH 0.1593 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in pancreatitis cell model. Expected: similar to naloxone (Jaccard=0.22) pentobarbital osteoporosis GAP_HIGH 0.1593 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in osteoporosis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) primidone stomach_cancer GAP_HIGH 0.1593 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in stomach_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) captopril dilated_cardiomyopathy GAP_HIGH 0.1593 0.15384615384615385 trandolapril High-priority: Binding assay captopril→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.15) aminolevulinic_acid glaucoma GAP_LOW 0.1593 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs glaucoma targets. Cross-check aminolevulinic_acid pharmacophore against glaucoma pathway. lubiprostone multiple_sclerosis GAP_LOW 0.1593 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs multiple_sclerosis targets. Cross-check lubiprostone pharmacophore against multiple_sclerosis pathway. lubiprostone osteoporosis GAP_LOW 0.1593 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs osteoporosis targets. Cross-check lubiprostone pharmacophore against osteoporosis pathway. lubiprostone ovarian_cancer GAP_LOW 0.1593 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs ovarian_cancer targets. Cross-check lubiprostone pharmacophore against ovarian_cancer pathway. lubiprostone psoriasis GAP_LOW 0.1593 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs psoriasis targets. Cross-check lubiprostone pharmacophore against psoriasis pathway. olmesartan leprosy GAP_LOW 0.1593 0.07142857142857142 sulfamethizole Low-priority: Computational docking olmesartan vs leprosy targets. Cross-check olmesartan pharmacophore against leprosy pathway. chlorprothixene pancreatitis GAP_HIGH 0.1592 0.6 chlorpromazine High-priority: Binding assay chlorprothixene→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.60) mefenamic_acid sarcoma GAP_HIGH 0.1592 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in sarcoma cell model. Expected: similar to clonidine (Jaccard=0.54) megestrol_acetate migraine GAP_HIGH 0.1592 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in migraine cell model. Expected: similar to dydrogesterone (Jaccard=0.50) clonazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1592 0.4230769230769231 chlorprothixene High-priority: Binding assay clonazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.42) sulfamethizole pancreatitis GAP_HIGH 0.1592 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in pancreatitis cell model. Expected: similar to sulfapyridine (Jaccard=0.40) selegiline azoospermia GAP_HIGH 0.1592 0.375 phentermine High-priority: Binding assay selegiline→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.38) allylestrenol thyroid_cancer GAP_HIGH 0.1592 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in thyroid_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) benzocaine vitiligo GAP_HIGH 0.1592 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in vitiligo cell model. Expected: similar to cyclandelate (Jaccard=0.33) dipivefrin panic_disorder GAP_HIGH 0.1592 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in panic_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) dipivefrin schizophrenia GAP_HIGH 0.1592 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in schizophrenia cell model. Expected: similar to mebendazole (Jaccard=0.33) norepinephrine breast_cancer GAP_HIGH 0.1592 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in breast_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine colon_cancer GAP_HIGH 0.1592 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine conduct_disorder GAP_HIGH 0.1592 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine hypertension GAP_HIGH 0.1592 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in hypertension cell model. Expected: similar to levonordefrin (Jaccard=0.33) proparacaine gout GAP_HIGH 0.1592 0.3181818181818182 procaine High-priority: Binding assay proparacaine→?; validate in gout cell model. Expected: similar to procaine (Jaccard=0.32) choline head_and_neck_cancer GAP_HIGH 0.1592 0.25 diflorasone High-priority: Binding assay choline→?; validate in head_and_neck_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline malignant_glioma GAP_HIGH 0.1592 0.25 diflorasone High-priority: Binding assay choline→?; validate in malignant_glioma cell model. Expected: similar to diflorasone (Jaccard=0.25) l-carnitine sclerosing_cholangitis GAP_HIGH 0.1592 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in sclerosing_cholangitis cell model. Expected: similar to raloxifene (Jaccard=0.25) metaraminol gilles_de_la_tourette_syndrome GAP_HIGH 0.1592 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.25) tolazamide allergic_rhinitis GAP_HIGH 0.1592 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide colon_cancer GAP_HIGH 0.1592 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide hypertension GAP_HIGH 0.1592 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide stomach_cancer GAP_HIGH 0.1592 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) caffeine pancreatitis GAP_HIGH 0.1592 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.20) dopamine bone_cancer GAP_HIGH 0.1592 0.2 histamine_phosphate High-priority: Binding assay dopamine→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) primidone pancreatic_cancer GAP_HIGH 0.1592 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in pancreatic_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone ulcerative_colitis GAP_HIGH 0.1592 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in ulcerative_colitis cell model. Expected: similar to pantoprazole (Jaccard=0.20) irbesartan esophageal_cancer GAP_HIGH 0.1592 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in esophageal_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) lubiprostone migraine GAP_LOW 0.1592 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs migraine targets. Cross-check lubiprostone pharmacophore against migraine pathway. vitamin_c amyotrophic_lateral_sclerosis GAP_LOW 0.1592 0.14285714285714285 desipramine Low-priority: Computational docking vitamin_c vs amyotrophic_lateral_sclerosis targets. Cross-check vitamin_c pharmacophore against amyotrophic_lateral_sclerosis pathway. sodium_lauryl_sulfate germ_cell_cancer GAP_LOW 0.1592 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs germ_cell_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against germ_cell_cancer pathway. dextrothyroxine alopecia_areata GAP_LOW 0.1592 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs alopecia_areata targets. Cross-check dextrothyroxine pharmacophore against alopecia_areata pathway. doxycycline dilated_cardiomyopathy GAP_LOW 0.1592 0.058823529411764705 trandolapril Low-priority: Computational docking doxycycline vs dilated_cardiomyopathy targets. Cross-check doxycycline pharmacophore against dilated_cardiomyopathy pathway. hydrocortisone rheumatoid_arthritis GAP_HIGH 0.1591 0.6363636363636364 testolactone High-priority: Binding assay hydrocortisone→?; validate in rheumatoid_arthritis cell model. Expected: similar to testolactone (Jaccard=0.64) betamethasone kidney_cancer GAP_HIGH 0.1591 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in kidney_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) diphemanil_methylsulfate gout GAP_HIGH 0.1591 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in gout cell model. Expected: similar to dimetacrine (Jaccard=0.44) estazolam obesity GAP_HIGH 0.1591 0.42105263157894735 chlordiazepoxide High-priority: Binding assay estazolam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.42) ponatinib skin_cancer GAP_HIGH 0.1591 0.39473684210526316 imatinib High-priority: Binding assay ponatinib→?; validate in skin_cancer cell model. Expected: similar to imatinib (Jaccard=0.39) sulfaphenazole epilepsy_syndrome GAP_HIGH 0.1591 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in epilepsy_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.38) diphenidol chronic_kidney_failure GAP_HIGH 0.1591 0.3333333333333333 isopropamide High-priority: Binding assay diphenidol→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.33) dipivefrin conduct_disorder GAP_HIGH 0.1591 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in conduct_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) norepinephrine bipolar_disorder GAP_HIGH 0.1591 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine stomach_cancer GAP_HIGH 0.1591 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) arformoterol celiac_disease GAP_HIGH 0.1591 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol salivary_gland_cancer GAP_HIGH 0.1591 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in salivary_gland_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) l-arginine osteoarthritis GAP_HIGH 0.1591 0.2727272727272727 dexamethasone High-priority: Binding assay l-arginine→?; validate in osteoarthritis cell model. Expected: similar to dexamethasone (Jaccard=0.27) estropipate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1591 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) lercanidipine asthma GAP_HIGH 0.1591 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine conduct_disorder GAP_HIGH 0.1591 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine panic_disorder GAP_HIGH 0.1591 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine schizophrenia GAP_HIGH 0.1591 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.25) pentobarbital systemic_lupus_erythematosus GAP_HIGH 0.1591 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) clenbuterol mediastinal_cancer GAP_HIGH 0.1591 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) flutamide mediastinal_cancer GAP_HIGH 0.1591 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in mediastinal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) flutamide primary_biliary_cirrhosis GAP_HIGH 0.1591 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to paclitaxel (Jaccard=0.20) l-arginine lymphatic_system_cancer GAP_HIGH 0.1591 0.2 glucosamine High-priority: Binding assay l-arginine→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.20) primidone osteoporosis GAP_HIGH 0.1591 0.2 ethotoin High-priority: Binding assay primidone→?; validate in osteoporosis cell model. Expected: similar to ethotoin (Jaccard=0.20) primidone uterine_cancer GAP_HIGH 0.1591 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in uterine_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) labetalol prostate_cancer GAP_HIGH 0.1591 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) methacholine membranous_glomerulonephritis GAP_LOW 0.1591 0.125 ergocalciferol Low-priority: Computational docking methacholine vs membranous_glomerulonephritis targets. Cross-check methacholine pharmacophore against membranous_glomerulonephritis pathway. nortriptyline focal_segmental_glomerulosclerosis GAP_HIGH 0.159 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acepromazine (Jaccard=0.50) flurandrenolide malignant_mesothelioma GAP_HIGH 0.159 0.375 amcinonide High-priority: Binding assay flurandrenolide→?; validate in malignant_mesothelioma cell model. Expected: similar to amcinonide (Jaccard=0.38) alprazolam vascular_cancer GAP_HIGH 0.159 0.36 chlorpromazine High-priority: Binding assay alprazolam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.36) benzocaine rheumatoid_arthritis GAP_HIGH 0.159 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) dipivefrin bipolar_disorder GAP_HIGH 0.159 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in bipolar_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) norepinephrine endogenous_depression GAP_HIGH 0.159 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine pancreatic_cancer GAP_HIGH 0.159 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine ulcerative_colitis GAP_HIGH 0.159 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.33) carvedilol muscle_cancer GAP_HIGH 0.159 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in muscle_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ritodrine penile_cancer GAP_HIGH 0.159 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline nephrolithiasis GAP_HIGH 0.159 0.25 vincristine High-priority: Binding assay choline→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.25) ibuprofen meningioma GAP_HIGH 0.159 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in meningioma cell model. Expected: similar to paclitaxel (Jaccard=0.25) lercanidipine allergic_rhinitis GAP_HIGH 0.159 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine atopic_dermatitis GAP_HIGH 0.159 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) lercanidipine breast_cancer GAP_HIGH 0.159 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in breast_cancer cell model. Expected: similar to ezetimibe (Jaccard=0.25) tolazamide ulcerative_colitis GAP_HIGH 0.159 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.25) glutethimide primary_biliary_cirrhosis GAP_HIGH 0.159 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.23) pentostatin prostate_cancer GAP_HIGH 0.159 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in prostate_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) clenbuterol gout GAP_HIGH 0.159 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in gout cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol primary_biliary_cirrhosis GAP_HIGH 0.159 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol thymus_cancer GAP_HIGH 0.159 0.21428571428571427 doxorubicin High-priority: Binding assay clenbuterol→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) pentobarbital chronic_obstructive_pulmonary_disease GAP_HIGH 0.159 0.20833333333333334 chlorprothixene High-priority: Binding assay pentobarbital→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.21) caffeine muscle_cancer GAP_HIGH 0.159 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) epinephrine alcohol_dependence GAP_HIGH 0.159 0.2 naloxone High-priority: Binding assay epinephrine→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.20) flutamide thymus_cancer GAP_HIGH 0.159 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in thymus_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) primidone sarcoma GAP_HIGH 0.159 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in sarcoma cell model. Expected: similar to pantoprazole (Jaccard=0.20) olmesartan kidney_cancer GAP_HIGH 0.159 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in kidney_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.18) dinoprost_tromethamine conduct_disorder GAP_HIGH 0.159 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in conduct_disorder cell model. Expected: similar to pyrimethamine (Jaccard=0.17) dinoprost_tromethamine panic_disorder GAP_HIGH 0.159 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in panic_disorder cell model. Expected: similar to pyrimethamine (Jaccard=0.17) dinoprost_tromethamine schizophrenia GAP_HIGH 0.159 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in schizophrenia cell model. Expected: similar to pyrimethamine (Jaccard=0.17) dinoprost_tromethamine head_and_neck_cancer GAP_LOW 0.159 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs head_and_neck_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against head_and_neck_cancer pathway. dinoprost_tromethamine malignant_glioma GAP_LOW 0.159 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs malignant_glioma targets. Cross-check dinoprost_tromethamine pharmacophore against malignant_glioma pathway. lubiprostone systemic_lupus_erythematosus GAP_LOW 0.159 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs systemic_lupus_erythematosus targets. Cross-check lubiprostone pharmacophore against systemic_lupus_erythematosus pathway. estradiol meningioma GAP_HIGH 0.1589 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.54) benzphetamine coronary_artery_disease GAP_HIGH 0.1589 0.5 bepridil High-priority: Binding assay benzphetamine→?; validate in coronary_artery_disease cell model. Expected: similar to bepridil (Jaccard=0.50) diphemanil_methylsulfate coronary_artery_disease GAP_HIGH 0.1589 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in coronary_artery_disease cell model. Expected: similar to dimetacrine (Jaccard=0.44) sulfamethizole lung_cancer GAP_HIGH 0.1589 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in lung_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) sulfamethizole rectum_cancer GAP_HIGH 0.1589 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in rectum_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) antipyrine uterine_cancer GAP_HIGH 0.1589 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) indomethacin pharynx_cancer GAP_HIGH 0.1589 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) dipivefrin endogenous_depression GAP_HIGH 0.1589 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in endogenous_depression cell model. Expected: similar to mebendazole (Jaccard=0.33) norepinephrine migraine GAP_HIGH 0.1589 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine multiple_sclerosis GAP_HIGH 0.1589 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine osteoporosis GAP_HIGH 0.1589 0.3333333333333333 l-dopa High-priority: Binding assay norepinephrine→?; validate in osteoporosis cell model. Expected: similar to l-dopa (Jaccard=0.33) norepinephrine ovarian_cancer GAP_HIGH 0.1589 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in ovarian_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine uterine_cancer GAP_HIGH 0.1589 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in uterine_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) moexipril autistic_disorder GAP_HIGH 0.1589 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.30) moexipril nicotine_dependence GAP_HIGH 0.1589 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.30) zolpidem crohns_disease GAP_HIGH 0.1589 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.27) carvedilol penile_cancer GAP_HIGH 0.1589 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in penile_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) lercanidipine bipolar_disorder GAP_HIGH 0.1589 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) tolazamide migraine GAP_HIGH 0.1589 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide ovarian_cancer GAP_HIGH 0.1589 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.25) tolazamide sarcoma GAP_HIGH 0.1589 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.25) glutethimide gout GAP_HIGH 0.1589 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.23) pentobarbital metabolic_syndrome_x GAP_HIGH 0.1589 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) caffeine lung_cancer GAP_HIGH 0.1589 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine rectum_cancer GAP_HIGH 0.1589 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) labetalol mediastinal_cancer GAP_HIGH 0.1589 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) dinoprost_tromethamine kidney_cancer GAP_LOW 0.1589 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs kidney_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against kidney_cancer pathway. dextrothyroxine celiac_disease GAP_LOW 0.1589 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs celiac_disease targets. Cross-check dextrothyroxine pharmacophore against celiac_disease pathway. beclomethasone barretts_esophagus GAP_LOW 0.1589 0.08333333333333333 pantoprazole Low-priority: Computational docking beclomethasone vs barretts_esophagus targets. Cross-check beclomethasone pharmacophore against barretts_esophagus pathway. alcaftadine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking alcaftadine vs barretts_esophagus targets. Cross-check alcaftadine pharmacophore against barretts_esophagus pathway. anileridine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking anileridine vs barretts_esophagus targets. Cross-check anileridine pharmacophore against barretts_esophagus pathway. anisotropine_methylbromide barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking anisotropine_methylbromide vs barretts_esophagus targets. Cross-check anisotropine_methylbromide pharmacophore against barretts_esophagus pathway. arbutamine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking arbutamine vs barretts_esophagus targets. Cross-check arbutamine pharmacophore against barretts_esophagus pathway. bepotastine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking bepotastine vs barretts_esophagus targets. Cross-check bepotastine pharmacophore against barretts_esophagus pathway. cladribine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking cladribine vs barretts_esophagus targets. Cross-check cladribine pharmacophore against barretts_esophagus pathway. floxuridine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking floxuridine vs barretts_esophagus targets. Cross-check floxuridine pharmacophore against barretts_esophagus pathway. flunarizine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking flunarizine vs barretts_esophagus targets. Cross-check flunarizine pharmacophore against barretts_esophagus pathway. ketoprofen barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking ketoprofen vs barretts_esophagus targets. Cross-check ketoprofen pharmacophore against barretts_esophagus pathway. ketorolac barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking ketorolac vs barretts_esophagus targets. Cross-check ketorolac pharmacophore against barretts_esophagus pathway. lisinopril barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking lisinopril vs barretts_esophagus targets. Cross-check lisinopril pharmacophore against barretts_esophagus pathway. naproxen barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking naproxen vs barretts_esophagus targets. Cross-check naproxen pharmacophore against barretts_esophagus pathway. oxybuprocaine barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking oxybuprocaine vs barretts_esophagus targets. Cross-check oxybuprocaine pharmacophore against barretts_esophagus pathway. ramipril barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking ramipril vs barretts_esophagus targets. Cross-check ramipril pharmacophore against barretts_esophagus pathway. sotalol barretts_esophagus GAP_LOW 0.1589 0.0 pantoprazole Low-priority: Computational docking sotalol vs barretts_esophagus targets. Cross-check sotalol pharmacophore against barretts_esophagus pathway. mefenamic_acid vaginal_cancer GAP_HIGH 0.1588 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in vaginal_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) selegiline alzheimers_disease GAP_HIGH 0.1588 0.4 phenformin High-priority: Binding assay selegiline→?; validate in alzheimers_disease cell model. Expected: similar to phenformin (Jaccard=0.40) selegiline parkinsons_disease GAP_HIGH 0.1588 0.4 phenformin High-priority: Binding assay selegiline→?; validate in parkinsons_disease cell model. Expected: similar to phenformin (Jaccard=0.40) dipivefrin migraine GAP_HIGH 0.1588 0.3333333333333333 betaxolol High-priority: Binding assay dipivefrin→?; validate in migraine cell model. Expected: similar to betaxolol (Jaccard=0.33) dipivefrin multiple_sclerosis GAP_HIGH 0.1588 0.3333333333333333 mebendazole High-priority: Binding assay dipivefrin→?; validate in multiple_sclerosis cell model. Expected: similar to mebendazole (Jaccard=0.33) dipivefrin osteoporosis GAP_HIGH 0.1588 0.3333333333333333 metipranolol High-priority: Binding assay dipivefrin→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.33) levomilnacipran chronic_kidney_failure GAP_HIGH 0.1588 0.3333333333333333 brompheniramine High-priority: Binding assay levomilnacipran→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.33) clobazam alcohol_dependence GAP_HIGH 0.1588 0.32432432432432434 mazindol High-priority: Binding assay clobazam→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.32) carvedilol ocular_cancer GAP_HIGH 0.1588 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in ocular_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ritodrine malignant_mesothelioma GAP_HIGH 0.1588 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.27) cytarabine duodenum_cancer GAP_HIGH 0.1588 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in duodenum_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) cytarabine gallbladder_cancer GAP_HIGH 0.1588 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in gallbladder_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) estropipate conduct_disorder GAP_HIGH 0.1588 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in conduct_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) estropipate panic_disorder GAP_HIGH 0.1588 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in panic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) estropipate schizophrenia GAP_HIGH 0.1588 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in schizophrenia cell model. Expected: similar to bifonazole (Jaccard=0.25) lercanidipine endogenous_depression GAP_HIGH 0.1588 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.25) cytarabine kidney_cancer GAP_HIGH 0.1588 0.23076923076923078 lamivudine High-priority: Binding assay cytarabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.23) dinoprostone nicotine_dependence GAP_HIGH 0.1588 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) labetalol thymus_cancer GAP_HIGH 0.1588 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) dinoprost_tromethamine bipolar_disorder GAP_HIGH 0.1588 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in bipolar_disorder cell model. Expected: similar to pyrimethamine (Jaccard=0.17) dinoprost_tromethamine endogenous_depression GAP_HIGH 0.1588 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in endogenous_depression cell model. Expected: similar to pyrimethamine (Jaccard=0.17) lubiprostone osteoarthritis GAP_LOW 0.1588 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs osteoarthritis targets. Cross-check lubiprostone pharmacophore against osteoarthritis pathway. mefenamic_acid testicular_cancer GAP_HIGH 0.1587 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in testicular_cancer cell model. Expected: similar to clonidine (Jaccard=0.54) pargyline glaucoma GAP_HIGH 0.1587 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) indecainide gilles_de_la_tourette_syndrome GAP_HIGH 0.1587 0.42857142857142855 tolterodine High-priority: Binding assay indecainide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to tolterodine (Jaccard=0.43) orphenadrine chronic_kidney_failure GAP_HIGH 0.1587 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.40) sulfamethizole liver_cancer GAP_HIGH 0.1587 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in liver_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) benzocaine psoriatic_arthritis GAP_HIGH 0.1587 0.3333333333333333 cyclandelate High-priority: Binding assay benzocaine→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) flurazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.1587 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to midazolam (Jaccard=0.33) moexipril attention_deficit_hyperactivity_disorder GAP_HIGH 0.1587 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.30) epinephrine hepatitis_b GAP_HIGH 0.1587 0.2608695652173913 glucosamine High-priority: Binding assay epinephrine→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.26) carvedilol malignant_mesothelioma GAP_HIGH 0.1587 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in malignant_mesothelioma cell model. Expected: similar to docetaxel (Jaccard=0.25) lercanidipine migraine GAP_HIGH 0.1587 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in migraine cell model. Expected: similar to ezetimibe (Jaccard=0.25) caffeine liver_cancer GAP_HIGH 0.1587 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) quinapril prostate_cancer GAP_HIGH 0.1587 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in prostate_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) quazepam vascular_cancer GAP_HIGH 0.1587 0.17391304347826086 chlorpromazine High-priority: Binding assay quazepam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.17) colchicine bone_cancer GAP_HIGH 0.1587 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) carboprost_tromethamine malignant_glioma GAP_HIGH 0.1587 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.15) tauroursodeoxycholic_acid hypertension GAP_LOW 0.1587 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs hypertension targets. Cross-check tauroursodeoxycholic_acid pharmacophore against hypertension pathway. amoxapine vascular_cancer GAP_HIGH 0.1586 0.5 chlorpromazine High-priority: Binding assay amoxapine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.50) moricizine osteoporosis GAP_HIGH 0.1586 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in osteoporosis cell model. Expected: similar to thioproperazine (Jaccard=0.50) indomethacin thyroid_cancer GAP_HIGH 0.1586 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) nitrazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.1586 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to midazolam (Jaccard=0.38) isocarboxazid pharynx_cancer GAP_HIGH 0.1586 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in pharynx_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) trilostane type_1_diabetes_mellitus GAP_HIGH 0.1586 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to prednisone (Jaccard=0.33) cinchocaine malaria GAP_HIGH 0.1586 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in malaria cell model. Expected: similar to phenmetrazine (Jaccard=0.30) prazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1586 0.26666666666666666 phenindione High-priority: Binding assay prazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenindione (Jaccard=0.27) estropipate bipolar_disorder GAP_HIGH 0.1586 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in bipolar_disorder cell model. Expected: similar to bifonazole (Jaccard=0.25) estropipate endogenous_depression GAP_HIGH 0.1586 0.25 bifonazole High-priority: Binding assay estropipate→?; validate in endogenous_depression cell model. Expected: similar to bifonazole (Jaccard=0.25) l-carnitine thyroid_cancer GAP_HIGH 0.1586 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) ketazolam alcohol_dependence GAP_HIGH 0.1586 0.23076923076923078 mazindol High-priority: Binding assay ketazolam→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.23) pentobarbital obesity GAP_HIGH 0.1586 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) primidone skin_cancer GAP_HIGH 0.1586 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in skin_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) vapreotide atherosclerosis GAP_HIGH 0.1586 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in atherosclerosis cell model. Expected: similar to deferasirox (Jaccard=0.18) labetalol coronary_artery_disease GAP_HIGH 0.1586 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in coronary_artery_disease cell model. Expected: similar to trimipramine (Jaccard=0.18) nilvadipine malaria GAP_HIGH 0.1586 0.16666666666666666 primidone High-priority: Binding assay nilvadipine→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.17) carboprost_tromethamine kidney_cancer GAP_HIGH 0.1586 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol alopecia_areata GAP_HIGH 0.1586 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.15) sodium_lauryl_sulfate penile_cancer GAP_LOW 0.1586 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs penile_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against penile_cancer pathway. l-cystine dilated_cardiomyopathy GAP_LOW 0.1586 0.03333333333333333 rimexolone Low-priority: Computational docking l-cystine vs dilated_cardiomyopathy targets. Cross-check l-cystine pharmacophore against dilated_cardiomyopathy pathway. clozapine chronic_kidney_failure GAP_HIGH 0.1585 0.5 chlorthalidone High-priority: Binding assay clozapine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.50) estazolam type_2_diabetes_mellitus GAP_HIGH 0.1585 0.42105263157894735 chlordiazepoxide High-priority: Binding assay estazolam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.42) sulfamethizole peripheral_nervous_system_neoplasm GAP_HIGH 0.1585 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to sulfapyridine (Jaccard=0.40) norepinephrine metabolic_syndrome_x GAP_HIGH 0.1585 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in metabolic_syndrome_x cell model. Expected: similar to levonordefrin (Jaccard=0.33) carvedilol peripheral_nervous_system_neoplasm GAP_HIGH 0.1585 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to nilotinib (Jaccard=0.27) carvedilol urinary_bladder_cancer GAP_HIGH 0.1585 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in urinary_bladder_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) caffeine peripheral_nervous_system_neoplasm GAP_HIGH 0.1585 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine urinary_bladder_cancer GAP_HIGH 0.1585 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) primidone testicular_cancer GAP_HIGH 0.1585 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in testicular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone vaginal_cancer GAP_HIGH 0.1585 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in vaginal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) primidone vulva_cancer GAP_HIGH 0.1585 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in vulva_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril mediastinal_cancer GAP_HIGH 0.1585 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in mediastinal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) quinapril primary_biliary_cirrhosis GAP_HIGH 0.1585 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to irinotecan (Jaccard=0.20) amiloride refractive_error GAP_HIGH 0.1585 0.16666666666666666 choline High-priority: Binding assay amiloride→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) carboprost_tromethamine nephrolithiasis GAP_HIGH 0.1585 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.15) sodium_lauryl_sulfate salivary_gland_cancer GAP_LOW 0.1585 0.14285714285714285 succinylcholine Low-priority: Computational docking sodium_lauryl_sulfate vs salivary_gland_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against salivary_gland_cancer pathway. succinic_acid thyroid_cancer GAP_LOW 0.1585 0.11764705882352941 vorinostat Low-priority: Computational docking succinic_acid vs thyroid_cancer targets. Cross-check succinic_acid pharmacophore against thyroid_cancer pathway. glimepiride acquired_immunodeficiency_syndrome GAP_LOW 0.1585 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs acquired_immunodeficiency_syndrome targets. Cross-check glimepiride pharmacophore against acquired_immunodeficiency_syndrome pathway. alpha-linolenic_acid atherosclerosis GAP_LOW 0.1585 0.06666666666666667 salicylate-sodium Low-priority: Computational docking alpha-linolenic_acid vs atherosclerosis targets. Cross-check alpha-linolenic_acid pharmacophore against atherosclerosis pathway. tripelennamine stomach_cancer GAP_HIGH 0.1584 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in stomach_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.43) estazolam vitiligo GAP_HIGH 0.1584 0.42105263157894735 chlordiazepoxide High-priority: Binding assay estazolam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.42) sulfaphenazole amyotrophic_lateral_sclerosis GAP_HIGH 0.1584 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole parkinsons_disease GAP_HIGH 0.1584 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in parkinsons_disease cell model. Expected: similar to olsalazine (Jaccard=0.38) norelgestromin pancreatitis GAP_HIGH 0.1584 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in pancreatitis cell model. Expected: similar to betamethasone (Jaccard=0.33) norepinephrine osteoarthritis GAP_HIGH 0.1584 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.33) moexipril asthma GAP_HIGH 0.1584 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.30) moexipril panic_disorder GAP_HIGH 0.1584 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.30) moexipril schizophrenia GAP_HIGH 0.1584 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.30) l-arginine prostate_cancer GAP_HIGH 0.1584 0.25 pemetrexed High-priority: Binding assay l-arginine→?; validate in prostate_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.25) pentobarbital systemic_scleroderma GAP_HIGH 0.1584 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in systemic_scleroderma cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) primidone vascular_cancer GAP_HIGH 0.1584 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in vascular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.20) quinapril thymus_cancer GAP_HIGH 0.1584 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in thymus_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) gliquidone larynx_cancer GAP_HIGH 0.1584 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) tauroursodeoxycholic_acid psoriasis GAP_LOW 0.1584 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs psoriasis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against psoriasis pathway. labetalol dilated_cardiomyopathy GAP_LOW 0.1584 0.1 trandolapril Low-priority: Computational docking labetalol vs dilated_cardiomyopathy targets. Cross-check labetalol pharmacophore against dilated_cardiomyopathy pathway. clocortolone metabolic_syndrome_x GAP_HIGH 0.1583 0.5 amcinonide High-priority: Binding assay clocortolone→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.50) difluprednate metabolic_syndrome_x GAP_HIGH 0.1583 0.5 amcinonide High-priority: Binding assay difluprednate→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.50) tripelennamine pancreatic_cancer GAP_HIGH 0.1583 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in pancreatic_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.43) antipyrine vaginal_cancer GAP_HIGH 0.1583 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) antipyrine vulva_cancer GAP_HIGH 0.1583 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) indomethacin salivary_gland_cancer GAP_HIGH 0.1583 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in salivary_gland_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) dipivefrin osteoarthritis GAP_HIGH 0.1583 0.3333333333333333 penbutolol High-priority: Binding assay dipivefrin→?; validate in osteoarthritis cell model. Expected: similar to penbutolol (Jaccard=0.33) norepinephrine testicular_cancer GAP_HIGH 0.1583 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in testicular_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine vaginal_cancer GAP_HIGH 0.1583 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in vaginal_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine vulva_cancer GAP_HIGH 0.1583 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in vulva_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) moexipril conduct_disorder GAP_HIGH 0.1583 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.30) ibuprofen prostate_cancer GAP_HIGH 0.1583 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in prostate_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine pancreatitis GAP_HIGH 0.1583 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.25) dinoprostone conduct_disorder GAP_HIGH 0.1583 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) dinoprostone panic_disorder GAP_HIGH 0.1583 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) dinoprostone schizophrenia GAP_HIGH 0.1583 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.22) benzthiazide esophageal_cancer GAP_HIGH 0.1583 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) carboprost_tromethamine celiac_disease GAP_HIGH 0.1583 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.15) sodium_lauryl_sulfate malignant_mesothelioma GAP_LOW 0.1583 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs malignant_mesothelioma targets. Cross-check sodium_lauryl_sulfate pharmacophore against malignant_mesothelioma pathway. dextrothyroxine esophageal_cancer GAP_LOW 0.1583 0.09090909090909091 mesalazine Low-priority: Computational docking dextrothyroxine vs esophageal_cancer targets. Cross-check dextrothyroxine pharmacophore against esophageal_cancer pathway. bepridil prostate_cancer GAP_HIGH 0.1582 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) desipramine acquired_immunodeficiency_syndrome GAP_HIGH 0.1582 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.43) diphemanil_methylsulfate esophageal_cancer GAP_HIGH 0.1582 0.4117647058823529 toremifene High-priority: Binding assay diphemanil_methylsulfate→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.41) acenocoumarol lung_cancer GAP_HIGH 0.1582 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol rectum_cancer GAP_HIGH 0.1582 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) indomethacin muscle_cancer GAP_HIGH 0.1582 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) norepinephrine vascular_cancer GAP_HIGH 0.1582 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in vascular_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) moexipril allergic_rhinitis GAP_HIGH 0.1582 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.30) moexipril bipolar_disorder GAP_HIGH 0.1582 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.30) pralatrexate hypertension GAP_HIGH 0.1582 0.3 trimethoprim High-priority: Binding assay pralatrexate→?; validate in hypertension cell model. Expected: similar to trimethoprim (Jaccard=0.30) ritodrine meningioma GAP_HIGH 0.1582 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.27) amphetamine gout GAP_HIGH 0.1582 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in gout cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) losartan alzheimers_disease GAP_HIGH 0.1582 0.25 moexipril High-priority: Binding assay losartan→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.25) losartan parkinsons_disease GAP_HIGH 0.1582 0.25 moexipril High-priority: Binding assay losartan→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.25) remifentanil mediastinal_cancer GAP_HIGH 0.1582 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) glutethimide hematologic_cancer GAP_HIGH 0.1582 0.22448979591836735 phensuximide High-priority: Binding assay glutethimide→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.22) dinoprostone atopic_dermatitis GAP_HIGH 0.1582 0.2222222222222222 epinephrine High-priority: Binding assay dinoprostone→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.22) dinoprostone hypertension GAP_HIGH 0.1582 0.2222222222222222 clenbuterol High-priority: Binding assay dinoprostone→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=0.22) ceruletide germ_cell_cancer GAP_HIGH 0.1582 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in germ_cell_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) loxapine azoospermia GAP_HIGH 0.1581 0.5185185185185185 chlorpromazine High-priority: Binding assay loxapine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.52) tripelennamine multiple_sclerosis GAP_HIGH 0.1581 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in multiple_sclerosis cell model. Expected: similar to brompheniramine (Jaccard=0.43) acenocoumarol liver_cancer GAP_HIGH 0.1581 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) sulfaphenazole attention_deficit_hyperactivity_disorder GAP_HIGH 0.1581 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) antipyrine hematologic_cancer GAP_HIGH 0.1581 0.35714285714285715 phensuximide High-priority: Binding assay antipyrine→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.36) norepinephrine obesity GAP_HIGH 0.1581 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in obesity cell model. Expected: similar to levonordefrin (Jaccard=0.33) moexipril endogenous_depression GAP_HIGH 0.1581 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.30) prazepam duodenum_cancer GAP_HIGH 0.1581 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in duodenum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) prazepam gallbladder_cancer GAP_HIGH 0.1581 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) carvedilol meningioma GAP_HIGH 0.1581 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in meningioma cell model. Expected: similar to docetaxel (Jaccard=0.25) ibuprofen mediastinal_cancer GAP_HIGH 0.1581 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in mediastinal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen primary_biliary_cirrhosis GAP_HIGH 0.1581 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine muscle_cancer GAP_HIGH 0.1581 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) losartan amyotrophic_lateral_sclerosis GAP_HIGH 0.1581 0.25 moexipril High-priority: Binding assay losartan→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.25) remifentanil thymus_cancer GAP_HIGH 0.1581 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) dinoprostone bipolar_disorder GAP_HIGH 0.1581 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) primidone uterine_fibroid GAP_HIGH 0.1581 0.2 pantoprazole High-priority: Binding assay primidone→?; validate in uterine_fibroid cell model. Expected: similar to pantoprazole (Jaccard=0.20) papaverine malaria GAP_HIGH 0.1581 0.18181818181818182 primidone High-priority: Binding assay papaverine→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.18) dinoprost_tromethamine primary_biliary_cirrhosis GAP_HIGH 0.1581 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to pazopanib (Jaccard=0.15) vitamin_c alopecia_areata GAP_LOW 0.1581 0.1111111111111111 dexamethasone Low-priority: Computational docking vitamin_c vs alopecia_areata targets. Cross-check vitamin_c pharmacophore against alopecia_areata pathway. fluocinonide barretts_esophagus GAP_LOW 0.1581 0.08333333333333333 pantoprazole Low-priority: Computational docking fluocinonide vs barretts_esophagus targets. Cross-check fluocinonide pharmacophore against barretts_esophagus pathway. sodium_lauryl_sulfate atherosclerosis GAP_LOW 0.1581 0.07692307692307693 phentermine Low-priority: Computational docking sodium_lauryl_sulfate vs atherosclerosis targets. Cross-check sodium_lauryl_sulfate pharmacophore against atherosclerosis pathway. dextrothyroxine dilated_cardiomyopathy GAP_LOW 0.1581 0.05 progesterone Low-priority: Computational docking dextrothyroxine vs dilated_cardiomyopathy targets. Cross-check dextrothyroxine pharmacophore against dilated_cardiomyopathy pathway. abacavir barretts_esophagus GAP_LOW 0.1581 0.0 pantoprazole Low-priority: Computational docking abacavir vs barretts_esophagus targets. Cross-check abacavir pharmacophore against barretts_esophagus pathway. cinolazepam barretts_esophagus GAP_LOW 0.1581 0.0 pantoprazole Low-priority: Computational docking cinolazepam vs barretts_esophagus targets. Cross-check cinolazepam pharmacophore against barretts_esophagus pathway. diazepam barretts_esophagus GAP_LOW 0.1581 0.0 pantoprazole Low-priority: Computational docking diazepam vs barretts_esophagus targets. Cross-check diazepam pharmacophore against barretts_esophagus pathway. quinethazone barretts_esophagus GAP_LOW 0.1581 0.0 pantoprazole Low-priority: Computational docking quinethazone vs barretts_esophagus targets. Cross-check quinethazone pharmacophore against barretts_esophagus pathway. tranylcypromine barretts_esophagus GAP_LOW 0.1581 0.0 pantoprazole Low-priority: Computational docking tranylcypromine vs barretts_esophagus targets. Cross-check tranylcypromine pharmacophore against barretts_esophagus pathway. mefenamic_acid polycystic_ovary_syndrome GAP_HIGH 0.158 0.5384615384615384 clonidine High-priority: Binding assay mefenamic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clonidine (Jaccard=0.54) aminosalicylic_acid esophageal_cancer GAP_HIGH 0.158 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) bepridil mediastinal_cancer GAP_HIGH 0.158 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) megestrol_acetate restless_legs_syndrome GAP_HIGH 0.158 0.5 dydrogesterone High-priority: Binding assay megestrol_acetate→?; validate in restless_legs_syndrome cell model. Expected: similar to dydrogesterone (Jaccard=0.50) mequitazine gilles_de_la_tourette_syndrome GAP_HIGH 0.158 0.5 nefazodone High-priority: Binding assay mequitazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.50) suprofen primary_biliary_cirrhosis GAP_HIGH 0.158 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.47) acenocoumarol amyotrophic_lateral_sclerosis GAP_HIGH 0.158 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol autistic_disorder GAP_HIGH 0.158 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in autistic_disorder cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol nicotine_dependence GAP_HIGH 0.158 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in nicotine_dependence cell model. Expected: similar to clobazam (Jaccard=0.40) mestranol germ_cell_cancer GAP_HIGH 0.158 0.4 estrone High-priority: Binding assay mestranol→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.40) phenindamine pancreatic_cancer GAP_HIGH 0.158 0.4 indecainide High-priority: Binding assay phenindamine→?; validate in pancreatic_cancer cell model. Expected: similar to indecainide (Jaccard=0.40) sulfamethizole stomach_cancer GAP_HIGH 0.158 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in stomach_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) indomethacin ocular_cancer GAP_HIGH 0.158 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in ocular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) l-phenylalanine pharynx_cancer GAP_HIGH 0.158 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) enalapril type_1_diabetes_mellitus GAP_HIGH 0.158 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.36) orciprenaline crohns_disease GAP_HIGH 0.158 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.33) moexipril migraine GAP_HIGH 0.158 0.3 lisinopril High-priority: Binding assay moexipril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.30) carvedilol stomach_cancer GAP_HIGH 0.158 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in stomach_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ritodrine crohns_disease GAP_HIGH 0.158 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.27) zolpidem narcolepsy GAP_HIGH 0.158 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.27) ibuprofen thymus_cancer GAP_HIGH 0.158 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in thymus_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine lung_cancer GAP_HIGH 0.158 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in lung_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine rectum_cancer GAP_HIGH 0.158 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in rectum_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) dinoprostone endogenous_depression GAP_HIGH 0.158 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.22) dinoprostone psoriasis GAP_HIGH 0.158 0.2222222222222222 epinephrine High-priority: Binding assay dinoprostone→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.22) pentobarbital type_2_diabetes_mellitus GAP_HIGH 0.158 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) clenbuterol duodenum_cancer GAP_HIGH 0.158 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in duodenum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol gallbladder_cancer GAP_HIGH 0.158 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in gallbladder_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol melanoma GAP_HIGH 0.158 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in melanoma cell model. Expected: similar to olsalazine (Jaccard=0.21) amiloride restless_legs_syndrome GAP_HIGH 0.158 0.2 amphetamine High-priority: Binding assay amiloride→?; validate in restless_legs_syndrome cell model. Expected: similar to amphetamine (Jaccard=0.20) caffeine stomach_cancer GAP_HIGH 0.158 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) flutamide duodenum_cancer GAP_HIGH 0.158 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in duodenum_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) flutamide gallbladder_cancer GAP_HIGH 0.158 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in gallbladder_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) flutamide melanoma GAP_HIGH 0.158 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in melanoma cell model. Expected: similar to paclitaxel (Jaccard=0.20) isradipine alopecia_areata GAP_HIGH 0.158 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in alopecia_areata cell model. Expected: similar to desoximetasone (Jaccard=0.20) amobarbital malignant_mesothelioma GAP_HIGH 0.158 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.17) imipramine pagets_disease_of_bone GAP_LOW 0.158 0.14285714285714285 histamine_phosphate Low-priority: Computational docking imipramine vs pagets_disease_of_bone targets. Cross-check imipramine pharmacophore against pagets_disease_of_bone pathway. lubiprostone restless_legs_syndrome GAP_LOW 0.158 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs restless_legs_syndrome targets. Cross-check lubiprostone pharmacophore against restless_legs_syndrome pathway. tauroursodeoxycholic_acid metabolic_syndrome_x GAP_LOW 0.158 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs metabolic_syndrome_x targets. Cross-check tauroursodeoxycholic_acid pharmacophore against metabolic_syndrome_x pathway. vitamin_c malaria GAP_LOW 0.158 0.1 caffeine Low-priority: Computational docking vitamin_c vs malaria targets. Cross-check vitamin_c pharmacophore against malaria pathway. bepridil thymus_cancer GAP_HIGH 0.1579 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) clocortolone obesity GAP_HIGH 0.1579 0.5 amcinonide High-priority: Binding assay clocortolone→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.50) diethylstilbestrol primary_biliary_cirrhosis GAP_HIGH 0.1579 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.50) difluprednate obesity GAP_HIGH 0.1579 0.5 amcinonide High-priority: Binding assay difluprednate→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.50) moricizine vascular_cancer GAP_HIGH 0.1579 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in vascular_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.50) glucosamine primary_biliary_cirrhosis GAP_HIGH 0.1579 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to clofarabine (Jaccard=0.46) antipyrine uterine_fibroid GAP_HIGH 0.1579 0.38095238095238093 clozapine High-priority: Binding assay antipyrine→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.38) etonogestrel skin_cancer GAP_HIGH 0.1579 0.375 megestrol_acetate High-priority: Binding assay etonogestrel→?; validate in skin_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.38) sulfaphenazole panic_disorder GAP_HIGH 0.1579 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in panic_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) difenoxin metabolic_syndrome_x GAP_HIGH 0.1579 0.35714285714285715 papaverine High-priority: Binding assay difenoxin→?; validate in metabolic_syndrome_x cell model. Expected: similar to papaverine (Jaccard=0.36) isocarboxazid salivary_gland_cancer GAP_HIGH 0.1579 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in salivary_gland_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) norepinephrine uterine_fibroid GAP_HIGH 0.1579 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in uterine_fibroid cell model. Expected: similar to levonordefrin (Jaccard=0.33) pralatrexate migraine GAP_HIGH 0.1579 0.3 trimethoprim High-priority: Binding assay pralatrexate→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.30) captopril autistic_disorder GAP_HIGH 0.1579 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) captopril nicotine_dependence GAP_HIGH 0.1579 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.27) ibuprofen coronary_artery_disease GAP_HIGH 0.1579 0.25 indomethacin High-priority: Binding assay ibuprofen→?; validate in coronary_artery_disease cell model. Expected: similar to indomethacin (Jaccard=0.25) remifentanil hematologic_cancer GAP_HIGH 0.1579 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) tolazamide uterine_fibroid GAP_HIGH 0.1579 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.25) glutethimide duodenum_cancer GAP_HIGH 0.1579 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.23) glutethimide gallbladder_cancer GAP_HIGH 0.1579 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.23) benazepril epilepsy_syndrome GAP_HIGH 0.1579 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.22) pentobarbital vitiligo GAP_HIGH 0.1579 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) caffeine pancreatic_cancer GAP_HIGH 0.1579 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine ulcerative_colitis GAP_HIGH 0.1579 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.20) clofibrate acquired_immunodeficiency_syndrome GAP_HIGH 0.1579 0.16666666666666666 mitiglinide High-priority: Binding assay clofibrate→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.17) primidone azoospermia GAP_HIGH 0.1579 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in azoospermia cell model. Expected: similar to phenytoin (Jaccard=0.17) tauroursodeoxycholic_acid skin_cancer GAP_LOW 0.1579 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs skin_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against skin_cancer pathway. amlodipine pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking amlodipine vs pagets_disease_of_bone targets. Cross-check amlodipine pharmacophore against pagets_disease_of_bone pathway. amodiaquine pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking amodiaquine vs pagets_disease_of_bone targets. Cross-check amodiaquine pharmacophore against pagets_disease_of_bone pathway. carboprost_tromethamine pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking carboprost_tromethamine vs pagets_disease_of_bone targets. Cross-check carboprost_tromethamine pharmacophore against pagets_disease_of_bone pathway. conivaptan pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking conivaptan vs pagets_disease_of_bone targets. Cross-check conivaptan pharmacophore against pagets_disease_of_bone pathway. dinoprost_tromethamine pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking dinoprost_tromethamine vs pagets_disease_of_bone targets. Cross-check dinoprost_tromethamine pharmacophore against pagets_disease_of_bone pathway. dinoprostone pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking dinoprostone vs pagets_disease_of_bone targets. Cross-check dinoprostone pharmacophore against pagets_disease_of_bone pathway. epoprostenol pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking epoprostenol vs pagets_disease_of_bone targets. Cross-check epoprostenol pharmacophore against pagets_disease_of_bone pathway. eprosartan pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking eprosartan vs pagets_disease_of_bone targets. Cross-check eprosartan pharmacophore against pagets_disease_of_bone pathway. gliquidone pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking gliquidone vs pagets_disease_of_bone targets. Cross-check gliquidone pharmacophore against pagets_disease_of_bone pathway. glisoxepide pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking glisoxepide vs pagets_disease_of_bone targets. Cross-check glisoxepide pharmacophore against pagets_disease_of_bone pathway. sulpiride pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking sulpiride vs pagets_disease_of_bone targets. Cross-check sulpiride pharmacophore against pagets_disease_of_bone pathway. tafluprost pagets_disease_of_bone GAP_LOW 0.1579 0.0 ibandronate Low-priority: Computational docking tafluprost vs pagets_disease_of_bone targets. Cross-check tafluprost pharmacophore against pagets_disease_of_bone pathway. estradiol coronary_artery_disease GAP_HIGH 0.1578 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.54) cortisone_acetate hypertension GAP_HIGH 0.1578 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in hypertension cell model. Expected: similar to medrysone (Jaccard=0.46) phenoxybenzamine germ_cell_cancer GAP_HIGH 0.1578 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) selegiline migraine GAP_HIGH 0.1578 0.4 phenformin High-priority: Binding assay selegiline→?; validate in migraine cell model. Expected: similar to phenformin (Jaccard=0.40) sulfamethizole ovarian_cancer GAP_HIGH 0.1578 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in ovarian_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) sulfaphenazole asthma GAP_HIGH 0.1578 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole breast_cancer GAP_HIGH 0.1578 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in breast_cancer cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole conduct_disorder GAP_HIGH 0.1578 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in conduct_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole schizophrenia GAP_HIGH 0.1578 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in schizophrenia cell model. Expected: similar to olsalazine (Jaccard=0.38) epinephrine crohns_disease GAP_HIGH 0.1578 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) l-carnitine liver_cancer GAP_HIGH 0.1578 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in liver_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) ziprasidone alcohol_dependence GAP_HIGH 0.1578 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.25) methylphenobarbital malignant_mesothelioma GAP_HIGH 0.1578 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.21) caffeine uterine_cancer GAP_HIGH 0.1578 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in uterine_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) ibuprofen larynx_cancer GAP_HIGH 0.1578 0.2 docetaxel High-priority: Binding assay ibuprofen→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.20) triamterene brain_cancer GAP_HIGH 0.1578 0.2 histamine_phosphate High-priority: Binding assay triamterene→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) labetalol melanoma GAP_HIGH 0.1578 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.18) labetalol celiac_disease GAP_HIGH 0.1578 0.15789473684210525 fentanyl High-priority: Binding assay labetalol→?; validate in celiac_disease cell model. Expected: similar to fentanyl (Jaccard=0.16) menadione hypothyroidism GAP_LOW 0.1578 0.14285714285714285 methimazole Low-priority: Computational docking menadione vs hypothyroidism targets. Cross-check menadione pharmacophore against hypothyroidism pathway. estropipate alcohol_dependence GAP_LOW 0.1578 0.125 naloxone Low-priority: Computational docking estropipate vs alcohol_dependence targets. Cross-check estropipate pharmacophore against alcohol_dependence pathway. succinic_acid ocular_cancer GAP_LOW 0.1578 0.11764705882352941 vorinostat Low-priority: Computational docking succinic_acid vs ocular_cancer targets. Cross-check succinic_acid pharmacophore against ocular_cancer pathway. dextrothyroxine focal_segmental_glomerulosclerosis GAP_LOW 0.1578 0.09090909090909091 calcium_acetate Low-priority: Computational docking dextrothyroxine vs focal_segmental_glomerulosclerosis targets. Cross-check dextrothyroxine pharmacophore against focal_segmental_glomerulosclerosis pathway. gliclazide hypothyroidism GAP_LOW 0.1578 0.0 methimazole Low-priority: Computational docking gliclazide vs hypothyroidism targets. Cross-check gliclazide pharmacophore against hypothyroidism pathway. loratadine hypothyroidism GAP_LOW 0.1578 0.0 methimazole Low-priority: Computational docking loratadine vs hypothyroidism targets. Cross-check loratadine pharmacophore against hypothyroidism pathway. tolazamide hypothyroidism GAP_LOW 0.1578 0.0 methimazole Low-priority: Computational docking tolazamide vs hypothyroidism targets. Cross-check tolazamide pharmacophore against hypothyroidism pathway. bepridil hematologic_cancer GAP_HIGH 0.1577 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) diethylstilbestrol coronary_artery_disease GAP_HIGH 0.1577 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in coronary_artery_disease cell model. Expected: similar to toremifene (Jaccard=0.50) clobazam skin_cancer GAP_HIGH 0.1577 0.4444444444444444 flurbiprofen High-priority: Binding assay clobazam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.44) sulfamethizole sarcoma GAP_HIGH 0.1577 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in sarcoma cell model. Expected: similar to sulfapyridine (Jaccard=0.40) indomethacin peripheral_nervous_system_neoplasm GAP_HIGH 0.1577 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to thalidomide (Jaccard=0.38) indomethacin urinary_bladder_cancer GAP_HIGH 0.1577 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) sulfaphenazole allergic_rhinitis GAP_HIGH 0.1577 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole bipolar_disorder GAP_HIGH 0.1577 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in bipolar_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) danazol brain_cancer GAP_HIGH 0.1577 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in brain_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) danazol intracranial_aneurysm GAP_HIGH 0.1577 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in intracranial_aneurysm cell model. Expected: similar to spironolactone (Jaccard=0.36) allylestrenol hypertension GAP_HIGH 0.1577 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in hypertension cell model. Expected: similar to dydrogesterone (Jaccard=0.33) doxylamine membranous_glomerulonephritis GAP_HIGH 0.1577 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.33) isocarboxazid ocular_cancer GAP_HIGH 0.1577 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in ocular_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) terbutaline atherosclerosis GAP_HIGH 0.1577 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.31) captopril attention_deficit_hyperactivity_disorder GAP_HIGH 0.1577 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) carvedilol sarcoma GAP_HIGH 0.1577 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in sarcoma cell model. Expected: similar to nilotinib (Jaccard=0.27) carvedilol uterine_cancer GAP_HIGH 0.1577 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in uterine_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) quinacrine malignant_mesothelioma GAP_HIGH 0.1577 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.27) tolazamide restless_legs_syndrome GAP_HIGH 0.1577 0.25 bezafibrate High-priority: Binding assay tolazamide→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.25) carprofen focal_segmental_glomerulosclerosis GAP_HIGH 0.1577 0.21212121212121213 fenoprofen High-priority: Binding assay carprofen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.21) caffeine sarcoma GAP_HIGH 0.1577 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.20) flutamide sclerosing_cholangitis GAP_HIGH 0.1577 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in sclerosing_cholangitis cell model. Expected: similar to paclitaxel (Jaccard=0.20) lubiprostone rheumatoid_arthritis GAP_LOW 0.1577 0.14285714285714285 estrone Low-priority: Computational docking lubiprostone vs rheumatoid_arthritis targets. Cross-check lubiprostone pharmacophore against rheumatoid_arthritis pathway. sodium_lauryl_sulfate meningioma GAP_LOW 0.1577 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs meningioma targets. Cross-check sodium_lauryl_sulfate pharmacophore against meningioma pathway. sulfaphenazole endogenous_depression GAP_HIGH 0.1576 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in endogenous_depression cell model. Expected: similar to olsalazine (Jaccard=0.38) anileridine type_1_diabetes_mellitus GAP_HIGH 0.1576 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.36) fenbufen muscle_cancer GAP_HIGH 0.1576 0.35 azelastine High-priority: Binding assay fenbufen→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.35) etonogestrel kidney_cancer GAP_HIGH 0.1576 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.33) nilotinib crohns_disease GAP_HIGH 0.1576 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.33) norepinephrine restless_legs_syndrome GAP_HIGH 0.1576 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in restless_legs_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.33) pralatrexate metabolic_syndrome_x GAP_HIGH 0.1576 0.3 trimethoprim High-priority: Binding assay pralatrexate→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.30) l-carnitine peripheral_nervous_system_neoplasm GAP_HIGH 0.1576 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine urinary_bladder_cancer GAP_HIGH 0.1576 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) quinestrol hypertension GAP_HIGH 0.1576 0.25 testosterone_propionate High-priority: Binding assay quinestrol→?; validate in hypertension cell model. Expected: similar to testosterone_propionate (Jaccard=0.25) nandrolone_phenpropionate dilated_cardiomyopathy GAP_HIGH 0.1576 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) glutethimide sclerosing_cholangitis GAP_HIGH 0.1576 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.23) dinoprostone metabolic_syndrome_x GAP_HIGH 0.1576 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in metabolic_syndrome_x cell model. Expected: similar to naloxone (Jaccard=0.22) pentostatin duodenum_cancer GAP_HIGH 0.1576 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in duodenum_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) pentostatin gallbladder_cancer GAP_HIGH 0.1576 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in gallbladder_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) trifluridine hypertension GAP_HIGH 0.1576 0.2222222222222222 trimethoprim High-priority: Binding assay trifluridine→?; validate in hypertension cell model. Expected: similar to trimethoprim (Jaccard=0.22) tauroursodeoxycholic_acid obesity GAP_LOW 0.1576 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs obesity targets. Cross-check tauroursodeoxycholic_acid pharmacophore against obesity pathway. exemestane barretts_esophagus GAP_LOW 0.1576 0.08333333333333333 pantoprazole Low-priority: Computational docking exemestane vs barretts_esophagus targets. Cross-check exemestane pharmacophore against barretts_esophagus pathway. cortisone_acetate migraine GAP_HIGH 0.1575 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in migraine cell model. Expected: similar to medrysone (Jaccard=0.46) tripelennamine testicular_cancer GAP_HIGH 0.1575 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in testicular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.43) acenocoumarol conduct_disorder GAP_HIGH 0.1575 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in conduct_disorder cell model. Expected: similar to clobazam (Jaccard=0.40) phenindamine metabolic_syndrome_x GAP_HIGH 0.1575 0.4 indecainide High-priority: Binding assay phenindamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to indecainide (Jaccard=0.40) sulfaphenazole migraine GAP_HIGH 0.1575 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in migraine cell model. Expected: similar to olsalazine (Jaccard=0.38) sulfaphenazole multiple_sclerosis GAP_HIGH 0.1575 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in multiple_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) conjugated_estrogens germ_cell_cancer GAP_HIGH 0.1575 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.33) doxylamine germ_cell_cancer GAP_HIGH 0.1575 0.3333333333333333 tamoxifen High-priority: Binding assay doxylamine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) etonogestrel nephrolithiasis GAP_HIGH 0.1575 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in nephrolithiasis cell model. Expected: similar to spironolactone (Jaccard=0.33) norepinephrine polycystic_ovary_syndrome GAP_HIGH 0.1575 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.33) norepinephrine type_2_diabetes_mellitus GAP_HIGH 0.1575 0.3333333333333333 levonordefrin High-priority: Binding assay norepinephrine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to levonordefrin (Jaccard=0.33) phenylephrine hematologic_cancer GAP_HIGH 0.1575 0.3333333333333333 orciprenaline High-priority: Binding assay phenylephrine→?; validate in hematologic_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.33) ritodrine prostate_cancer GAP_HIGH 0.1575 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) amodiaquine sclerosing_cholangitis GAP_HIGH 0.1575 0.2413793103448276 chlordiazepoxide High-priority: Binding assay amodiaquine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.24) pentobarbital psoriatic_arthritis GAP_HIGH 0.1575 0.21739130434782608 chlordiazepoxide High-priority: Binding assay pentobarbital→?; validate in psoriatic_arthritis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.22) talbutal glaucoma GAP_LOW 0.1575 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs glaucoma targets. Cross-check talbutal pharmacophore against glaucoma pathway. succinic_acid urinary_bladder_cancer GAP_LOW 0.1575 0.11764705882352941 vorinostat Low-priority: Computational docking succinic_acid vs urinary_bladder_cancer targets. Cross-check succinic_acid pharmacophore against urinary_bladder_cancer pathway. nimodipine leprosy GAP_LOW 0.1575 0.1 phenmetrazine Low-priority: Computational docking nimodipine vs leprosy targets. Cross-check nimodipine pharmacophore against leprosy pathway. dasatinib pagets_disease_of_bone GAP_LOW 0.1575 0.09090909090909091 histamine_phosphate Low-priority: Computational docking dasatinib vs pagets_disease_of_bone targets. Cross-check dasatinib pharmacophore against pagets_disease_of_bone pathway. alpha-linolenic_acid esophageal_cancer GAP_LOW 0.1575 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs esophageal_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against esophageal_cancer pathway. benzthiazide leprosy GAP_LOW 0.1575 0.08333333333333333 sulfamethizole Low-priority: Computational docking benzthiazide vs leprosy targets. Cross-check benzthiazide pharmacophore against leprosy pathway. calcium_acetate gestational_diabetes GAP_LOW 0.1575 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs gestational_diabetes targets. Cross-check calcium_acetate pharmacophore against gestational_diabetes pathway. zuclopenthixol vascular_cancer GAP_HIGH 0.1574 0.6 perphenazine High-priority: Binding assay zuclopenthixol→?; validate in vascular_cancer cell model. Expected: similar to perphenazine (Jaccard=0.60) clozapine azoospermia GAP_HIGH 0.1574 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in azoospermia cell model. Expected: similar to oxaprozin (Jaccard=0.50) benzphetamine esophageal_cancer GAP_HIGH 0.1574 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) pargyline refractive_error GAP_HIGH 0.1574 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) tripelennamine vascular_cancer GAP_HIGH 0.1574 0.42857142857142855 brompheniramine High-priority: Binding assay tripelennamine→?; validate in vascular_cancer cell model. Expected: similar to brompheniramine (Jaccard=0.43) ifenprodil celiac_disease GAP_HIGH 0.1574 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in celiac_disease cell model. Expected: similar to fentanyl (Jaccard=0.41) acenocoumarol colon_cancer GAP_HIGH 0.1574 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in colon_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol stomach_cancer GAP_HIGH 0.1574 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) aceprometazine sclerosing_cholangitis GAP_HIGH 0.1574 0.4 mepenzolate High-priority: Binding assay aceprometazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.40) mestranol penile_cancer GAP_HIGH 0.1574 0.4 estrone High-priority: Binding assay mestranol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.40) phenindamine skin_cancer GAP_HIGH 0.1574 0.4 indecainide High-priority: Binding assay phenindamine→?; validate in skin_cancer cell model. Expected: similar to indecainide (Jaccard=0.40) l-phenylalanine salivary_gland_cancer GAP_HIGH 0.1574 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) allylestrenol migraine GAP_HIGH 0.1574 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in migraine cell model. Expected: similar to dydrogesterone (Jaccard=0.33) allylestrenol sarcoma GAP_HIGH 0.1574 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in sarcoma cell model. Expected: similar to dydrogesterone (Jaccard=0.33) sotalol atherosclerosis GAP_HIGH 0.1574 0.3181818181818182 naproxen High-priority: Binding assay sotalol→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.32) arformoterol germ_cell_cancer GAP_HIGH 0.1574 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) captopril conduct_disorder GAP_HIGH 0.1574 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) choline membranous_glomerulonephritis GAP_HIGH 0.1574 0.25 adefovir_dipivoxil High-priority: Binding assay choline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.25) lercanidipine restless_legs_syndrome GAP_HIGH 0.1574 0.25 ezetimibe High-priority: Binding assay lercanidipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) estriol metabolic_syndrome_x GAP_HIGH 0.1574 0.2222222222222222 spironolactone High-priority: Binding assay estriol→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.22) ceruletide malignant_mesothelioma GAP_HIGH 0.1574 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in malignant_mesothelioma cell model. Expected: similar to goserelin (Jaccard=0.20) quinapril duodenum_cancer GAP_HIGH 0.1574 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) quinapril gallbladder_cancer GAP_HIGH 0.1574 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) quinapril melanoma GAP_HIGH 0.1574 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in melanoma cell model. Expected: similar to irinotecan (Jaccard=0.20) dinoprost_tromethamine restless_legs_syndrome GAP_HIGH 0.1574 0.16666666666666666 pyrimethamine High-priority: Binding assay dinoprost_tromethamine→?; validate in restless_legs_syndrome cell model. Expected: similar to pyrimethamine (Jaccard=0.17) prednisone barretts_esophagus GAP_LOW 0.1574 0.06666666666666667 pantoprazole Low-priority: Computational docking prednisone vs barretts_esophagus targets. Cross-check prednisone pharmacophore against barretts_esophagus pathway. acenocoumarol pancreatic_cancer GAP_HIGH 0.1573 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) selegiline osteoarthritis GAP_HIGH 0.1573 0.4 phenformin High-priority: Binding assay selegiline→?; validate in osteoarthritis cell model. Expected: similar to phenformin (Jaccard=0.40) etonogestrel celiac_disease GAP_HIGH 0.1573 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in celiac_disease cell model. Expected: similar to spironolactone (Jaccard=0.33) isocarboxazid peripheral_nervous_system_neoplasm GAP_HIGH 0.1573 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-tryptophan (Jaccard=0.33) norelgestromin hypertension GAP_HIGH 0.1573 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in hypertension cell model. Expected: similar to betamethasone (Jaccard=0.33) orciprenaline gout GAP_HIGH 0.1573 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.33) orciprenaline primary_biliary_cirrhosis GAP_HIGH 0.1573 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.33) carvedilol skin_cancer GAP_HIGH 0.1573 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in skin_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ritodrine gout GAP_HIGH 0.1573 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine mediastinal_cancer GAP_HIGH 0.1573 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine primary_biliary_cirrhosis GAP_HIGH 0.1573 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.27) papaverine pharynx_cancer GAP_HIGH 0.1573 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) trifluridine migraine GAP_HIGH 0.1573 0.2222222222222222 trimethoprim High-priority: Binding assay trifluridine→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.22) esmolol focal_segmental_glomerulosclerosis GAP_HIGH 0.1573 0.21212121212121213 fenoprofen High-priority: Binding assay esmolol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.21) flutamide pharynx_cancer GAP_HIGH 0.1573 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in pharynx_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) losartan hepatitis_b GAP_HIGH 0.1573 0.18181818181818182 trandolapril High-priority: Binding assay losartan→?; validate in hepatitis_b cell model. Expected: similar to trandolapril (Jaccard=0.18) l-arginine dilated_cardiomyopathy GAP_HIGH 0.1573 0.15384615384615385 trandolapril High-priority: Binding assay l-arginine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to trandolapril (Jaccard=0.15) aspartame barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking aspartame vs barretts_esophagus targets. Cross-check aspartame pharmacophore against barretts_esophagus pathway. chloroprocaine barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking chloroprocaine vs barretts_esophagus targets. Cross-check chloroprocaine pharmacophore against barretts_esophagus pathway. floctafenine barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking floctafenine vs barretts_esophagus targets. Cross-check floctafenine pharmacophore against barretts_esophagus pathway. indapamide barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking indapamide vs barretts_esophagus targets. Cross-check indapamide pharmacophore against barretts_esophagus pathway. nitrazepam barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking nitrazepam vs barretts_esophagus targets. Cross-check nitrazepam pharmacophore against barretts_esophagus pathway. procaine barretts_esophagus GAP_LOW 0.1573 0.0 pantoprazole Low-priority: Computational docking procaine vs barretts_esophagus targets. Cross-check procaine pharmacophore against barretts_esophagus pathway. propafenone epilepsy_syndrome GAP_HIGH 0.1572 0.5 methocarbamol High-priority: Binding assay propafenone→?; validate in epilepsy_syndrome cell model. Expected: similar to methocarbamol (Jaccard=0.50) betamethasone dilated_cardiomyopathy GAP_HIGH 0.1572 0.47619047619047616 fludrocortisone High-priority: Binding assay betamethasone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to fludrocortisone (Jaccard=0.48) diphemanil_methylsulfate ankylosing_spondylitis GAP_HIGH 0.1572 0.4444444444444444 dimetacrine High-priority: Binding assay diphemanil_methylsulfate→?; validate in ankylosing_spondylitis cell model. Expected: similar to dimetacrine (Jaccard=0.44) acenocoumarol ulcerative_colitis GAP_HIGH 0.1572 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.40) sulfamethizole vaginal_cancer GAP_HIGH 0.1572 0.4 sulfapyridine High-priority: Binding assay sulfamethizole→?; validate in vaginal_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.40) indomethacin stomach_cancer GAP_HIGH 0.1572 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) pralatrexate obesity GAP_HIGH 0.1572 0.3 trimethoprim High-priority: Binding assay pralatrexate→?; validate in obesity cell model. Expected: similar to trimethoprim (Jaccard=0.30) captopril bipolar_disorder GAP_HIGH 0.1572 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) carvedilol vaginal_cancer GAP_HIGH 0.1572 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in vaginal_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) carvedilol vulva_cancer GAP_HIGH 0.1572 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in vulva_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ritodrine thymus_cancer GAP_HIGH 0.1572 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol mediastinal_cancer GAP_HIGH 0.1572 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in mediastinal_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) carvedilol primary_biliary_cirrhosis GAP_HIGH 0.1572 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to docetaxel (Jaccard=0.25) losartan multiple_sclerosis GAP_HIGH 0.1572 0.25 moexipril High-priority: Binding assay losartan→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.25) dinoprostone obesity GAP_HIGH 0.1572 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in obesity cell model. Expected: similar to naloxone (Jaccard=0.22) caffeine testicular_cancer GAP_HIGH 0.1572 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in testicular_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine vaginal_cancer GAP_HIGH 0.1572 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in vaginal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.20) spirapril brain_cancer GAP_HIGH 0.1572 0.16666666666666666 doxorubicin High-priority: Binding assay spirapril→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) spirapril intracranial_aneurysm GAP_HIGH 0.1572 0.16666666666666666 doxorubicin High-priority: Binding assay spirapril→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.17) chlorprothixene vascular_cancer GAP_HIGH 0.1571 0.6 chlorpromazine High-priority: Binding assay chlorprothixene→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.60) clozapine membranous_glomerulonephritis GAP_HIGH 0.1571 0.5 chlorthalidone High-priority: Binding assay clozapine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.50) methotrexate hepatitis_b GAP_HIGH 0.1571 0.42857142857142855 trifluridine High-priority: Binding assay methotrexate→?; validate in hepatitis_b cell model. Expected: similar to trifluridine (Jaccard=0.43) acenocoumarol ovarian_cancer GAP_HIGH 0.1571 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in ovarian_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol uterine_cancer GAP_HIGH 0.1571 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) selegiline crohns_disease GAP_HIGH 0.1571 0.375 phentermine High-priority: Binding assay selegiline→?; validate in crohns_disease cell model. Expected: similar to phentermine (Jaccard=0.38) l-phenylalanine ocular_cancer GAP_HIGH 0.1571 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in ocular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) allylestrenol metabolic_syndrome_x GAP_HIGH 0.1571 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in metabolic_syndrome_x cell model. Expected: similar to dydrogesterone (Jaccard=0.33) orciprenaline coronary_artery_disease GAP_HIGH 0.1571 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.33) tamsulosin azoospermia GAP_HIGH 0.1571 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in azoospermia cell model. Expected: similar to propafenone (Jaccard=0.33) difenoxin celiac_disease GAP_HIGH 0.1571 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) desogestrel penile_cancer GAP_HIGH 0.1571 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in penile_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) mepenzolate gilles_de_la_tourette_syndrome GAP_HIGH 0.1571 0.3 isopropamide High-priority: Binding assay mepenzolate→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.30) moexipril systemic_scleroderma GAP_HIGH 0.1571 0.3 trandolapril High-priority: Binding assay moexipril→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.30) azacitidine penile_cancer GAP_HIGH 0.1571 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) captopril endogenous_depression GAP_HIGH 0.1571 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.27) carvedilol testicular_cancer GAP_HIGH 0.1571 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in testicular_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) gliclazide atherosclerosis GAP_HIGH 0.1571 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.27) carvedilol thymus_cancer GAP_HIGH 0.1571 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in thymus_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) choline germ_cell_cancer GAP_HIGH 0.1571 0.25 diflorasone High-priority: Binding assay choline→?; validate in germ_cell_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) ibuprofen melanoma GAP_HIGH 0.1571 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in melanoma cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine stomach_cancer GAP_HIGH 0.1571 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in stomach_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) metaraminol chronic_kidney_failure GAP_HIGH 0.1571 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in chronic_kidney_failure cell model. Expected: similar to nefazodone (Jaccard=0.25) flutamide thyroid_cancer GAP_HIGH 0.1571 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in thyroid_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) quinapril sclerosing_cholangitis GAP_HIGH 0.1571 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in sclerosing_cholangitis cell model. Expected: similar to irinotecan (Jaccard=0.20) heptabarbital malignant_mesothelioma GAP_HIGH 0.1571 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.17) irbesartan malignant_glioma GAP_HIGH 0.1571 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in malignant_glioma cell model. Expected: similar to vinblastine (Jaccard=0.17) tauroursodeoxycholic_acid restless_legs_syndrome GAP_LOW 0.1571 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs restless_legs_syndrome targets. Cross-check tauroursodeoxycholic_acid pharmacophore against restless_legs_syndrome pathway. sodium_lauryl_sulfate prostate_cancer GAP_LOW 0.1571 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs prostate_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against prostate_cancer pathway. estradiol melanoma GAP_HIGH 0.157 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.54) naproxen gout GAP_HIGH 0.157 0.5 suprofen High-priority: Binding assay naproxen→?; validate in gout cell model. Expected: similar to suprofen (Jaccard=0.50) phenoxybenzamine malignant_mesothelioma GAP_HIGH 0.157 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.42) norelgestromin migraine GAP_HIGH 0.157 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in migraine cell model. Expected: similar to betamethasone (Jaccard=0.33) trilostane kidney_cancer GAP_HIGH 0.157 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in kidney_cancer cell model. Expected: similar to prednisone (Jaccard=0.33) trilostane nephrolithiasis GAP_HIGH 0.157 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in nephrolithiasis cell model. Expected: similar to prednisone (Jaccard=0.33) carvedilol vascular_cancer GAP_HIGH 0.157 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in vascular_cancer cell model. Expected: similar to nilotinib (Jaccard=0.27) ibuprofen duodenum_cancer GAP_HIGH 0.157 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in duodenum_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen gallbladder_cancer GAP_HIGH 0.157 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in gallbladder_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine pancreatic_cancer GAP_HIGH 0.157 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in pancreatic_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine ulcerative_colitis GAP_HIGH 0.157 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in ulcerative_colitis cell model. Expected: similar to raloxifene (Jaccard=0.25) estriol obesity GAP_HIGH 0.157 0.2222222222222222 spironolactone High-priority: Binding assay estriol→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.22) trifluridine metabolic_syndrome_x GAP_HIGH 0.157 0.2222222222222222 trimethoprim High-priority: Binding assay trifluridine→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.22) trimethoprim psoriatic_arthritis GAP_HIGH 0.157 0.21428571428571427 l-carnitine High-priority: Binding assay trimethoprim→?; validate in psoriatic_arthritis cell model. Expected: similar to l-carnitine (Jaccard=0.21) caffeine obesity GAP_HIGH 0.157 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.20) indomethacin leprosy GAP_HIGH 0.157 0.18181818181818182 pomalidomide High-priority: Binding assay indomethacin→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.18) flutamide gilles_de_la_tourette_syndrome GAP_HIGH 0.157 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to butenafine (Jaccard=0.17) tauroursodeoxycholic_acid type_2_diabetes_mellitus GAP_LOW 0.157 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs type_2_diabetes_mellitus targets. Cross-check tauroursodeoxycholic_acid pharmacophore against type_2_diabetes_mellitus pathway. tauroursodeoxycholic_acid vitiligo GAP_LOW 0.157 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs vitiligo targets. Cross-check tauroursodeoxycholic_acid pharmacophore against vitiligo pathway. lubiprostone malignant_mesothelioma GAP_LOW 0.157 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs malignant_mesothelioma targets. Cross-check lubiprostone pharmacophore against malignant_mesothelioma pathway. succinic_acid stomach_cancer GAP_LOW 0.157 0.11764705882352941 vorinostat Low-priority: Computational docking succinic_acid vs stomach_cancer targets. Cross-check succinic_acid pharmacophore against stomach_cancer pathway. dextrothyroxine brain_cancer GAP_LOW 0.157 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs brain_cancer targets. Cross-check dextrothyroxine pharmacophore against brain_cancer pathway. dextrothyroxine intracranial_aneurysm GAP_LOW 0.157 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs intracranial_aneurysm targets. Cross-check dextrothyroxine pharmacophore against intracranial_aneurysm pathway. flurbiprofen focal_segmental_glomerulosclerosis GAP_HIGH 0.1569 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.53) nortriptyline chronic_kidney_failure GAP_HIGH 0.1569 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in chronic_kidney_failure cell model. Expected: similar to doxepin (Jaccard=0.50) suprofen duodenum_cancer GAP_HIGH 0.1569 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.47) suprofen gallbladder_cancer GAP_HIGH 0.1569 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.47) clonazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1569 0.46153846153846156 loxapine High-priority: Binding assay clonazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loxapine (Jaccard=0.46) selegiline systemic_scleroderma GAP_HIGH 0.1569 0.4 phenformin High-priority: Binding assay selegiline→?; validate in systemic_scleroderma cell model. Expected: similar to phenformin (Jaccard=0.40) indomethacin sarcoma GAP_HIGH 0.1569 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in sarcoma cell model. Expected: similar to thalidomide (Jaccard=0.38) indomethacin uterine_cancer GAP_HIGH 0.1569 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) levonorgestrel penile_cancer GAP_HIGH 0.1569 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in penile_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens penile_cancer GAP_HIGH 0.1569 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.33) isocarboxazid colon_cancer GAP_HIGH 0.1569 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in colon_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) nilotinib gout GAP_HIGH 0.1569 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.33) epinephrine coronary_artery_disease GAP_HIGH 0.1569 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine narcolepsy GAP_HIGH 0.1569 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in narcolepsy cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clotiazepam duodenum_cancer GAP_HIGH 0.1569 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) clotiazepam gallbladder_cancer GAP_HIGH 0.1569 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) zolpidem sclerosing_cholangitis GAP_HIGH 0.1569 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.27) l-carnitine uterine_cancer GAP_HIGH 0.1569 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in uterine_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) quinestrol metabolic_syndrome_x GAP_HIGH 0.1569 0.25 testosterone_propionate High-priority: Binding assay quinestrol→?; validate in metabolic_syndrome_x cell model. Expected: similar to testosterone_propionate (Jaccard=0.25) methsuximide atherosclerosis GAP_HIGH 0.1569 0.20588235294117646 flurbiprofen High-priority: Binding assay methsuximide→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.21) spirapril breast_cancer GAP_HIGH 0.1569 0.2 topotecan High-priority: Binding assay spirapril→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) aminoglutethimide malignant_mesothelioma GAP_HIGH 0.1569 0.17647058823529413 warfarin High-priority: Binding assay aminoglutethimide→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.18) irbesartan nephrolithiasis GAP_HIGH 0.1569 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in nephrolithiasis cell model. Expected: similar to vinblastine (Jaccard=0.17) sodium_lauryl_sulfate mediastinal_cancer GAP_LOW 0.1569 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs mediastinal_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against mediastinal_cancer pathway. methacholine dilated_cardiomyopathy GAP_LOW 0.1569 0.06666666666666667 rimexolone Low-priority: Computational docking methacholine vs dilated_cardiomyopathy targets. Cross-check methacholine pharmacophore against dilated_cardiomyopathy pathway. moricizine psoriatic_arthritis GAP_HIGH 0.1568 0.5 thioproperazine High-priority: Binding assay moricizine→?; validate in psoriatic_arthritis cell model. Expected: similar to thioproperazine (Jaccard=0.50) l-histidine systemic_lupus_erythematosus GAP_HIGH 0.1568 0.4 penicillamine High-priority: Binding assay l-histidine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.40) antazoline malignant_mesothelioma GAP_HIGH 0.1568 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.38) danazol malignant_glioma GAP_HIGH 0.1568 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in malignant_glioma cell model. Expected: similar to spironolactone (Jaccard=0.36) l-phenylalanine peripheral_nervous_system_neoplasm GAP_HIGH 0.1568 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lacosamide (Jaccard=0.36) l-phenylalanine urinary_bladder_cancer GAP_HIGH 0.1568 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) trilostane celiac_disease GAP_HIGH 0.1568 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in celiac_disease cell model. Expected: similar to prednisone (Jaccard=0.33) tamsulosin glaucoma GAP_HIGH 0.1568 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in glaucoma cell model. Expected: similar to propranolol (Jaccard=0.32) arformoterol penile_cancer GAP_HIGH 0.1568 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) l-carnitine sarcoma GAP_HIGH 0.1568 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.25) aminoglutethimide skin_cancer GAP_HIGH 0.1568 0.2 diclofenac High-priority: Binding assay aminoglutethimide→?; validate in skin_cancer cell model. Expected: similar to diclofenac (Jaccard=0.20) flutamide pancreatitis GAP_HIGH 0.1568 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in pancreatitis cell model. Expected: similar to paclitaxel (Jaccard=0.20) spirapril colon_cancer GAP_HIGH 0.1568 0.2 topotecan High-priority: Binding assay spirapril→?; validate in colon_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) spirapril stomach_cancer GAP_HIGH 0.1568 0.2 topotecan High-priority: Binding assay spirapril→?; validate in stomach_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) zolmitriptan chronic_kidney_failure GAP_HIGH 0.1568 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in chronic_kidney_failure cell model. Expected: similar to eletriptan (Jaccard=0.18) labetalol thyroid_cancer GAP_HIGH 0.1568 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.18) equilin focal_segmental_glomerulosclerosis GAP_LOW 0.1568 0.11764705882352941 dimetacrine Low-priority: Computational docking equilin vs focal_segmental_glomerulosclerosis targets. Cross-check equilin pharmacophore against focal_segmental_glomerulosclerosis pathway. chlordiazepoxide ulcerative_colitis GAP_HIGH 0.1567 0.5555555555555556 diazepam High-priority: Binding assay chlordiazepoxide→?; validate in ulcerative_colitis cell model. Expected: similar to diazepam (Jaccard=0.56) imipramine membranous_glomerulonephritis GAP_HIGH 0.1567 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.38) danazol kidney_cancer GAP_HIGH 0.1567 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) allylestrenol obesity GAP_HIGH 0.1567 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in obesity cell model. Expected: similar to dydrogesterone (Jaccard=0.33) flurazepam chronic_kidney_failure GAP_HIGH 0.1567 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to midazolam (Jaccard=0.33) pralatrexate restless_legs_syndrome GAP_HIGH 0.1567 0.3 trimethoprim High-priority: Binding assay pralatrexate→?; validate in restless_legs_syndrome cell model. Expected: similar to trimethoprim (Jaccard=0.30) carvedilol uterine_fibroid GAP_HIGH 0.1567 0.2727272727272727 nilotinib High-priority: Binding assay carvedilol→?; validate in uterine_fibroid cell model. Expected: similar to nilotinib (Jaccard=0.27) ibuprofen sclerosing_cholangitis GAP_HIGH 0.1567 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in sclerosing_cholangitis cell model. Expected: similar to paclitaxel (Jaccard=0.25) papaverine salivary_gland_cancer GAP_HIGH 0.1567 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) flutamide salivary_gland_cancer GAP_HIGH 0.1567 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in salivary_gland_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) spirapril pancreatic_cancer GAP_HIGH 0.1567 0.2 topotecan High-priority: Binding assay spirapril→?; validate in pancreatic_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) emtricitabine larynx_cancer GAP_HIGH 0.1567 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in larynx_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) dinoprost_tromethamine sclerosing_cholangitis GAP_HIGH 0.1567 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to pazopanib (Jaccard=0.15) aminoglutethimide hepatitis_b GAP_LOW 0.1567 0.14285714285714285 mitiglinide Low-priority: Computational docking aminoglutethimide vs hepatitis_b targets. Cross-check aminoglutethimide pharmacophore against hepatitis_b pathway. sodium_lauryl_sulfate skin_cancer GAP_LOW 0.1567 0.14285714285714285 succinylcholine Low-priority: Computational docking sodium_lauryl_sulfate vs skin_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against skin_cancer pathway. sodium_lauryl_sulfate thymus_cancer GAP_LOW 0.1567 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs thymus_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against thymus_cancer pathway. zolmitriptan alcohol_dependence GAP_LOW 0.1567 0.1 temazepam Low-priority: Computational docking zolmitriptan vs alcohol_dependence targets. Cross-check zolmitriptan pharmacophore against alcohol_dependence pathway. doxycycline lymphatic_system_cancer GAP_LOW 0.1567 0.08333333333333333 streptozocin Low-priority: Computational docking doxycycline vs lymphatic_system_cancer targets. Cross-check doxycycline pharmacophore against lymphatic_system_cancer pathway. estradiol sclerosing_cholangitis GAP_HIGH 0.1566 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.54) acenocoumarol vaginal_cancer GAP_HIGH 0.1566 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) acenocoumarol vulva_cancer GAP_HIGH 0.1566 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) bromodiphenhydramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1566 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.40) mestranol meningioma GAP_HIGH 0.1566 0.4 estrone High-priority: Binding assay mestranol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.40) danazol nephrolithiasis GAP_HIGH 0.1566 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in nephrolithiasis cell model. Expected: similar to spironolactone (Jaccard=0.36) isocarboxazid osteoporosis GAP_HIGH 0.1566 0.3333333333333333 dextroamphetamine High-priority: Binding assay isocarboxazid→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.33) isocarboxazid ovarian_cancer GAP_HIGH 0.1566 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in ovarian_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) isocarboxazid uterine_cancer GAP_HIGH 0.1566 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in uterine_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) norelgestromin metabolic_syndrome_x GAP_HIGH 0.1566 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in metabolic_syndrome_x cell model. Expected: similar to betamethasone (Jaccard=0.33) prazepam lung_cancer GAP_HIGH 0.1566 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in lung_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) prazepam rectum_cancer GAP_HIGH 0.1566 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in rectum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) papaverine sclerosing_cholangitis GAP_HIGH 0.1566 0.23076923076923078 diphenylpyraline High-priority: Binding assay papaverine→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) benazepril asthma GAP_HIGH 0.1566 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.22) benazepril panic_disorder GAP_HIGH 0.1566 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.22) benazepril schizophrenia GAP_HIGH 0.1566 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.22) dinoprostone polycystic_ovary_syndrome GAP_HIGH 0.1566 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to naloxone (Jaccard=0.22) dinoprostone type_2_diabetes_mellitus GAP_HIGH 0.1566 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to naloxone (Jaccard=0.22) trifluridine obesity GAP_HIGH 0.1566 0.2222222222222222 trimethoprim High-priority: Binding assay trifluridine→?; validate in obesity cell model. Expected: similar to trimethoprim (Jaccard=0.22) captopril hepatitis_b GAP_HIGH 0.1566 0.2 glucosamine High-priority: Binding assay captopril→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.20) flutamide muscle_cancer GAP_HIGH 0.1566 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in muscle_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) carboprost_tromethamine germ_cell_cancer GAP_HIGH 0.1566 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.15) sodium_lauryl_sulfate hematologic_cancer GAP_LOW 0.1566 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs hematologic_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against hematologic_cancer pathway. goserelin barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking goserelin vs barretts_esophagus targets. Cross-check goserelin pharmacophore against barretts_esophagus pathway. lapatinib barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking lapatinib vs barretts_esophagus targets. Cross-check lapatinib pharmacophore against barretts_esophagus pathway. methadyl_acetate barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking methadyl_acetate vs barretts_esophagus targets. Cross-check methadyl_acetate pharmacophore against barretts_esophagus pathway. oxcarbazepine barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking oxcarbazepine vs barretts_esophagus targets. Cross-check oxcarbazepine pharmacophore against barretts_esophagus pathway. phenindione barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking phenindione vs barretts_esophagus targets. Cross-check phenindione pharmacophore against barretts_esophagus pathway. phenoxybenzamine barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking phenoxybenzamine vs barretts_esophagus targets. Cross-check phenoxybenzamine pharmacophore against barretts_esophagus pathway. sulfadiazine barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking sulfadiazine vs barretts_esophagus targets. Cross-check sulfadiazine pharmacophore against barretts_esophagus pathway. sulfaphenazole barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking sulfaphenazole vs barretts_esophagus targets. Cross-check sulfaphenazole pharmacophore against barretts_esophagus pathway. trandolapril barretts_esophagus GAP_LOW 0.1566 0.0 pantoprazole Low-priority: Computational docking trandolapril vs barretts_esophagus targets. Cross-check trandolapril pharmacophore against barretts_esophagus pathway. suprofen creutzfeldt-jakob_disease GAP_HIGH 0.1565 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.47) acenocoumarol testicular_cancer GAP_HIGH 0.1565 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.40) aceprometazine pancreatitis GAP_HIGH 0.1565 0.4 mepenzolate High-priority: Binding assay aceprometazine→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.40) selegiline polycystic_ovary_syndrome GAP_HIGH 0.1565 0.4 phenformin High-priority: Binding assay selegiline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenformin (Jaccard=0.40) nitrazepam chronic_kidney_failure GAP_HIGH 0.1565 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in chronic_kidney_failure cell model. Expected: similar to midazolam (Jaccard=0.38) isocarboxazid sarcoma GAP_HIGH 0.1565 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in sarcoma cell model. Expected: similar to l-tryptophan (Jaccard=0.33) arformoterol malignant_mesothelioma GAP_HIGH 0.1565 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline penile_cancer GAP_HIGH 0.1565 0.25 vincristine High-priority: Binding assay choline→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) cytarabine colon_cancer GAP_HIGH 0.1565 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) quinestrol obesity GAP_HIGH 0.1565 0.25 testosterone_propionate High-priority: Binding assay quinestrol→?; validate in obesity cell model. Expected: similar to testosterone_propionate (Jaccard=0.25) benazepril allergic_rhinitis GAP_HIGH 0.1565 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.22) dinoprostone vitiligo GAP_HIGH 0.1565 0.2222222222222222 epinephrine High-priority: Binding assay dinoprostone→?; validate in vitiligo cell model. Expected: similar to epinephrine (Jaccard=0.22) flutamide rectum_cancer GAP_HIGH 0.1565 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in rectum_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) treprostinil narcolepsy GAP_HIGH 0.1565 0.2 lisdexamfetamine High-priority: Binding assay treprostinil→?; validate in narcolepsy cell model. Expected: similar to lisdexamfetamine (Jaccard=0.20) labetalol pancreatitis GAP_HIGH 0.1565 0.17647058823529413 trimipramine High-priority: Binding assay labetalol→?; validate in pancreatitis cell model. Expected: similar to trimipramine (Jaccard=0.18) amobarbital mediastinal_cancer GAP_HIGH 0.1565 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) tauroursodeoxycholic_acid psoriatic_arthritis GAP_LOW 0.1565 0.14285714285714285 calcidiol Low-priority: Computational docking tauroursodeoxycholic_acid vs psoriatic_arthritis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against psoriatic_arthritis pathway. estriol dilated_cardiomyopathy GAP_LOW 0.1565 0.1111111111111111 progesterone Low-priority: Computational docking estriol vs dilated_cardiomyopathy targets. Cross-check estriol pharmacophore against dilated_cardiomyopathy pathway. sodium_lauryl_sulfate brain_cancer GAP_LOW 0.1565 0.1 alendronate Low-priority: Computational docking sodium_lauryl_sulfate vs brain_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against brain_cancer pathway. sodium_lauryl_sulfate intracranial_aneurysm GAP_LOW 0.1565 0.1 alendronate Low-priority: Computational docking sodium_lauryl_sulfate vs intracranial_aneurysm targets. Cross-check sodium_lauryl_sulfate pharmacophore against intracranial_aneurysm pathway. sodium_tetradecyl_sulfate atherosclerosis GAP_LOW 0.1565 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs atherosclerosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against atherosclerosis pathway. amoxapine gout GAP_HIGH 0.1564 0.46153846153846156 methdilazine High-priority: Binding assay amoxapine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.46) indomethacin vaginal_cancer GAP_HIGH 0.1564 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in vaginal_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) indomethacin vulva_cancer GAP_HIGH 0.1564 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in vulva_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) danazol celiac_disease GAP_HIGH 0.1564 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in celiac_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) l-phenylalanine breast_cancer GAP_HIGH 0.1564 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in breast_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) prazepam liver_cancer GAP_HIGH 0.1564 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in liver_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) chlorpropamide atherosclerosis GAP_HIGH 0.1564 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in atherosclerosis cell model. Expected: similar to bezafibrate (Jaccard=0.26) ibuprofen pharynx_cancer GAP_HIGH 0.1564 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in pharynx_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) papaverine ocular_cancer GAP_HIGH 0.1564 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) papaverine rectum_cancer GAP_HIGH 0.1564 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) glutethimide rectum_cancer GAP_HIGH 0.1564 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.23) carvedilol type_1_diabetes_mellitus GAP_HIGH 0.1564 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to gliclazide (Jaccard=0.21) clenbuterol lung_cancer GAP_HIGH 0.1564 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in lung_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol rectum_cancer GAP_HIGH 0.1564 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in rectum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) caffeine polycystic_ovary_syndrome GAP_HIGH 0.1564 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.20) caffeine type_2_diabetes_mellitus GAP_HIGH 0.1564 0.2 raloxifene High-priority: Binding assay caffeine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.20) flutamide ocular_cancer GAP_HIGH 0.1564 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in ocular_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) valsartan type_1_diabetes_mellitus GAP_HIGH 0.1564 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tolbutamide (Jaccard=0.18) amobarbital thymus_cancer GAP_HIGH 0.1564 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) epoprostenol brain_cancer GAP_HIGH 0.1564 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in brain_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol intracranial_aneurysm GAP_HIGH 0.1564 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.15) clonazepam crohns_disease GAP_HIGH 0.1563 0.44 azelastine High-priority: Binding assay clonazepam→?; validate in crohns_disease cell model. Expected: similar to azelastine (Jaccard=0.44) indomethacin testicular_cancer GAP_HIGH 0.1563 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) orciprenaline melanoma GAP_HIGH 0.1563 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.33) chlorpropamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1563 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.32) azacitidine meningioma GAP_HIGH 0.1563 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.29) quinacrine mediastinal_cancer GAP_HIGH 0.1563 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) ritodrine melanoma GAP_HIGH 0.1563 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.27) amphetamine ankylosing_spondylitis GAP_HIGH 0.1563 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) choline malignant_mesothelioma GAP_HIGH 0.1563 0.25 vincristine High-priority: Binding assay choline→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.25) l-carnitine testicular_cancer GAP_HIGH 0.1563 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in testicular_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine vaginal_cancer GAP_HIGH 0.1563 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in vaginal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.25) lenalidomide dilated_cardiomyopathy GAP_HIGH 0.1563 0.25 milrinone High-priority: Binding assay lenalidomide→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) nimodipine azoospermia GAP_HIGH 0.1563 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in azoospermia cell model. Expected: similar to ifenprodil (Jaccard=0.23) clenbuterol liver_cancer GAP_HIGH 0.1563 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in liver_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) tofisopam celiac_disease GAP_HIGH 0.1563 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) methylphenobarbital mediastinal_cancer GAP_HIGH 0.1563 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.21) flutamide liver_cancer GAP_HIGH 0.1563 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in liver_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) l-arginine hepatitis_b GAP_HIGH 0.1563 0.2 glucosamine High-priority: Binding assay l-arginine→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.20) alpha-linolenic_acid larynx_cancer GAP_LOW 0.1563 0.07142857142857142 docetaxel Low-priority: Computational docking alpha-linolenic_acid vs larynx_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against larynx_cancer pathway. zuclopenthixol skin_cancer GAP_HIGH 0.1562 0.5909090909090909 thiothixene High-priority: Binding assay zuclopenthixol→?; validate in skin_cancer cell model. Expected: similar to thiothixene (Jaccard=0.59) cortisone_acetate restless_legs_syndrome GAP_HIGH 0.1562 0.46153846153846156 medrysone High-priority: Binding assay cortisone_acetate→?; validate in restless_legs_syndrome cell model. Expected: similar to medrysone (Jaccard=0.46) l-histidine systemic_scleroderma GAP_HIGH 0.1562 0.4 penicillamine High-priority: Binding assay l-histidine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.40) orphenadrine malignant_mesothelioma GAP_HIGH 0.1562 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.40) indomethacin vascular_cancer GAP_HIGH 0.1562 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in vascular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.38) selegiline coronary_artery_disease GAP_HIGH 0.1562 0.375 phentermine High-priority: Binding assay selegiline→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.38) sulfaphenazole restless_legs_syndrome GAP_HIGH 0.1562 0.375 olsalazine High-priority: Binding assay sulfaphenazole→?; validate in restless_legs_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.38) l-phenylalanine pancreatic_cancer GAP_HIGH 0.1562 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in pancreatic_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) l-phenylalanine ulcerative_colitis GAP_HIGH 0.1562 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in ulcerative_colitis cell model. Expected: similar to lacosamide (Jaccard=0.36) allylestrenol restless_legs_syndrome GAP_HIGH 0.1562 0.3333333333333333 dydrogesterone High-priority: Binding assay allylestrenol→?; validate in restless_legs_syndrome cell model. Expected: similar to dydrogesterone (Jaccard=0.33) norelgestromin obesity GAP_HIGH 0.1562 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in obesity cell model. Expected: similar to betamethasone (Jaccard=0.33) orciprenaline duodenum_cancer GAP_HIGH 0.1562 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in duodenum_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) orciprenaline gallbladder_cancer GAP_HIGH 0.1562 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in gallbladder_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) ritodrine duodenum_cancer GAP_HIGH 0.1562 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine gallbladder_cancer GAP_HIGH 0.1562 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) amlodipine creutzfeldt-jakob_disease GAP_HIGH 0.1562 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) cytarabine osteoporosis GAP_HIGH 0.1562 0.25 ribavirin High-priority: Binding assay cytarabine→?; validate in osteoporosis cell model. Expected: similar to ribavirin (Jaccard=0.25) cytarabine ovarian_cancer GAP_HIGH 0.1562 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in ovarian_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.25) glutethimide liver_cancer GAP_HIGH 0.1562 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.23) benazepril migraine GAP_HIGH 0.1562 0.2222222222222222 lisinopril High-priority: Binding assay benazepril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.22) methylphenobarbital thymus_cancer GAP_HIGH 0.1562 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.21) quinapril pancreatitis GAP_HIGH 0.1562 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in pancreatitis cell model. Expected: similar to irinotecan (Jaccard=0.20) streptozocin hepatitis_b GAP_HIGH 0.1562 0.1875 ribavirin High-priority: Binding assay streptozocin→?; validate in hepatitis_b cell model. Expected: similar to ribavirin (Jaccard=0.19) spirapril nephrolithiasis GAP_HIGH 0.1562 0.16666666666666666 doxorubicin High-priority: Binding assay spirapril→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.17) streptozocin acquired_immunodeficiency_syndrome GAP_HIGH 0.1562 0.15789473684210525 vidarabine High-priority: Binding assay streptozocin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to vidarabine (Jaccard=0.16) primidone chronic_kidney_failure GAP_HIGH 0.1562 0.15384615384615385 clotrimazole High-priority: Binding assay primidone→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.15) talbutal refractive_error GAP_LOW 0.1562 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs refractive_error targets. Cross-check talbutal pharmacophore against refractive_error pathway. dinoprost_tromethamine alopecia_areata GAP_LOW 0.1562 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs alopecia_areata targets. Cross-check dinoprost_tromethamine pharmacophore against alopecia_areata pathway. eprosartan acquired_immunodeficiency_syndrome GAP_LOW 0.1562 0.125 alvimopan Low-priority: Computational docking eprosartan vs acquired_immunodeficiency_syndrome targets. Cross-check eprosartan pharmacophore against acquired_immunodeficiency_syndrome pathway. methacholine malaria GAP_LOW 0.1562 0.09090909090909091 sulfamethizole Low-priority: Computational docking methacholine vs malaria targets. Cross-check methacholine pharmacophore against malaria pathway. chlorprothixene malaria GAP_HIGH 0.1561 0.5 butabarbital High-priority: Binding assay chlorprothixene→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.50) phenoxybenzamine crohns_disease GAP_HIGH 0.1561 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.42) acenocoumarol uterine_fibroid GAP_HIGH 0.1561 0.4 clobazam High-priority: Binding assay acenocoumarol→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.40) l-phenylalanine psoriasis GAP_HIGH 0.1561 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in psoriasis cell model. Expected: similar to lacosamide (Jaccard=0.36) l-phenylalanine uterine_cancer GAP_HIGH 0.1561 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) conjugated_estrogens meningioma GAP_HIGH 0.1561 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.33) aspartame hepatitis_b GAP_HIGH 0.1561 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.29) quinacrine thymus_cancer GAP_HIGH 0.1561 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) carvedilol duodenum_cancer GAP_HIGH 0.1561 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in duodenum_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) carvedilol gallbladder_cancer GAP_HIGH 0.1561 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in gallbladder_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) cyproheptadine dilated_cardiomyopathy GAP_HIGH 0.1561 0.25 milrinone High-priority: Binding assay cyproheptadine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.25) ibuprofen thyroid_cancer GAP_HIGH 0.1561 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in thyroid_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine obesity GAP_HIGH 0.1561 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in obesity cell model. Expected: similar to raloxifene (Jaccard=0.25) remifentanil thyroid_cancer GAP_HIGH 0.1561 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) papaverine peripheral_nervous_system_neoplasm GAP_HIGH 0.1561 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.24) papaverine ankylosing_spondylitis GAP_HIGH 0.1561 0.23076923076923078 diphenylpyraline High-priority: Binding assay papaverine→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) dinoprostone psoriatic_arthritis GAP_HIGH 0.1561 0.2222222222222222 naloxone High-priority: Binding assay dinoprostone→?; validate in psoriatic_arthritis cell model. Expected: similar to naloxone (Jaccard=0.22) trifluridine restless_legs_syndrome GAP_HIGH 0.1561 0.2222222222222222 trimethoprim High-priority: Binding assay trifluridine→?; validate in restless_legs_syndrome cell model. Expected: similar to trimethoprim (Jaccard=0.22) flutamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1561 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to paclitaxel (Jaccard=0.20) benzthiazide kidney_cancer GAP_HIGH 0.1561 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) aminophenazone germ_cell_cancer GAP_LOW 0.1561 0.14285714285714285 raloxifene Low-priority: Computational docking aminophenazone vs germ_cell_cancer targets. Cross-check aminophenazone pharmacophore against germ_cell_cancer pathway. captopril gestational_diabetes GAP_LOW 0.1561 0.11764705882352941 gliclazide Low-priority: Computational docking captopril vs gestational_diabetes targets. Cross-check captopril pharmacophore against gestational_diabetes pathway. dinoprost_tromethamine atherosclerosis GAP_LOW 0.1561 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs atherosclerosis targets. Cross-check dinoprost_tromethamine pharmacophore against atherosclerosis pathway. dextrothyroxine malignant_glioma GAP_LOW 0.1561 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs malignant_glioma targets. Cross-check dextrothyroxine pharmacophore against malignant_glioma pathway. estradiol thyroid_cancer GAP_HIGH 0.156 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.54) azatadine gilles_de_la_tourette_syndrome GAP_HIGH 0.156 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to temazepam (Jaccard=0.43) l-phenylalanine sarcoma GAP_HIGH 0.156 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.36) isocarboxazid testicular_cancer GAP_HIGH 0.156 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in testicular_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) isocarboxazid vaginal_cancer GAP_HIGH 0.156 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in vaginal_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) isocarboxazid vulva_cancer GAP_HIGH 0.156 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in vulva_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) arformoterol meningioma GAP_HIGH 0.156 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.27) glutethimide peripheral_nervous_system_neoplasm GAP_HIGH 0.156 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.23) caffeine pharynx_cancer GAP_HIGH 0.156 0.18181818181818182 bimatoprost High-priority: Binding assay caffeine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.18) glutethimide focal_segmental_glomerulosclerosis GAP_HIGH 0.156 0.18181818181818182 chlorprothixene High-priority: Binding assay glutethimide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.18) pyrimethamine glaucoma GAP_HIGH 0.156 0.16666666666666666 dinoprost_tromethamine High-priority: Binding assay pyrimethamine→?; validate in glaucoma cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.17) carboprost_tromethamine penile_cancer GAP_HIGH 0.156 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.15) pyrimethamine alcohol_dependence GAP_LOW 0.156 0.1111111111111111 naloxone Low-priority: Computational docking pyrimethamine vs alcohol_dependence targets. Cross-check pyrimethamine pharmacophore against alcohol_dependence pathway. dextrothyroxine kidney_cancer GAP_LOW 0.156 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs kidney_cancer targets. Cross-check dextrothyroxine pharmacophore against kidney_cancer pathway. bepridil thyroid_cancer GAP_HIGH 0.1559 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) glucosamine thyroid_cancer GAP_HIGH 0.1559 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.46) clonazepam prostate_cancer GAP_HIGH 0.1559 0.44 azelastine High-priority: Binding assay clonazepam→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) tolmetin type_1_diabetes_mellitus GAP_HIGH 0.1559 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.39) indomethacin uterine_fibroid GAP_HIGH 0.1559 0.375 thalidomide High-priority: Binding assay indomethacin→?; validate in uterine_fibroid cell model. Expected: similar to thalidomide (Jaccard=0.38) cyproterone_acetate malignant_mesothelioma GAP_HIGH 0.1559 0.3333333333333333 fludrocortisone High-priority: Binding assay cyproterone_acetate→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.33) isocarboxazid vascular_cancer GAP_HIGH 0.1559 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in vascular_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.33) orciprenaline creutzfeldt-jakob_disease GAP_HIGH 0.1559 0.3333333333333333 phenylephrine High-priority: Binding assay orciprenaline→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.33) orciprenaline sclerosing_cholangitis GAP_HIGH 0.1559 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.33) sulfadiazine glaucoma GAP_HIGH 0.1559 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in glaucoma cell model. Expected: similar to olsalazine (Jaccard=0.33) dasatinib celiac_disease GAP_HIGH 0.1559 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.32) ritodrine sclerosing_cholangitis GAP_HIGH 0.1559 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) isocarboxazid acquired_immunodeficiency_syndrome GAP_HIGH 0.1559 0.25 mitiglinide High-priority: Binding assay isocarboxazid→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.25) losartan restless_legs_syndrome GAP_HIGH 0.1559 0.25 moexipril High-priority: Binding assay losartan→?; validate in restless_legs_syndrome cell model. Expected: similar to moexipril (Jaccard=0.25) captopril larynx_cancer GAP_HIGH 0.1559 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) ceruletide mediastinal_cancer GAP_HIGH 0.1559 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in mediastinal_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) ceruletide primary_biliary_cirrhosis GAP_HIGH 0.1559 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to goserelin (Jaccard=0.20) quinapril rectum_cancer GAP_HIGH 0.1559 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in rectum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) dextrothyroxine nephrolithiasis GAP_LOW 0.1559 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs nephrolithiasis targets. Cross-check dextrothyroxine pharmacophore against nephrolithiasis pathway. doxycycline atherosclerosis GAP_LOW 0.1559 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs atherosclerosis targets. Cross-check doxycycline pharmacophore against atherosclerosis pathway. talbutal alcohol_dependence GAP_LOW 0.1559 0.07142857142857142 levorphanol Low-priority: Computational docking talbutal vs alcohol_dependence targets. Cross-check talbutal pharmacophore against alcohol_dependence pathway. antipyrine hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking antipyrine vs hypothyroidism targets. Cross-check antipyrine pharmacophore against hypothyroidism pathway. bevantolol barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking bevantolol vs barretts_esophagus targets. Cross-check bevantolol pharmacophore against barretts_esophagus pathway. colchicine hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking colchicine vs hypothyroidism targets. Cross-check colchicine pharmacophore against hypothyroidism pathway. cyproterone_acetate barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking cyproterone_acetate vs barretts_esophagus targets. Cross-check cyproterone_acetate pharmacophore against barretts_esophagus pathway. dyphylline hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking dyphylline vs hypothyroidism targets. Cross-check dyphylline pharmacophore against hypothyroidism pathway. fenbufen hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking fenbufen vs hypothyroidism targets. Cross-check fenbufen pharmacophore against hypothyroidism pathway. ketazolam hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking ketazolam vs hypothyroidism targets. Cross-check ketazolam pharmacophore against hypothyroidism pathway. melatonin hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking melatonin vs hypothyroidism targets. Cross-check melatonin pharmacophore against hypothyroidism pathway. methsuximide hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking methsuximide vs hypothyroidism targets. Cross-check methsuximide pharmacophore against hypothyroidism pathway. metoclopramide barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking metoclopramide vs barretts_esophagus targets. Cross-check metoclopramide pharmacophore against barretts_esophagus pathway. midazolam barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking midazolam vs barretts_esophagus targets. Cross-check midazolam pharmacophore against barretts_esophagus pathway. midodrine hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking midodrine vs hypothyroidism targets. Cross-check midodrine pharmacophore against hypothyroidism pathway. moexipril hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking moexipril vs hypothyroidism targets. Cross-check moexipril pharmacophore against hypothyroidism pathway. polythiazide hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking polythiazide vs hypothyroidism targets. Cross-check polythiazide pharmacophore against hypothyroidism pathway. prazepam hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking prazepam vs hypothyroidism targets. Cross-check prazepam pharmacophore against hypothyroidism pathway. procainamide barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking procainamide vs barretts_esophagus targets. Cross-check procainamide pharmacophore against barretts_esophagus pathway. theophylline hypothyroidism GAP_LOW 0.1559 0.0 methimazole Low-priority: Computational docking theophylline vs hypothyroidism targets. Cross-check theophylline pharmacophore against hypothyroidism pathway. vismodegib barretts_esophagus GAP_LOW 0.1559 0.0 pantoprazole Low-priority: Computational docking vismodegib vs barretts_esophagus targets. Cross-check vismodegib pharmacophore against barretts_esophagus pathway. diphenhydramine membranous_glomerulonephritis GAP_HIGH 0.1558 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.63) pheniramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1558 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clofedanol (Jaccard=0.53) acenocoumarol ankylosing_spondylitis GAP_HIGH 0.1558 0.38461538461538464 fenbufen High-priority: Binding assay acenocoumarol→?; validate in ankylosing_spondylitis cell model. Expected: similar to fenbufen (Jaccard=0.38) levonorgestrel crohns_disease GAP_HIGH 0.1558 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in crohns_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine celiac_disease GAP_HIGH 0.1558 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in celiac_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.36) conjugated_estrogens crohns_disease GAP_HIGH 0.1558 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.33) nandrolone_phenpropionate metabolic_syndrome_x GAP_HIGH 0.1558 0.3333333333333333 eplerenone High-priority: Binding assay nandrolone_phenpropionate→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.33) captopril restless_legs_syndrome GAP_HIGH 0.1558 0.2727272727272727 l-arginine High-priority: Binding assay captopril→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.27) carvedilol sclerosing_cholangitis GAP_HIGH 0.1558 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in sclerosing_cholangitis cell model. Expected: similar to docetaxel (Jaccard=0.25) ibuprofen pancreatitis GAP_HIGH 0.1558 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in pancreatitis cell model. Expected: similar to paclitaxel (Jaccard=0.25) ceruletide thymus_cancer GAP_HIGH 0.1558 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in thymus_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) dopamine dilated_cardiomyopathy GAP_HIGH 0.1558 0.2 milrinone High-priority: Binding assay dopamine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.20) aprobarbital malignant_mesothelioma GAP_HIGH 0.1558 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.17) benzthiazide celiac_disease GAP_HIGH 0.1558 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.17) butethal malignant_mesothelioma GAP_HIGH 0.1558 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.17) primidone crohns_disease GAP_HIGH 0.1558 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.17) dinoprost_tromethamine pancreatitis GAP_HIGH 0.1558 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in pancreatitis cell model. Expected: similar to pazopanib (Jaccard=0.15) rimexolone barretts_esophagus GAP_LOW 0.1558 0.07692307692307693 pantoprazole Low-priority: Computational docking rimexolone vs barretts_esophagus targets. Cross-check rimexolone pharmacophore against barretts_esophagus pathway. nortriptyline azoospermia GAP_HIGH 0.1557 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in azoospermia cell model. Expected: similar to doxepin (Jaccard=0.50) phenformin pancreatitis GAP_HIGH 0.1557 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) norelgestromin restless_legs_syndrome GAP_HIGH 0.1557 0.3333333333333333 betamethasone High-priority: Binding assay norelgestromin→?; validate in restless_legs_syndrome cell model. Expected: similar to betamethasone (Jaccard=0.33) epinephrine creutzfeldt-jakob_disease GAP_HIGH 0.1557 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine sclerosing_cholangitis GAP_HIGH 0.1557 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) arformoterol crohns_disease GAP_HIGH 0.1557 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.27) prazepam stomach_cancer GAP_HIGH 0.1557 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in stomach_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) choline meningioma GAP_HIGH 0.1557 0.25 diflorasone High-priority: Binding assay choline→?; validate in meningioma cell model. Expected: similar to diflorasone (Jaccard=0.25) cytarabine osteoarthritis GAP_HIGH 0.1557 0.25 ribavirin High-priority: Binding assay cytarabine→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.25) ibuprofen salivary_gland_cancer GAP_HIGH 0.1557 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) remifentanil muscle_cancer GAP_HIGH 0.1557 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) clenbuterol asthma GAP_HIGH 0.1557 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.21) isradipine brain_cancer GAP_HIGH 0.1557 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in brain_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine intracranial_aneurysm GAP_HIGH 0.1557 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in intracranial_aneurysm cell model. Expected: similar to desoximetasone (Jaccard=0.20) quinapril liver_cancer GAP_HIGH 0.1557 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in liver_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) ranolazine kidney_cancer GAP_HIGH 0.1557 0.1875 clofibrate High-priority: Binding assay ranolazine→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.19) heptabarbital mediastinal_cancer GAP_HIGH 0.1557 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) sulpiride dilated_cardiomyopathy GAP_LOW 0.1557 0.13333333333333333 trandolapril Low-priority: Computational docking sulpiride vs dilated_cardiomyopathy targets. Cross-check sulpiride pharmacophore against dilated_cardiomyopathy pathway. lubiprostone prostate_cancer GAP_LOW 0.1557 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs prostate_cancer targets. Cross-check lubiprostone pharmacophore against prostate_cancer pathway. trimethoprim acquired_immunodeficiency_syndrome GAP_LOW 0.1557 0.11764705882352941 floxuridine Low-priority: Computational docking trimethoprim vs acquired_immunodeficiency_syndrome targets. Cross-check trimethoprim pharmacophore against acquired_immunodeficiency_syndrome pathway. betamethasone barretts_esophagus GAP_LOW 0.1557 0.07142857142857142 pantoprazole Low-priority: Computational docking betamethasone vs barretts_esophagus targets. Cross-check betamethasone pharmacophore against barretts_esophagus pathway. naproxen sclerosing_cholangitis GAP_HIGH 0.1556 0.5 suprofen High-priority: Binding assay naproxen→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.50) clonazepam membranous_glomerulonephritis GAP_HIGH 0.1556 0.4230769230769231 chlorprothixene High-priority: Binding assay clonazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.42) probenecid azoospermia GAP_HIGH 0.1556 0.3888888888888889 procaine High-priority: Binding assay probenecid→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.39) l-phenylalanine osteoarthritis GAP_HIGH 0.1556 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in osteoarthritis cell model. Expected: similar to lacosamide (Jaccard=0.36) isocarboxazid uterine_fibroid GAP_HIGH 0.1556 0.3333333333333333 l-tryptophan High-priority: Binding assay isocarboxazid→?; validate in uterine_fibroid cell model. Expected: similar to l-tryptophan (Jaccard=0.33) tamsulosin refractive_error GAP_HIGH 0.1556 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.32) azacitidine prostate_cancer GAP_HIGH 0.1556 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) zolpidem alzheimers_disease GAP_HIGH 0.1556 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.27) prazepam pancreatic_cancer GAP_HIGH 0.1556 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in pancreatic_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) ibuprofen muscle_cancer GAP_HIGH 0.1556 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in muscle_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) disopyramide alcohol_dependence GAP_HIGH 0.1556 0.21428571428571427 ethylmorphine High-priority: Binding assay disopyramide→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.21) flutamide colon_cancer GAP_HIGH 0.1556 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in colon_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) flutamide stomach_cancer GAP_HIGH 0.1556 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in stomach_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) trimethoprim colon_cancer GAP_HIGH 0.1556 0.2 gemcitabine High-priority: Binding assay trimethoprim→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.20) ranolazine nephrolithiasis GAP_HIGH 0.1556 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.19) heptabarbital thymus_cancer GAP_HIGH 0.1556 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) epoprostenol malignant_glioma GAP_HIGH 0.1556 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.15) norethindrone polycystic_ovary_syndrome GAP_HIGH 0.1555 0.5454545454545454 norelgestromin High-priority: Binding assay norethindrone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to norelgestromin (Jaccard=0.55) estradiol muscle_cancer GAP_HIGH 0.1555 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.54) amcinonide amyotrophic_lateral_sclerosis GAP_HIGH 0.1555 0.5238095238095238 fludrocortisone High-priority: Binding assay amcinonide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.52) bepridil muscle_cancer GAP_HIGH 0.1555 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) nortriptyline membranous_glomerulonephritis GAP_HIGH 0.1555 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to acepromazine (Jaccard=0.50) phenoxybenzamine mediastinal_cancer GAP_HIGH 0.1555 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) phenoxybenzamine primary_biliary_cirrhosis GAP_HIGH 0.1555 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.42) antazoline prostate_cancer GAP_HIGH 0.1555 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) l-phenylalanine testicular_cancer GAP_HIGH 0.1555 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) l-phenylalanine vaginal_cancer GAP_HIGH 0.1555 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) l-phenylalanine vulva_cancer GAP_HIGH 0.1555 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) levonorgestrel idiopathic_pulmonary_fibrosis GAP_HIGH 0.1555 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to spironolactone (Jaccard=0.36) ketazolam skin_cancer GAP_HIGH 0.1555 0.35294117647058826 oxaprozin High-priority: Binding assay ketazolam→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.35) conjugated_estrogens idiopathic_pulmonary_fibrosis GAP_HIGH 0.1555 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estrone (Jaccard=0.33) fosphenytoin leprosy GAP_HIGH 0.1555 0.2857142857142857 phensuximide High-priority: Binding assay fosphenytoin→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.29) prazepam uterine_cancer GAP_HIGH 0.1555 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in uterine_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) ibuprofen ocular_cancer GAP_HIGH 0.1555 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in ocular_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen rectum_cancer GAP_HIGH 0.1555 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in rectum_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine polycystic_ovary_syndrome GAP_HIGH 0.1555 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to raloxifene (Jaccard=0.25) l-carnitine type_2_diabetes_mellitus GAP_HIGH 0.1555 0.25 raloxifene High-priority: Binding assay l-carnitine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to raloxifene (Jaccard=0.25) methyclothiazide focal_segmental_glomerulosclerosis GAP_HIGH 0.1555 0.23809523809523808 tamsulosin High-priority: Binding assay methyclothiazide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to tamsulosin (Jaccard=0.24) clenbuterol allergic_rhinitis GAP_HIGH 0.1555 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.21) clenbuterol pancreatic_cancer GAP_HIGH 0.1555 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in pancreatic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) carprofen chronic_kidney_failure GAP_HIGH 0.1555 0.21212121212121213 fenoprofen High-priority: Binding assay carprofen→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.21) flutamide pancreatic_cancer GAP_HIGH 0.1555 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in pancreatic_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) quinapril urinary_bladder_cancer GAP_HIGH 0.1555 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in urinary_bladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) aminoglutethimide mediastinal_cancer GAP_HIGH 0.1555 0.17647058823529413 warfarin High-priority: Binding assay aminoglutethimide→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.18) labetalol penile_cancer GAP_HIGH 0.1555 0.15789473684210525 fentanyl High-priority: Binding assay labetalol→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) dinoprost_tromethamine lung_cancer GAP_HIGH 0.1555 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in lung_cancer cell model. Expected: similar to pazopanib (Jaccard=0.15) epoprostenol kidney_cancer GAP_HIGH 0.1555 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.15) lubiprostone mediastinal_cancer GAP_LOW 0.1555 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs mediastinal_cancer targets. Cross-check lubiprostone pharmacophore against mediastinal_cancer pathway. lubiprostone primary_biliary_cirrhosis GAP_LOW 0.1555 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs primary_biliary_cirrhosis targets. Cross-check lubiprostone pharmacophore against primary_biliary_cirrhosis pathway. dextrothyroxine crohns_disease GAP_LOW 0.1555 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs crohns_disease targets. Cross-check dextrothyroxine pharmacophore against crohns_disease pathway. loxapine systemic_lupus_erythematosus GAP_HIGH 0.1554 0.5416666666666666 methdilazine High-priority: Binding assay loxapine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methdilazine (Jaccard=0.54) estradiol ocular_cancer GAP_HIGH 0.1554 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.54) phenprocoumon malignant_mesothelioma GAP_HIGH 0.1554 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.46) clonazepam hematologic_cancer GAP_HIGH 0.1554 0.44 azelastine High-priority: Binding assay clonazepam→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) levonordefrin panic_disorder GAP_HIGH 0.1554 0.42857142857142855 arbutamine High-priority: Binding assay levonordefrin→?; validate in panic_disorder cell model. Expected: similar to arbutamine (Jaccard=0.43) diphemanil_methylsulfate penile_cancer GAP_HIGH 0.1554 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.42) phenoxybenzamine gout GAP_HIGH 0.1554 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.42) phenoxybenzamine thymus_cancer GAP_HIGH 0.1554 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) mestranol coronary_artery_disease GAP_HIGH 0.1554 0.4 estrone High-priority: Binding assay mestranol→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.40) antazoline mediastinal_cancer GAP_HIGH 0.1554 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) l-phenylalanine vascular_cancer GAP_HIGH 0.1554 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.36) phenformin ocular_cancer GAP_HIGH 0.1554 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) nandrolone_phenpropionate obesity GAP_HIGH 0.1554 0.3333333333333333 eplerenone High-priority: Binding assay nandrolone_phenpropionate→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.33) orciprenaline ankylosing_spondylitis GAP_HIGH 0.1554 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in ankylosing_spondylitis cell model. Expected: similar to methyldopa (Jaccard=0.33) desogestrel primary_biliary_cirrhosis GAP_HIGH 0.1554 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to progesterone (Jaccard=0.32) clotiazepam lung_cancer GAP_HIGH 0.1554 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) clotiazepam rectum_cancer GAP_HIGH 0.1554 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) ritodrine ankylosing_spondylitis GAP_HIGH 0.1554 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) glutethimide ulcerative_colitis GAP_HIGH 0.1554 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.23) fenbufen alcohol_dependence GAP_HIGH 0.1554 0.21052631578947367 mazindol High-priority: Binding assay fenbufen→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.21) flutamide ulcerative_colitis GAP_HIGH 0.1554 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in ulcerative_colitis cell model. Expected: similar to paclitaxel (Jaccard=0.20) flutamide uterine_cancer GAP_HIGH 0.1554 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in uterine_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) trimethoprim multiple_sclerosis GAP_HIGH 0.1554 0.2 gemcitabine High-priority: Binding assay trimethoprim→?; validate in multiple_sclerosis cell model. Expected: similar to gemcitabine (Jaccard=0.20) glutethimide kidney_cancer GAP_HIGH 0.1554 0.1875 quinacrine High-priority: Binding assay glutethimide→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.19) caffeine salivary_gland_cancer GAP_HIGH 0.1554 0.18181818181818182 bimatoprost High-priority: Binding assay caffeine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.18) amobarbital melanoma GAP_HIGH 0.1554 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.17) captopril acquired_immunodeficiency_syndrome GAP_HIGH 0.1554 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.15) dinoprost_tromethamine liver_cancer GAP_HIGH 0.1554 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in liver_cancer cell model. Expected: similar to pazopanib (Jaccard=0.15) epoprostenol nephrolithiasis GAP_HIGH 0.1554 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.15) lubiprostone thymus_cancer GAP_LOW 0.1554 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs thymus_cancer targets. Cross-check lubiprostone pharmacophore against thymus_cancer pathway. alitretinoin pagets_disease_of_bone GAP_LOW 0.1554 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs pagets_disease_of_bone targets. Cross-check alitretinoin pharmacophore against pagets_disease_of_bone pathway. pentobarbital gestational_diabetes GAP_LOW 0.1554 0.06896551724137931 bezafibrate Low-priority: Computational docking pentobarbital vs gestational_diabetes targets. Cross-check pentobarbital pharmacophore against gestational_diabetes pathway. suprofen lung_cancer GAP_HIGH 0.1553 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.47) megestrol_acetate primary_biliary_cirrhosis GAP_HIGH 0.1553 0.46153846153846156 drospirenone High-priority: Binding assay megestrol_acetate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drospirenone (Jaccard=0.46) naproxen larynx_cancer GAP_HIGH 0.1553 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) levonordefrin schizophrenia GAP_HIGH 0.1553 0.42857142857142855 arbutamine High-priority: Binding assay levonordefrin→?; validate in schizophrenia cell model. Expected: similar to arbutamine (Jaccard=0.43) phenoxybenzamine coronary_artery_disease GAP_HIGH 0.1553 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in coronary_artery_disease cell model. Expected: similar to tamoxifen (Jaccard=0.42) epinephrine ankylosing_spondylitis GAP_HIGH 0.1553 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) arformoterol prostate_cancer GAP_HIGH 0.1553 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine thyroid_cancer GAP_HIGH 0.1553 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) clotiazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1553 0.25 chlorprothixene High-priority: Binding assay clotiazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.25) ibuprofen liver_cancer GAP_HIGH 0.1553 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in liver_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) papaverine uterine_cancer GAP_HIGH 0.1553 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) methsuximide kidney_cancer GAP_HIGH 0.1553 0.23076923076923078 quinacrine High-priority: Binding assay methsuximide→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.23) nimodipine penile_cancer GAP_HIGH 0.1553 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in penile_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) pentostatin colon_cancer GAP_HIGH 0.1553 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) clenbuterol ovarian_cancer GAP_HIGH 0.1553 0.21428571428571427 olsalazine High-priority: Binding assay clenbuterol→?; validate in ovarian_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) flutamide sarcoma GAP_HIGH 0.1553 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in sarcoma cell model. Expected: similar to paclitaxel (Jaccard=0.20) metolazone larynx_cancer GAP_HIGH 0.1553 0.2 clodronate High-priority: Binding assay metolazone→?; validate in larynx_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) aminoglutethimide thymus_cancer GAP_HIGH 0.1553 0.17647058823529413 warfarin High-priority: Binding assay aminoglutethimide→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.18) estriol esophageal_cancer GAP_HIGH 0.1553 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.17) gliquidone glaucoma GAP_HIGH 0.1553 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=0.15) alpha-linolenic_acid gout GAP_LOW 0.1553 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs gout targets. Cross-check alpha-linolenic_acid pharmacophore against gout pathway. tauroursodeoxycholic_acid atherosclerosis GAP_LOW 0.1553 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs atherosclerosis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against atherosclerosis pathway. carvedilol leprosy GAP_LOW 0.1553 0.07142857142857142 pomalidomide Low-priority: Computational docking carvedilol vs leprosy targets. Cross-check carvedilol pharmacophore against leprosy pathway. doxycycline acquired_immunodeficiency_syndrome GAP_LOW 0.1553 0.058823529411764705 lisinopril Low-priority: Computational docking doxycycline vs acquired_immunodeficiency_syndrome targets. Cross-check doxycycline pharmacophore against acquired_immunodeficiency_syndrome pathway. loxapine skin_cancer GAP_HIGH 0.1552 0.5416666666666666 methdilazine High-priority: Binding assay loxapine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.54) pirenzepine skin_cancer GAP_HIGH 0.1552 0.5238095238095238 thiothixene High-priority: Binding assay pirenzepine→?; validate in skin_cancer cell model. Expected: similar to thiothixene (Jaccard=0.52) clozapine crohns_disease GAP_HIGH 0.1552 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.50) naproxen ankylosing_spondylitis GAP_HIGH 0.1552 0.5 suprofen High-priority: Binding assay naproxen→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.50) antazoline thymus_cancer GAP_HIGH 0.1552 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) flurandrenolide pancreatitis GAP_HIGH 0.1552 0.375 amcinonide High-priority: Binding assay flurandrenolide→?; validate in pancreatitis cell model. Expected: similar to amcinonide (Jaccard=0.38) l-phenylalanine systemic_scleroderma GAP_HIGH 0.1552 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in systemic_scleroderma cell model. Expected: similar to lacosamide (Jaccard=0.36) doxylamine primary_biliary_cirrhosis GAP_HIGH 0.1552 0.3333333333333333 tamoxifen High-priority: Binding assay doxylamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.33) desogestrel coronary_artery_disease GAP_HIGH 0.1552 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in coronary_artery_disease cell model. Expected: similar to progesterone (Jaccard=0.32) clotiazepam liver_cancer GAP_HIGH 0.1552 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) quinacrine melanoma GAP_HIGH 0.1552 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.27) ibuprofen urinary_bladder_cancer GAP_HIGH 0.1552 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) remifentanil urinary_bladder_cancer GAP_HIGH 0.1552 0.25 reboxetine High-priority: Binding assay remifentanil→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) primidone hypertension GAP_HIGH 0.1552 0.18181818181818182 papaverine High-priority: Binding assay primidone→?; validate in hypertension cell model. Expected: similar to papaverine (Jaccard=0.18) carboprost_tromethamine meningioma GAP_HIGH 0.1552 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol celiac_disease GAP_HIGH 0.1552 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.15) alendronate pagets_disease_of_bone GAP_LOW 0.1552 0.14285714285714285 clodronate Low-priority: Computational docking alendronate vs pagets_disease_of_bone targets. Cross-check alendronate pharmacophore against pagets_disease_of_bone pathway. baclofen kidney_cancer GAP_LOW 0.1552 0.14285714285714285 tolazamide Low-priority: Computational docking baclofen vs kidney_cancer targets. Cross-check baclofen pharmacophore against kidney_cancer pathway. bezafibrate barretts_esophagus GAP_LOW 0.1552 0.045454545454545456 pantoprazole Low-priority: Computational docking bezafibrate vs barretts_esophagus targets. Cross-check bezafibrate pharmacophore against barretts_esophagus pathway. calcium_acetate pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking calcium_acetate vs pagets_disease_of_bone targets. Cross-check calcium_acetate pharmacophore against pagets_disease_of_bone pathway. clobazam barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking clobazam vs barretts_esophagus targets. Cross-check clobazam pharmacophore against barretts_esophagus pathway. ethynodiol barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking ethynodiol vs barretts_esophagus targets. Cross-check ethynodiol pharmacophore against barretts_esophagus pathway. fulvestrant barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking fulvestrant vs barretts_esophagus targets. Cross-check fulvestrant pharmacophore against barretts_esophagus pathway. isradipine pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking isradipine vs pagets_disease_of_bone targets. Cross-check isradipine pharmacophore against pagets_disease_of_bone pathway. lercanidipine pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking lercanidipine vs pagets_disease_of_bone targets. Cross-check lercanidipine pharmacophore against pagets_disease_of_bone pathway. mestranol barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking mestranol vs barretts_esophagus targets. Cross-check mestranol pharmacophore against barretts_esophagus pathway. nimodipine pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking nimodipine vs pagets_disease_of_bone targets. Cross-check nimodipine pharmacophore against pagets_disease_of_bone pathway. nisoldipine pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking nisoldipine vs pagets_disease_of_bone targets. Cross-check nisoldipine pharmacophore against pagets_disease_of_bone pathway. papaverine pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking papaverine vs pagets_disease_of_bone targets. Cross-check papaverine pharmacophore against pagets_disease_of_bone pathway. propafenone barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking propafenone vs barretts_esophagus targets. Cross-check propafenone pharmacophore against barretts_esophagus pathway. suprofen barretts_esophagus GAP_LOW 0.1552 0.0 pantoprazole Low-priority: Computational docking suprofen vs barretts_esophagus targets. Cross-check suprofen pharmacophore against barretts_esophagus pathway. tofisopam pagets_disease_of_bone GAP_LOW 0.1552 0.0 ibandronate Low-priority: Computational docking tofisopam vs pagets_disease_of_bone targets. Cross-check tofisopam pharmacophore against pagets_disease_of_bone pathway. gefitinib kidney_cancer GAP_HIGH 0.1551 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in kidney_cancer cell model. Expected: similar to vandetanib (Jaccard=0.61) suprofen nicotine_dependence GAP_HIGH 0.1551 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in nicotine_dependence cell model. Expected: similar to melphalan (Jaccard=0.47) glucosamine liver_cancer GAP_HIGH 0.1551 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in liver_cancer cell model. Expected: similar to clofarabine (Jaccard=0.46) lidocaine osteoarthritis GAP_HIGH 0.1551 0.4166666666666667 probenecid High-priority: Binding assay lidocaine→?; validate in osteoarthritis cell model. Expected: similar to probenecid (Jaccard=0.42) ifenprodil chronic_kidney_failure GAP_HIGH 0.1551 0.4 diphenylpyraline High-priority: Binding assay ifenprodil→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.40) antazoline hematologic_cancer GAP_HIGH 0.1551 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) l-phenylalanine uterine_fibroid GAP_HIGH 0.1551 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.36) conjugated_estrogens gout GAP_HIGH 0.1551 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in gout cell model. Expected: similar to estrone (Jaccard=0.33) nilotinib ankylosing_spondylitis GAP_HIGH 0.1551 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.33) arformoterol mediastinal_cancer GAP_HIGH 0.1551 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ibuprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.1551 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to paclitaxel (Jaccard=0.25) nimodipine malignant_mesothelioma GAP_HIGH 0.1551 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in malignant_mesothelioma cell model. Expected: similar to ifenprodil (Jaccard=0.23) esmolol chronic_kidney_failure GAP_HIGH 0.1551 0.21212121212121213 fenoprofen High-priority: Binding assay esmolol→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.21) vorinostat brain_cancer GAP_HIGH 0.1551 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) gliquidone intracranial_aneurysm GAP_HIGH 0.1551 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.15) sodium_lauryl_sulfate pharynx_cancer GAP_LOW 0.1551 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs pharynx_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against pharynx_cancer pathway. doxycycline larynx_cancer GAP_LOW 0.1551 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs larynx_cancer targets. Cross-check doxycycline pharmacophore against larynx_cancer pathway. alpha-linolenic_acid nephrolithiasis GAP_LOW 0.1551 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs nephrolithiasis targets. Cross-check alpha-linolenic_acid pharmacophore against nephrolithiasis pathway. acetylcysteine gestational_diabetes GAP_LOW 0.1551 0.043478260869565216 tolbutamide Low-priority: Computational docking acetylcysteine vs gestational_diabetes targets. Cross-check acetylcysteine pharmacophore against gestational_diabetes pathway. gefitinib nephrolithiasis GAP_HIGH 0.155 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in nephrolithiasis cell model. Expected: similar to vandetanib (Jaccard=0.61) betamethasone prostate_cancer GAP_HIGH 0.155 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in prostate_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) estradiol peripheral_nervous_system_neoplasm GAP_HIGH 0.155 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.54) bepridil urinary_bladder_cancer GAP_HIGH 0.155 0.5 isopropamide High-priority: Binding assay bepridil→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.50) diethylstilbestrol peripheral_nervous_system_neoplasm GAP_HIGH 0.155 0.5 toremifene High-priority: Binding assay diethylstilbestrol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to toremifene (Jaccard=0.50) trifluoperazine alcohol_dependence GAP_HIGH 0.155 0.46153846153846156 temazepam High-priority: Binding assay trifluoperazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.46) thalidomide coronary_artery_disease GAP_HIGH 0.155 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in coronary_artery_disease cell model. Expected: similar to indomethacin (Jaccard=0.38) vinblastine kidney_cancer GAP_HIGH 0.155 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in kidney_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) levonorgestrel coronary_artery_disease GAP_HIGH 0.155 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in coronary_artery_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) phenformin peripheral_nervous_system_neoplasm GAP_HIGH 0.155 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) conjugated_estrogens coronary_artery_disease GAP_HIGH 0.155 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.33) orciprenaline pancreatitis GAP_HIGH 0.155 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.33) epinephrine epilepsy_syndrome GAP_HIGH 0.155 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in epilepsy_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) arformoterol gout GAP_HIGH 0.155 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.27) arformoterol primary_biliary_cirrhosis GAP_HIGH 0.155 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.27) arformoterol thymus_cancer GAP_HIGH 0.155 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine pancreatitis GAP_HIGH 0.155 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline idiopathic_pulmonary_fibrosis GAP_HIGH 0.155 0.25 diflorasone High-priority: Binding assay choline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diflorasone (Jaccard=0.25) choline prostate_cancer GAP_HIGH 0.155 0.25 vincristine High-priority: Binding assay choline→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) pentostatin ovarian_cancer GAP_HIGH 0.155 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in ovarian_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) irbesartan germ_cell_cancer GAP_HIGH 0.155 0.16666666666666666 lapatinib High-priority: Binding assay irbesartan→?; validate in germ_cell_cancer cell model. Expected: similar to lapatinib (Jaccard=0.17) tetracycline leprosy GAP_LOW 0.155 0.03225806451612903 sulfapyridine Low-priority: Computational docking tetracycline vs leprosy targets. Cross-check tetracycline pharmacophore against leprosy pathway. orphenadrine prostate_cancer GAP_HIGH 0.1549 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) conjugated_estrogens hematologic_cancer GAP_HIGH 0.1549 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in hematologic_cancer cell model. Expected: similar to estrone (Jaccard=0.33) etonogestrel penile_cancer GAP_HIGH 0.1549 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in penile_cancer cell model. Expected: similar to spironolactone (Jaccard=0.33) epinephrine pancreatitis GAP_HIGH 0.1549 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) zolpidem colon_cancer GAP_HIGH 0.1549 0.2727272727272727 suprofen High-priority: Binding assay zolpidem→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.27) prazepam testicular_cancer GAP_HIGH 0.1549 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in testicular_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) prazepam vaginal_cancer GAP_HIGH 0.1549 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in vaginal_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) prazepam vulva_cancer GAP_HIGH 0.1549 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in vulva_cancer cell model. Expected: similar to clomipramine (Jaccard=0.26) amlodipine alzheimers_disease GAP_HIGH 0.1549 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in alzheimers_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine parkinsons_disease GAP_HIGH 0.1549 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in parkinsons_disease cell model. Expected: similar to ezetimibe (Jaccard=0.25) carvedilol pancreatitis GAP_HIGH 0.1549 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in pancreatitis cell model. Expected: similar to docetaxel (Jaccard=0.25) papaverine skin_cancer GAP_HIGH 0.1549 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) flutamide skin_cancer GAP_HIGH 0.1549 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in skin_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.20) isradipine head_and_neck_cancer GAP_HIGH 0.1549 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in head_and_neck_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine malignant_glioma GAP_HIGH 0.1549 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in malignant_glioma cell model. Expected: similar to desoximetasone (Jaccard=0.20) quinapril ulcerative_colitis GAP_HIGH 0.1549 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in ulcerative_colitis cell model. Expected: similar to irinotecan (Jaccard=0.20) flutamide chronic_kidney_failure GAP_HIGH 0.1549 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in chronic_kidney_failure cell model. Expected: similar to butenafine (Jaccard=0.17) primidone coronary_artery_disease GAP_HIGH 0.1549 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in coronary_artery_disease cell model. Expected: similar to phenytoin (Jaccard=0.17) carboprost_tromethamine crohns_disease GAP_HIGH 0.1549 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.15) talbutal dilated_cardiomyopathy GAP_LOW 0.1549 0.07142857142857142 rimexolone Low-priority: Computational docking talbutal vs dilated_cardiomyopathy targets. Cross-check talbutal pharmacophore against dilated_cardiomyopathy pathway. ethinyl_estradiol intracranial_aneurysm GAP_HIGH 0.1548 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.47) diphenidol hematologic_cancer GAP_HIGH 0.1548 0.3333333333333333 isopropamide High-priority: Binding assay diphenidol→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) l-tryptophan obesity GAP_HIGH 0.1548 0.3333333333333333 isocarboxazid High-priority: Binding assay l-tryptophan→?; validate in obesity cell model. Expected: similar to isocarboxazid (Jaccard=0.33) nandrolone_phenpropionate type_2_diabetes_mellitus GAP_HIGH 0.1548 0.3333333333333333 eplerenone High-priority: Binding assay nandrolone_phenpropionate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to eplerenone (Jaccard=0.33) difenoxin penile_cancer GAP_HIGH 0.1548 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) amlodipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1548 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine autistic_disorder GAP_HIGH 0.1548 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in autistic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine nicotine_dependence GAP_HIGH 0.1548 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in nicotine_dependence cell model. Expected: similar to ezetimibe (Jaccard=0.25) choline mediastinal_cancer GAP_HIGH 0.1548 0.25 diflorasone High-priority: Binding assay choline→?; validate in mediastinal_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline primary_biliary_cirrhosis GAP_HIGH 0.1548 0.25 vincristine High-priority: Binding assay choline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.25) cytarabine polycystic_ovary_syndrome GAP_HIGH 0.1548 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gemcitabine (Jaccard=0.25) cytarabine type_2_diabetes_mellitus GAP_HIGH 0.1548 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.25) cytarabine vitiligo GAP_HIGH 0.1548 0.25 gemcitabine High-priority: Binding assay cytarabine→?; validate in vitiligo cell model. Expected: similar to gemcitabine (Jaccard=0.25) ritodrine chronic_kidney_failure GAP_HIGH 0.1548 0.25 benzthiazide High-priority: Binding assay ritodrine→?; validate in chronic_kidney_failure cell model. Expected: similar to benzthiazide (Jaccard=0.25) papaverine vulva_cancer GAP_HIGH 0.1548 0.23529411764705882 ifenprodil High-priority: Binding assay papaverine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.24) ceruletide melanoma GAP_HIGH 0.1548 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in melanoma cell model. Expected: similar to goserelin (Jaccard=0.20) quinapril ovarian_cancer GAP_HIGH 0.1548 0.2 irinotecan High-priority: Binding assay quinapril→?; validate in ovarian_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) valsartan kidney_cancer GAP_HIGH 0.1548 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in kidney_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.18) glutethimide atherosclerosis GAP_LOW 0.1548 0.14634146341463414 flurbiprofen Low-priority: Computational docking glutethimide vs atherosclerosis targets. Cross-check glutethimide pharmacophore against atherosclerosis pathway. sodium_lauryl_sulfate thyroid_cancer GAP_LOW 0.1548 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs thyroid_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against thyroid_cancer pathway. dextrothyroxine gout GAP_LOW 0.1548 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs gout targets. Cross-check dextrothyroxine pharmacophore against gout pathway. dextrothyroxine primary_biliary_cirrhosis GAP_LOW 0.1548 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs primary_biliary_cirrhosis targets. Cross-check dextrothyroxine pharmacophore against primary_biliary_cirrhosis pathway. flurbiprofen chronic_kidney_failure GAP_HIGH 0.1547 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.53) benzphetamine vascular_cancer GAP_HIGH 0.1547 0.5 bepridil High-priority: Binding assay benzphetamine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.50) lidocaine systemic_scleroderma GAP_HIGH 0.1547 0.4166666666666667 probenecid High-priority: Binding assay lidocaine→?; validate in systemic_scleroderma cell model. Expected: similar to probenecid (Jaccard=0.42) orphenadrine mediastinal_cancer GAP_HIGH 0.1547 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) danazol germ_cell_cancer GAP_HIGH 0.1547 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in germ_cell_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) l-phenylalanine polycystic_ovary_syndrome GAP_HIGH 0.1547 0.36363636363636365 lacosamide High-priority: Binding assay l-phenylalanine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lacosamide (Jaccard=0.36) melphalan azoospermia GAP_HIGH 0.1547 0.35 naproxen High-priority: Binding assay melphalan→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.35) orciprenaline lung_cancer GAP_HIGH 0.1547 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in lung_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) orciprenaline rectum_cancer GAP_HIGH 0.1547 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in rectum_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) ritodrine lung_cancer GAP_HIGH 0.1547 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine rectum_cancer GAP_HIGH 0.1547 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline gout GAP_HIGH 0.1547 0.25 diflorasone High-priority: Binding assay choline→?; validate in gout cell model. Expected: similar to diflorasone (Jaccard=0.25) choline thymus_cancer GAP_HIGH 0.1547 0.25 diflorasone High-priority: Binding assay choline→?; validate in thymus_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) ibuprofen colon_cancer GAP_HIGH 0.1547 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in colon_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) lercanidipine malaria GAP_HIGH 0.1547 0.16666666666666666 primidone High-priority: Binding assay lercanidipine→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.17) pyrimethamine refractive_error GAP_HIGH 0.1547 0.16666666666666666 dinoprost_tromethamine High-priority: Binding assay pyrimethamine→?; validate in refractive_error cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.17) labetalol meningioma GAP_HIGH 0.1547 0.15789473684210525 fentanyl High-priority: Binding assay labetalol→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.16) vitamin_c celiac_disease GAP_LOW 0.1547 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking vitamin_c vs celiac_disease targets. Cross-check vitamin_c pharmacophore against celiac_disease pathway. estradiol hypertension GAP_HIGH 0.1546 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.54) suprofen asthma GAP_HIGH 0.1546 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.47) suprofen conduct_disorder GAP_HIGH 0.1546 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in conduct_disorder cell model. Expected: similar to melphalan (Jaccard=0.47) diphemanil_methylsulfate meningioma GAP_HIGH 0.1546 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.42) mestranol melanoma GAP_HIGH 0.1546 0.4 estrone High-priority: Binding assay mestranol→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.40) orphenadrine thymus_cancer GAP_HIGH 0.1546 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) l-tryptophan systemic_scleroderma GAP_HIGH 0.1546 0.3333333333333333 isocarboxazid High-priority: Binding assay l-tryptophan→?; validate in systemic_scleroderma cell model. Expected: similar to isocarboxazid (Jaccard=0.33) orciprenaline liver_cancer GAP_HIGH 0.1546 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in liver_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) allylestrenol malignant_mesothelioma GAP_HIGH 0.1546 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.30) amlodipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1546 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) amphetamine psoriasis GAP_HIGH 0.1546 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in psoriasis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) carvedilol rectum_cancer GAP_HIGH 0.1546 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in rectum_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) dopamine larynx_cancer GAP_HIGH 0.1546 0.25 vincristine High-priority: Binding assay dopamine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) ibuprofen stomach_cancer GAP_HIGH 0.1546 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in stomach_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-aspartic_acid systemic_lupus_erythematosus GAP_HIGH 0.1546 0.23076923076923078 penicillamine High-priority: Binding assay l-aspartic_acid→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.23) methylphenobarbital hematologic_cancer GAP_HIGH 0.1546 0.2 chlorcyclizine High-priority: Binding assay methylphenobarbital→?; validate in hematologic_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) olmesartan gout GAP_HIGH 0.1546 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in gout cell model. Expected: similar to tolbutamide (Jaccard=0.18) heptabarbital melanoma GAP_HIGH 0.1546 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.17) dinoprost_tromethamine pancreatic_cancer GAP_HIGH 0.1546 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.15) equilin chronic_kidney_failure GAP_LOW 0.1546 0.11764705882352941 dimetacrine Low-priority: Computational docking equilin vs chronic_kidney_failure targets. Cross-check equilin pharmacophore against chronic_kidney_failure pathway. dextrothyroxine coronary_artery_disease GAP_LOW 0.1546 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs coronary_artery_disease targets. Cross-check dextrothyroxine pharmacophore against coronary_artery_disease pathway. benazepril bone_cancer GAP_LOW 0.1546 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking benazepril vs bone_cancer targets. Cross-check benazepril pharmacophore against bone_cancer pathway. aminophenazone dilated_cardiomyopathy GAP_LOW 0.1546 0.06666666666666667 drospirenone Low-priority: Computational docking aminophenazone vs dilated_cardiomyopathy targets. Cross-check aminophenazone pharmacophore against dilated_cardiomyopathy pathway. betamethasone hematologic_cancer GAP_HIGH 0.1545 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in hematologic_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) fluoxymesterone type_1_diabetes_mellitus GAP_HIGH 0.1545 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.52) suprofen allergic_rhinitis GAP_HIGH 0.1545 0.4666666666666667 melphalan High-priority: Binding assay suprofen→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.47) pazopanib celiac_disease GAP_HIGH 0.1545 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.42) orphenadrine coronary_artery_disease GAP_HIGH 0.1545 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in coronary_artery_disease cell model. Expected: similar to isopropamide (Jaccard=0.40) anileridine azoospermia GAP_HIGH 0.1545 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in azoospermia cell model. Expected: similar to cyclopentolate (Jaccard=0.36) tamsulosin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1545 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.33) clotiazepam stomach_cancer GAP_HIGH 0.1545 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) ritodrine liver_cancer GAP_HIGH 0.1545 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) amphetamine osteoporosis GAP_HIGH 0.1545 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in osteoporosis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) choline hematologic_cancer GAP_HIGH 0.1545 0.25 diflorasone High-priority: Binding assay choline→?; validate in hematologic_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) ibuprofen pancreatic_cancer GAP_HIGH 0.1545 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in pancreatic_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen ulcerative_colitis GAP_HIGH 0.1545 0.25 indomethacin High-priority: Binding assay ibuprofen→?; validate in ulcerative_colitis cell model. Expected: similar to indomethacin (Jaccard=0.25) nimodipine meningioma GAP_HIGH 0.1545 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.23) ceruletide sclerosing_cholangitis GAP_HIGH 0.1545 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in sclerosing_cholangitis cell model. Expected: similar to goserelin (Jaccard=0.20) amobarbital thyroid_cancer GAP_HIGH 0.1545 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) carboprost_tromethamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1545 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estrone (Jaccard=0.15) dinoprost_tromethamine gout GAP_LOW 0.1545 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs gout targets. Cross-check dinoprost_tromethamine pharmacophore against gout pathway. glisoxepide malaria GAP_LOW 0.1545 0.13333333333333333 sulfamethizole Low-priority: Computational docking glisoxepide vs malaria targets. Cross-check glisoxepide pharmacophore against malaria pathway. aprindine barretts_esophagus GAP_LOW 0.1545 0.0 pantoprazole Low-priority: Computational docking aprindine vs barretts_esophagus targets. Cross-check aprindine pharmacophore against barretts_esophagus pathway. azelastine barretts_esophagus GAP_LOW 0.1545 0.0 pantoprazole Low-priority: Computational docking azelastine vs barretts_esophagus targets. Cross-check azelastine pharmacophore against barretts_esophagus pathway. fludiazepam barretts_esophagus GAP_LOW 0.1545 0.0 pantoprazole Low-priority: Computational docking fludiazepam vs barretts_esophagus targets. Cross-check fludiazepam pharmacophore against barretts_esophagus pathway. gefitinib barretts_esophagus GAP_LOW 0.1545 0.0 pantoprazole Low-priority: Computational docking gefitinib vs barretts_esophagus targets. Cross-check gefitinib pharmacophore against barretts_esophagus pathway. methamphetamine barretts_esophagus GAP_LOW 0.1545 0.0 pantoprazole Low-priority: Computational docking methamphetamine vs barretts_esophagus targets. Cross-check methamphetamine pharmacophore against barretts_esophagus pathway. tamoxifen type_1_diabetes_mellitus GAP_HIGH 0.1544 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.56) glucosamine stomach_cancer GAP_HIGH 0.1544 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.46) phenoxybenzamine duodenum_cancer GAP_HIGH 0.1544 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) phenoxybenzamine gallbladder_cancer GAP_HIGH 0.1544 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) phenoxybenzamine melanoma GAP_HIGH 0.1544 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.42) orphenadrine hematologic_cancer GAP_HIGH 0.1544 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) imatinib hematologic_cancer GAP_HIGH 0.1544 0.39473684210526316 ponatinib High-priority: Binding assay imatinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.39) methyltestosterone malignant_mesothelioma GAP_HIGH 0.1544 0.3888888888888889 fluoxymesterone High-priority: Binding assay methyltestosterone→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) trilostane penile_cancer GAP_HIGH 0.1544 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in penile_cancer cell model. Expected: similar to prednisone (Jaccard=0.33) epinephrine alzheimers_disease GAP_HIGH 0.1544 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in alzheimers_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine parkinsons_disease GAP_HIGH 0.1544 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in parkinsons_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clotiazepam pancreatic_cancer GAP_HIGH 0.1544 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) ritodrine urinary_bladder_cancer GAP_HIGH 0.1544 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) norepinephrine type_1_diabetes_mellitus GAP_HIGH 0.1544 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to droxidopa (Jaccard=0.27) prazepam uterine_fibroid GAP_HIGH 0.1544 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in uterine_fibroid cell model. Expected: similar to clomipramine (Jaccard=0.26) carvedilol liver_cancer GAP_HIGH 0.1544 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in liver_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) cytarabine psoriatic_arthritis GAP_HIGH 0.1544 0.25 ribavirin High-priority: Binding assay cytarabine→?; validate in psoriatic_arthritis cell model. Expected: similar to ribavirin (Jaccard=0.25) ibuprofen psoriasis GAP_HIGH 0.1544 0.25 indomethacin High-priority: Binding assay ibuprofen→?; validate in psoriasis cell model. Expected: similar to indomethacin (Jaccard=0.25) ibuprofen uterine_cancer GAP_HIGH 0.1544 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in uterine_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) tolbutamide coronary_artery_disease GAP_HIGH 0.1544 0.25 eprosartan High-priority: Binding assay tolbutamide→?; validate in coronary_artery_disease cell model. Expected: similar to eprosartan (Jaccard=0.25) l-carnitine pharynx_cancer GAP_HIGH 0.1544 0.23076923076923078 bimatoprost High-priority: Binding assay l-carnitine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.23) papaverine ulcerative_colitis GAP_HIGH 0.1544 0.23076923076923078 diphenylpyraline High-priority: Binding assay papaverine→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) l-aspartic_acid epilepsy_syndrome GAP_HIGH 0.1544 0.2222222222222222 aminocaproic_acid High-priority: Binding assay l-aspartic_acid→?; validate in epilepsy_syndrome cell model. Expected: similar to aminocaproic_acid (Jaccard=0.22) flutamide systemic_scleroderma GAP_HIGH 0.1544 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in systemic_scleroderma cell model. Expected: similar to paclitaxel (Jaccard=0.20) trimethoprim narcolepsy GAP_HIGH 0.1544 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.18) pentobarbital crohns_disease GAP_HIGH 0.1544 0.17391304347826086 methdilazine High-priority: Binding assay pentobarbital→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.17) aprobarbital mediastinal_cancer GAP_HIGH 0.1544 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) butethal mediastinal_cancer GAP_HIGH 0.1544 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) irbesartan penile_cancer GAP_HIGH 0.1544 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in penile_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) dronedarone azoospermia GAP_LOW 0.1544 0.125 ifenprodil Low-priority: Computational docking dronedarone vs azoospermia targets. Cross-check dronedarone pharmacophore against azoospermia pathway. sulpiride leprosy GAP_LOW 0.1544 0.07407407407407407 sulfapyridine Low-priority: Computational docking sulpiride vs leprosy targets. Cross-check sulpiride pharmacophore against leprosy pathway. aminoglutethimide gestational_diabetes GAP_LOW 0.1544 0.07142857142857142 bezafibrate Low-priority: Computational docking aminoglutethimide vs gestational_diabetes targets. Cross-check aminoglutethimide pharmacophore against gestational_diabetes pathway. estradiol osteoporosis GAP_HIGH 0.1543 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in osteoporosis cell model. Expected: similar to estrone (Jaccard=0.54) clozapine coronary_artery_disease GAP_HIGH 0.1543 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in coronary_artery_disease cell model. Expected: similar to oxaprozin (Jaccard=0.50) clozapine narcolepsy GAP_HIGH 0.1543 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in narcolepsy cell model. Expected: similar to oxaprozin (Jaccard=0.50) danazol type_2_diabetes_mellitus GAP_HIGH 0.1543 0.4 levonorgestrel High-priority: Binding assay danazol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to levonorgestrel (Jaccard=0.40) mestranol sclerosing_cholangitis GAP_HIGH 0.1543 0.4 estrone High-priority: Binding assay mestranol→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.40) phenformin ovarian_cancer GAP_HIGH 0.1543 0.36363636363636365 phenylpropanolamine High-priority: Binding assay phenformin→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) dobutamine pharynx_cancer GAP_HIGH 0.1543 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in pharynx_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) phenylephrine breast_cancer GAP_HIGH 0.1543 0.3333333333333333 orciprenaline High-priority: Binding assay phenylephrine→?; validate in breast_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.33) desogestrel melanoma GAP_HIGH 0.1543 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in melanoma cell model. Expected: similar to progesterone (Jaccard=0.32) epinephrine amyotrophic_lateral_sclerosis GAP_HIGH 0.1543 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine autistic_disorder GAP_HIGH 0.1543 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in autistic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine nicotine_dependence GAP_HIGH 0.1543 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in nicotine_dependence cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) azacitidine duodenum_cancer GAP_HIGH 0.1543 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) azacitidine gallbladder_cancer GAP_HIGH 0.1543 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) clotiazepam ulcerative_colitis GAP_HIGH 0.1543 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.29) clotiazepam uterine_cancer GAP_HIGH 0.1543 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) amlodipine asthma GAP_HIGH 0.1543 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in asthma cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine panic_disorder GAP_HIGH 0.1543 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in panic_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine schizophrenia GAP_HIGH 0.1543 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in schizophrenia cell model. Expected: similar to ezetimibe (Jaccard=0.25) ibuprofen sarcoma GAP_HIGH 0.1543 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in sarcoma cell model. Expected: similar to paclitaxel (Jaccard=0.25) glutethimide uterine_fibroid GAP_HIGH 0.1543 0.22727272727272727 cyclopentolate High-priority: Binding assay glutethimide→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.23) methylphenobarbital thyroid_cancer GAP_HIGH 0.1543 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.21) streptozocin refractive_error GAP_HIGH 0.1543 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in refractive_error cell model. Expected: similar to dipivefrin (Jaccard=0.20) aprobarbital thymus_cancer GAP_HIGH 0.1543 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) butethal thymus_cancer GAP_HIGH 0.1543 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) sodium_lauryl_sulfate muscle_cancer GAP_LOW 0.1543 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs muscle_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against muscle_cancer pathway. dextrothyroxine membranous_glomerulonephritis GAP_LOW 0.1543 0.09090909090909091 calcium_acetate Low-priority: Computational docking dextrothyroxine vs membranous_glomerulonephritis targets. Cross-check dextrothyroxine pharmacophore against membranous_glomerulonephritis pathway. estradiol sarcoma GAP_HIGH 0.1542 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.54) naproxen amyotrophic_lateral_sclerosis GAP_HIGH 0.1542 0.5 suprofen High-priority: Binding assay naproxen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to suprofen (Jaccard=0.50) l-tryptophan type_2_diabetes_mellitus GAP_HIGH 0.1542 0.3333333333333333 isocarboxazid High-priority: Binding assay l-tryptophan→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to isocarboxazid (Jaccard=0.33) loxapine leprosy GAP_HIGH 0.1542 0.3333333333333333 phensuximide High-priority: Binding assay loxapine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.33) trilostane malignant_mesothelioma GAP_HIGH 0.1542 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in malignant_mesothelioma cell model. Expected: similar to prednisone (Jaccard=0.33) cinchocaine azoospermia GAP_HIGH 0.1542 0.32142857142857145 procaine High-priority: Binding assay cinchocaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.32) quinacrine thyroid_cancer GAP_HIGH 0.1542 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) amlodipine atopic_dermatitis GAP_HIGH 0.1542 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in atopic_dermatitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine breast_cancer GAP_HIGH 0.1542 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in breast_cancer cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine conduct_disorder GAP_HIGH 0.1542 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in conduct_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) nimodipine crohns_disease GAP_HIGH 0.1542 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in crohns_disease cell model. Expected: similar to ifenprodil (Jaccard=0.23) carprofen membranous_glomerulonephritis GAP_HIGH 0.1542 0.21212121212121213 fenoprofen High-priority: Binding assay carprofen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.21) aminocaproic_acid glaucoma GAP_HIGH 0.1542 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.20) estriol glaucoma GAP_HIGH 0.1542 0.16666666666666666 choline High-priority: Binding assay estriol→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) irbesartan malignant_mesothelioma GAP_HIGH 0.1542 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in malignant_mesothelioma cell model. Expected: similar to vinblastine (Jaccard=0.17) carboprost_tromethamine gout GAP_HIGH 0.1542 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in gout cell model. Expected: similar to estrone (Jaccard=0.15) dinoprost_tromethamine systemic_lupus_erythematosus GAP_HIGH 0.1542 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pazopanib (Jaccard=0.15) gliquidone head_and_neck_cancer GAP_HIGH 0.1542 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) gliquidone malignant_glioma GAP_HIGH 0.1542 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.15) calcium_acetate narcolepsy GAP_LOW 0.1542 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs narcolepsy targets. Cross-check calcium_acetate pharmacophore against narcolepsy pathway. irbesartan gestational_diabetes GAP_LOW 0.1542 0.07142857142857142 gliclazide Low-priority: Computational docking irbesartan vs gestational_diabetes targets. Cross-check irbesartan pharmacophore against gestational_diabetes pathway. fluticasone_propionate metabolic_syndrome_x GAP_HIGH 0.1541 0.5 betamethasone High-priority: Binding assay fluticasone_propionate→?; validate in metabolic_syndrome_x cell model. Expected: similar to betamethasone (Jaccard=0.50) phenprocoumon prostate_cancer GAP_HIGH 0.1541 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in prostate_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) bepridil esophageal_cancer GAP_HIGH 0.1541 0.4444444444444444 tamoxifen High-priority: Binding assay bepridil→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.44) phenoxybenzamine sclerosing_cholangitis GAP_HIGH 0.1541 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.42) tolmetin celiac_disease GAP_HIGH 0.1541 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in celiac_disease cell model. Expected: similar to bromfenac (Jaccard=0.39) imipramine primary_biliary_cirrhosis GAP_HIGH 0.1541 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.38) danazol penile_cancer GAP_HIGH 0.1541 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in penile_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) levonorgestrel melanoma GAP_HIGH 0.1541 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in melanoma cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens melanoma GAP_HIGH 0.1541 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine ankylosing_spondylitis GAP_HIGH 0.1541 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.33) doxylamine duodenum_cancer GAP_HIGH 0.1541 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in duodenum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) doxylamine gallbladder_cancer GAP_HIGH 0.1541 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in gallbladder_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) epinephrine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1541 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) prazepam polycystic_ovary_syndrome GAP_HIGH 0.1541 0.2608695652173913 clomipramine High-priority: Binding assay prazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clomipramine (Jaccard=0.26) amlodipine allergic_rhinitis GAP_HIGH 0.1541 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in allergic_rhinitis cell model. Expected: similar to ezetimibe (Jaccard=0.25) amlodipine bipolar_disorder GAP_HIGH 0.1541 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in bipolar_disorder cell model. Expected: similar to ezetimibe (Jaccard=0.25) vorinostat kidney_cancer GAP_HIGH 0.1541 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) trimethoprim alcohol_dependence GAP_LOW 0.1541 0.09090909090909091 naloxone Low-priority: Computational docking trimethoprim vs alcohol_dependence targets. Cross-check trimethoprim pharmacophore against alcohol_dependence pathway. desmopressin hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking desmopressin vs hypothyroidism targets. Cross-check desmopressin pharmacophore against hypothyroidism pathway. dopamine hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking dopamine vs hypothyroidism targets. Cross-check dopamine pharmacophore against hypothyroidism pathway. felypressin hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking felypressin vs hypothyroidism targets. Cross-check felypressin pharmacophore against hypothyroidism pathway. halazepam hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking halazepam vs hypothyroidism targets. Cross-check halazepam pharmacophore against hypothyroidism pathway. indomethacin hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking indomethacin vs hypothyroidism targets. Cross-check indomethacin pharmacophore against hypothyroidism pathway. norepinephrine hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking norepinephrine vs hypothyroidism targets. Cross-check norepinephrine pharmacophore against hypothyroidism pathway. oxyphenonium hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking oxyphenonium vs hypothyroidism targets. Cross-check oxyphenonium pharmacophore against hypothyroidism pathway. pasireotide hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking pasireotide vs hypothyroidism targets. Cross-check pasireotide pharmacophore against hypothyroidism pathway. ponatinib hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking ponatinib vs hypothyroidism targets. Cross-check ponatinib pharmacophore against hypothyroidism pathway. terlipressin hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking terlipressin vs hypothyroidism targets. Cross-check terlipressin pharmacophore against hypothyroidism pathway. treprostinil hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking treprostinil vs hypothyroidism targets. Cross-check treprostinil pharmacophore against hypothyroidism pathway. trifluridine hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking trifluridine vs hypothyroidism targets. Cross-check trifluridine pharmacophore against hypothyroidism pathway. vapreotide hypothyroidism GAP_LOW 0.1541 0.0 methimazole Low-priority: Computational docking vapreotide vs hypothyroidism targets. Cross-check vapreotide pharmacophore against hypothyroidism pathway. ethinyl_estradiol malignant_glioma GAP_HIGH 0.154 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.47) azatadine chronic_kidney_failure GAP_HIGH 0.154 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in chronic_kidney_failure cell model. Expected: similar to temazepam (Jaccard=0.43) lidocaine rheumatoid_arthritis GAP_HIGH 0.154 0.4166666666666667 probenecid High-priority: Binding assay lidocaine→?; validate in rheumatoid_arthritis cell model. Expected: similar to probenecid (Jaccard=0.42) dobutamine thyroid_cancer GAP_HIGH 0.154 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in thyroid_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) phenylephrine ovarian_cancer GAP_HIGH 0.154 0.3333333333333333 orciprenaline High-priority: Binding assay phenylephrine→?; validate in ovarian_cancer cell model. Expected: similar to orciprenaline (Jaccard=0.33) tamsulosin narcolepsy GAP_HIGH 0.154 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in narcolepsy cell model. Expected: similar to propafenone (Jaccard=0.33) difenoxin meningioma GAP_HIGH 0.154 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) chlorpropamide chronic_obstructive_pulmonary_disease GAP_HIGH 0.154 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.32) desogestrel sclerosing_cholangitis GAP_HIGH 0.154 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in sclerosing_cholangitis cell model. Expected: similar to progesterone (Jaccard=0.32) allylestrenol head_and_neck_cancer GAP_HIGH 0.154 0.2857142857142857 loteprednol High-priority: Binding assay allylestrenol→?; validate in head_and_neck_cancer cell model. Expected: similar to loteprednol (Jaccard=0.29) arformoterol melanoma GAP_HIGH 0.154 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.27) amlodipine endogenous_depression GAP_HIGH 0.154 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in endogenous_depression cell model. Expected: similar to ezetimibe (Jaccard=0.25) amphetamine osteoarthritis GAP_HIGH 0.154 0.25 histamine_phosphate High-priority: Binding assay amphetamine→?; validate in osteoarthritis cell model. Expected: similar to histamine_phosphate (Jaccard=0.25) l-aspartic_acid systemic_scleroderma GAP_HIGH 0.154 0.23076923076923078 penicillamine High-priority: Binding assay l-aspartic_acid→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.23) tofisopam penile_cancer GAP_HIGH 0.154 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) flutamide vitiligo GAP_HIGH 0.154 0.2 paclitaxel High-priority: Binding assay flutamide→?; validate in vitiligo cell model. Expected: similar to paclitaxel (Jaccard=0.20) benzthiazide germ_cell_cancer GAP_HIGH 0.154 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) carboprost_tromethamine hematologic_cancer GAP_HIGH 0.154 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in hematologic_cancer cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone refractive_error GAP_HIGH 0.154 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=0.15) norepinephrine leprosy GAP_LOW 0.154 0.14285714285714285 lenalidomide Low-priority: Computational docking norepinephrine vs leprosy targets. Cross-check norepinephrine pharmacophore against leprosy pathway. dextrothyroxine germ_cell_cancer GAP_LOW 0.154 0.09090909090909091 spironolactone Low-priority: Computational docking dextrothyroxine vs germ_cell_cancer targets. Cross-check dextrothyroxine pharmacophore against germ_cell_cancer pathway. pasireotide leprosy GAP_LOW 0.154 0.08333333333333333 sulfamethizole Low-priority: Computational docking pasireotide vs leprosy targets. Cross-check pasireotide pharmacophore against leprosy pathway. phenprocoumon mediastinal_cancer GAP_HIGH 0.1539 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) azatadine focal_segmental_glomerulosclerosis GAP_HIGH 0.1539 0.4166666666666667 trifluoperazine High-priority: Binding assay azatadine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.42) diphemanil_methylsulfate germ_cell_cancer GAP_HIGH 0.1539 0.4117647058823529 toremifene High-priority: Binding assay diphemanil_methylsulfate→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.41) selegiline muscle_cancer GAP_HIGH 0.1539 0.375 phentermine High-priority: Binding assay selegiline→?; validate in muscle_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) acenocoumarol azoospermia GAP_HIGH 0.1539 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in azoospermia cell model. Expected: similar to fosphenytoin (Jaccard=0.35) dobutamine epilepsy_syndrome GAP_HIGH 0.1539 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in epilepsy_syndrome cell model. Expected: similar to mebendazole (Jaccard=0.33) orciprenaline stomach_cancer GAP_HIGH 0.1539 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in stomach_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) arformoterol duodenum_cancer GAP_HIGH 0.1539 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) arformoterol gallbladder_cancer GAP_HIGH 0.1539 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) amlodipine migraine GAP_HIGH 0.1539 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in migraine cell model. Expected: similar to ezetimibe (Jaccard=0.25) halazepam skin_cancer GAP_HIGH 0.1539 0.25 oxcarbazepine High-priority: Binding assay halazepam→?; validate in skin_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.25) ibuprofen skin_cancer GAP_HIGH 0.1539 0.25 indomethacin High-priority: Binding assay ibuprofen→?; validate in skin_cancer cell model. Expected: similar to indomethacin (Jaccard=0.25) captopril esophageal_cancer GAP_HIGH 0.1539 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) ceruletide thyroid_cancer GAP_HIGH 0.1539 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in thyroid_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) treprostinil autistic_disorder GAP_HIGH 0.1539 0.2 lisdexamfetamine High-priority: Binding assay treprostinil→?; validate in autistic_disorder cell model. Expected: similar to lisdexamfetamine (Jaccard=0.20) treprostinil nicotine_dependence GAP_HIGH 0.1539 0.2 lisdexamfetamine High-priority: Binding assay treprostinil→?; validate in nicotine_dependence cell model. Expected: similar to lisdexamfetamine (Jaccard=0.20) losartan type_1_diabetes_mellitus GAP_HIGH 0.1539 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.18) conivaptan lymphatic_system_cancer GAP_LOW 0.1539 0.125 tenofovir Low-priority: Computational docking conivaptan vs lymphatic_system_cancer targets. Cross-check conivaptan pharmacophore against lymphatic_system_cancer pathway. sodium_lauryl_sulfate urinary_bladder_cancer GAP_LOW 0.1539 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs urinary_bladder_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against urinary_bladder_cancer pathway. estropipate dilated_cardiomyopathy GAP_LOW 0.1539 0.1111111111111111 progesterone Low-priority: Computational docking estropipate vs dilated_cardiomyopathy targets. Cross-check estropipate pharmacophore against dilated_cardiomyopathy pathway. glimepiride lymphatic_system_cancer GAP_LOW 0.1539 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs lymphatic_system_cancer targets. Cross-check glimepiride pharmacophore against lymphatic_system_cancer pathway. estradiol skin_cancer GAP_HIGH 0.1538 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.54) ethinyl_estradiol nephrolithiasis GAP_HIGH 0.1538 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.47) phenprocoumon gout GAP_HIGH 0.1538 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in gout cell model. Expected: similar to warfarin (Jaccard=0.46) phenprocoumon thymus_cancer GAP_HIGH 0.1538 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) levonorgestrel sclerosing_cholangitis GAP_HIGH 0.1538 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in sclerosing_cholangitis cell model. Expected: similar to spironolactone (Jaccard=0.36) terbutaline panic_disorder GAP_HIGH 0.1538 0.36363636363636365 arbutamine High-priority: Binding assay terbutaline→?; validate in panic_disorder cell model. Expected: similar to arbutamine (Jaccard=0.36) terbutaline schizophrenia GAP_HIGH 0.1538 0.36363636363636365 arbutamine High-priority: Binding assay terbutaline→?; validate in schizophrenia cell model. Expected: similar to arbutamine (Jaccard=0.36) conjugated_estrogens sclerosing_cholangitis GAP_HIGH 0.1538 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.33) etonogestrel crohns_disease GAP_HIGH 0.1538 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in crohns_disease cell model. Expected: similar to spironolactone (Jaccard=0.33) orciprenaline pancreatic_cancer GAP_HIGH 0.1538 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in pancreatic_cancer cell model. Expected: similar to methyldopa (Jaccard=0.33) salbutamol narcolepsy GAP_HIGH 0.1538 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.33) selegiline type_1_diabetes_mellitus GAP_HIGH 0.1538 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.33) epinephrine conduct_disorder GAP_HIGH 0.1538 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in conduct_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine panic_disorder GAP_HIGH 0.1538 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in panic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine schizophrenia GAP_HIGH 0.1538 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in schizophrenia cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) ritodrine pancreatic_cancer GAP_HIGH 0.1538 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine stomach_cancer GAP_HIGH 0.1538 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol colon_cancer GAP_HIGH 0.1538 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in colon_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) ibuprofen testicular_cancer GAP_HIGH 0.1538 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in testicular_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen vaginal_cancer GAP_HIGH 0.1538 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in vaginal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) ibuprofen vulva_cancer GAP_HIGH 0.1538 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in vulva_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) nimodipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1538 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine prostate_cancer GAP_HIGH 0.1538 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in prostate_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) papaverine duodenum_cancer GAP_HIGH 0.1538 0.21739130434782608 naftifine High-priority: Binding assay papaverine→?; validate in duodenum_cancer cell model. Expected: similar to naftifine (Jaccard=0.22) papaverine gallbladder_cancer GAP_HIGH 0.1538 0.21739130434782608 naftifine High-priority: Binding assay papaverine→?; validate in gallbladder_cancer cell model. Expected: similar to naftifine (Jaccard=0.22) esmolol membranous_glomerulonephritis GAP_HIGH 0.1538 0.21212121212121213 fenoprofen High-priority: Binding assay esmolol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.21) methylphenobarbital muscle_cancer GAP_HIGH 0.1538 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.21) glutethimide chronic_kidney_failure GAP_HIGH 0.1538 0.18181818181818182 chlorprothixene High-priority: Binding assay glutethimide→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.18) aminophenazone gout GAP_LOW 0.1538 0.14285714285714285 melatonin Low-priority: Computational docking aminophenazone vs gout targets. Cross-check aminophenazone pharmacophore against gout pathway. aminophenazone primary_biliary_cirrhosis GAP_LOW 0.1538 0.14285714285714285 raloxifene Low-priority: Computational docking aminophenazone vs primary_biliary_cirrhosis targets. Cross-check aminophenazone pharmacophore against primary_biliary_cirrhosis pathway. flutamide larynx_cancer GAP_LOW 0.1538 0.14285714285714285 docetaxel Low-priority: Computational docking flutamide vs larynx_cancer targets. Cross-check flutamide pharmacophore against larynx_cancer pathway. methylphenobarbital alcohol_dependence GAP_LOW 0.1538 0.09090909090909091 mazindol Low-priority: Computational docking methylphenobarbital vs alcohol_dependence targets. Cross-check methylphenobarbital pharmacophore against alcohol_dependence pathway. alverine barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking alverine vs barretts_esophagus targets. Cross-check alverine pharmacophore against barretts_esophagus pathway. clodronate barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking clodronate vs barretts_esophagus targets. Cross-check clodronate pharmacophore against barretts_esophagus pathway. dextroamphetamine barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking dextroamphetamine vs barretts_esophagus targets. Cross-check dextroamphetamine pharmacophore against barretts_esophagus pathway. docetaxel barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking docetaxel vs barretts_esophagus targets. Cross-check docetaxel pharmacophore against barretts_esophagus pathway. doxorubicin barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking doxorubicin vs barretts_esophagus targets. Cross-check doxorubicin pharmacophore against barretts_esophagus pathway. entecavir barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking entecavir vs barretts_esophagus targets. Cross-check entecavir pharmacophore against barretts_esophagus pathway. nortriptyline barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking nortriptyline vs barretts_esophagus targets. Cross-check nortriptyline pharmacophore against barretts_esophagus pathway. sunitinib barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking sunitinib vs barretts_esophagus targets. Cross-check sunitinib pharmacophore against barretts_esophagus pathway. vandetanib barretts_esophagus GAP_LOW 0.1538 0.0 pantoprazole Low-priority: Computational docking vandetanib vs barretts_esophagus targets. Cross-check vandetanib pharmacophore against barretts_esophagus pathway. fentanyl chronic_kidney_failure GAP_HIGH 0.1537 0.5555555555555556 diphenylpyraline High-priority: Binding assay fentanyl→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.56) methotrimeprazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1537 0.5384615384615384 perphenazine High-priority: Binding assay methotrimeprazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to perphenazine (Jaccard=0.54) aminosalicylic_acid germ_cell_cancer GAP_HIGH 0.1537 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) fluticasone_propionate obesity GAP_HIGH 0.1537 0.5 betamethasone High-priority: Binding assay fluticasone_propionate→?; validate in obesity cell model. Expected: similar to betamethasone (Jaccard=0.50) glucosamine skin_cancer GAP_HIGH 0.1537 0.46153846153846156 clofarabine High-priority: Binding assay glucosamine→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.46) arbutamine bipolar_disorder GAP_HIGH 0.1537 0.4 ritodrine High-priority: Binding assay arbutamine→?; validate in bipolar_disorder cell model. Expected: similar to ritodrine (Jaccard=0.40) mestranol thyroid_cancer GAP_HIGH 0.1537 0.4 estrone High-priority: Binding assay mestranol→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.40) orciprenaline ulcerative_colitis GAP_HIGH 0.1537 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in ulcerative_colitis cell model. Expected: similar to methyldopa (Jaccard=0.33) desogestrel pharynx_cancer GAP_HIGH 0.1537 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) epinephrine breast_cancer GAP_HIGH 0.1537 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine colon_cancer GAP_HIGH 0.1537 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clotiazepam vaginal_cancer GAP_HIGH 0.1537 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) clotiazepam vulva_cancer GAP_HIGH 0.1537 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) ritodrine ulcerative_colitis GAP_HIGH 0.1537 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline duodenum_cancer GAP_HIGH 0.1537 0.25 vincristine High-priority: Binding assay choline→?; validate in duodenum_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) choline gallbladder_cancer GAP_HIGH 0.1537 0.25 vincristine High-priority: Binding assay choline→?; validate in gallbladder_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) choline melanoma GAP_HIGH 0.1537 0.25 diflorasone High-priority: Binding assay choline→?; validate in melanoma cell model. Expected: similar to diflorasone (Jaccard=0.25) ibuprofen vascular_cancer GAP_HIGH 0.1537 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in vascular_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) l-carnitine salivary_gland_cancer GAP_HIGH 0.1537 0.23076923076923078 bimatoprost High-priority: Binding assay l-carnitine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.23) pentostatin polycystic_ovary_syndrome GAP_HIGH 0.1537 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gemcitabine (Jaccard=0.22) pentostatin type_2_diabetes_mellitus GAP_HIGH 0.1537 0.2222222222222222 gemcitabine High-priority: Binding assay pentostatin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.22) pentobarbital gout GAP_HIGH 0.1537 0.17391304347826086 methdilazine High-priority: Binding assay pentobarbital→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.17) flutamide azoospermia GAP_HIGH 0.1537 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in azoospermia cell model. Expected: similar to butenafine (Jaccard=0.17) losartan larynx_cancer GAP_HIGH 0.1537 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) pirbuterol leprosy GAP_HIGH 0.1537 0.16666666666666666 lenalidomide High-priority: Binding assay pirbuterol→?; validate in leprosy cell model. Expected: similar to lenalidomide (Jaccard=0.17) primidone alcohol_dependence GAP_LOW 0.1537 0.06666666666666667 levorphanol Low-priority: Computational docking primidone vs alcohol_dependence targets. Cross-check primidone pharmacophore against alcohol_dependence pathway. naproxen colon_cancer GAP_HIGH 0.1536 0.5 suprofen High-priority: Binding assay naproxen→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.50) ethinyl_estradiol celiac_disease GAP_HIGH 0.1536 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.47) masoprocol type_1_diabetes_mellitus GAP_HIGH 0.1536 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to carbidopa (Jaccard=0.43) phenoxybenzamine ankylosing_spondylitis GAP_HIGH 0.1536 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.42) orphenadrine melanoma GAP_HIGH 0.1536 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in melanoma cell model. Expected: similar to isopropamide (Jaccard=0.40) chloroprocaine atherosclerosis GAP_HIGH 0.1536 0.35714285714285715 clofibrate High-priority: Binding assay chloroprocaine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.36) orciprenaline osteoporosis GAP_HIGH 0.1536 0.3333333333333333 methyldopa High-priority: Binding assay orciprenaline→?; validate in osteoporosis cell model. Expected: similar to methyldopa (Jaccard=0.33) practolol hematologic_cancer GAP_HIGH 0.1536 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in hematologic_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol narcolepsy GAP_HIGH 0.1536 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in narcolepsy cell model. Expected: similar to l-tyrosine (Jaccard=0.31) epinephrine bipolar_disorder GAP_HIGH 0.1536 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in bipolar_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clotiazepam testicular_cancer GAP_HIGH 0.1536 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.29) arformoterol sclerosing_cholangitis GAP_HIGH 0.1536 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) ritodrine osteoporosis GAP_HIGH 0.1536 0.2727272727272727 etoricoxib High-priority: Binding assay ritodrine→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.27) carvedilol ulcerative_colitis GAP_HIGH 0.1536 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in ulcerative_colitis cell model. Expected: similar to docetaxel (Jaccard=0.25) nimodipine mediastinal_cancer GAP_HIGH 0.1536 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in mediastinal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) ceruletide pancreatitis GAP_HIGH 0.1536 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in pancreatitis cell model. Expected: similar to goserelin (Jaccard=0.20) caffeine metabolic_syndrome_x GAP_HIGH 0.1536 0.18181818181818182 colchicine High-priority: Binding assay caffeine→?; validate in metabolic_syndrome_x cell model. Expected: similar to colchicine (Jaccard=0.18) heptabarbital thyroid_cancer GAP_HIGH 0.1536 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) amobarbital urinary_bladder_cancer GAP_HIGH 0.1536 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) irbesartan meningioma GAP_HIGH 0.1536 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in meningioma cell model. Expected: similar to vinblastine (Jaccard=0.17) alpha-linolenic_acid hepatitis_b GAP_LOW 0.1536 0.058823529411764705 trandolapril Low-priority: Computational docking alpha-linolenic_acid vs hepatitis_b targets. Cross-check alpha-linolenic_acid pharmacophore against hepatitis_b pathway. testosterone_propionate pharynx_cancer GAP_HIGH 0.1535 0.5 progesterone High-priority: Binding assay testosterone_propionate→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.50) phenoxybenzamine thyroid_cancer GAP_HIGH 0.1535 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) arbutamine migraine GAP_HIGH 0.1535 0.4 ritodrine High-priority: Binding assay arbutamine→?; validate in migraine cell model. Expected: similar to ritodrine (Jaccard=0.40) vismodegib atherosclerosis GAP_HIGH 0.1535 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in atherosclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) cyproheptadine ankylosing_spondylitis GAP_HIGH 0.1535 0.3333333333333333 azatadine High-priority: Binding assay cyproheptadine→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.33) etonogestrel idiopathic_pulmonary_fibrosis GAP_HIGH 0.1535 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to spironolactone (Jaccard=0.33) nilotinib colon_cancer GAP_HIGH 0.1535 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.33) ketazolam prostate_cancer GAP_HIGH 0.1535 0.3181818181818182 azelastine High-priority: Binding assay ketazolam→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) epinephrine endogenous_depression GAP_HIGH 0.1535 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in endogenous_depression cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine osteoporosis GAP_HIGH 0.1535 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in osteoporosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine ulcerative_colitis GAP_HIGH 0.1535 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in ulcerative_colitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) nimodipine thymus_cancer GAP_HIGH 0.1535 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in thymus_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) ibuprofen kidney_cancer GAP_HIGH 0.1535 0.2 docetaxel High-priority: Binding assay ibuprofen→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.20) telbivudine osteoporosis GAP_HIGH 0.1535 0.1875 ribavirin High-priority: Binding assay telbivudine→?; validate in osteoporosis cell model. Expected: similar to ribavirin (Jaccard=0.19) dinoprost_tromethamine systemic_scleroderma GAP_HIGH 0.1535 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in systemic_scleroderma cell model. Expected: similar to pazopanib (Jaccard=0.15) aminolevulinic_acid hematologic_cancer GAP_LOW 0.1535 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs hematologic_cancer targets. Cross-check aminolevulinic_acid pharmacophore against hematologic_cancer pathway. arbutamine type_1_diabetes_mellitus GAP_HIGH 0.1534 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to droxidopa (Jaccard=0.35) topotecan type_1_diabetes_mellitus GAP_HIGH 0.1534 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclandelate (Jaccard=0.33) desogestrel thyroid_cancer GAP_HIGH 0.1534 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in thyroid_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) epinephrine migraine GAP_HIGH 0.1534 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in migraine cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) epinephrine multiple_sclerosis GAP_HIGH 0.1534 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in multiple_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) choline sclerosing_cholangitis GAP_HIGH 0.1534 0.25 vincristine High-priority: Binding assay choline→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.25) ibuprofen uterine_fibroid GAP_HIGH 0.1534 0.25 paclitaxel High-priority: Binding assay ibuprofen→?; validate in uterine_fibroid cell model. Expected: similar to paclitaxel (Jaccard=0.25) methylphenobarbital urinary_bladder_cancer GAP_HIGH 0.1534 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.21) ceruletide muscle_cancer GAP_HIGH 0.1534 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in muscle_cancer cell model. Expected: similar to goserelin (Jaccard=0.20) benzthiazide penile_cancer GAP_HIGH 0.1534 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) epoprostenol germ_cell_cancer GAP_HIGH 0.1534 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.15) l-arginine acquired_immunodeficiency_syndrome GAP_HIGH 0.1534 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.15) dinoprost_tromethamine duodenum_cancer GAP_LOW 0.1534 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs duodenum_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against duodenum_cancer pathway. dinoprost_tromethamine gallbladder_cancer GAP_LOW 0.1534 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs gallbladder_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against gallbladder_cancer pathway. dronedarone creutzfeldt-jakob_disease GAP_LOW 0.1534 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs creutzfeldt-jakob_disease targets. Cross-check dronedarone pharmacophore against creutzfeldt-jakob_disease pathway. sodium_lauryl_sulfate breast_cancer GAP_LOW 0.1534 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs breast_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against breast_cancer pathway. vitamin_c azoospermia GAP_LOW 0.1534 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking vitamin_c vs azoospermia targets. Cross-check vitamin_c pharmacophore against azoospermia pathway. dextrothyroxine sclerosing_cholangitis GAP_LOW 0.1534 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs sclerosing_cholangitis targets. Cross-check dextrothyroxine pharmacophore against sclerosing_cholangitis pathway. dinoprost_tromethamine dilated_cardiomyopathy GAP_LOW 0.1534 0.07692307692307693 medrysone Low-priority: Computational docking dinoprost_tromethamine vs dilated_cardiomyopathy targets. Cross-check dinoprost_tromethamine pharmacophore against dilated_cardiomyopathy pathway. captopril leprosy GAP_LOW 0.1534 0.0625 pomalidomide Low-priority: Computational docking captopril vs leprosy targets. Cross-check captopril pharmacophore against leprosy pathway. flurbiprofen membranous_glomerulonephritis GAP_HIGH 0.1533 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.53) naproxen migraine GAP_HIGH 0.1533 0.5 suprofen High-priority: Binding assay naproxen→?; validate in migraine cell model. Expected: similar to suprofen (Jaccard=0.50) antazoline thyroid_cancer GAP_HIGH 0.1533 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) danazol meningioma GAP_HIGH 0.1533 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in meningioma cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens ankylosing_spondylitis GAP_HIGH 0.1533 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in ankylosing_spondylitis cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine alzheimers_disease GAP_HIGH 0.1533 0.3333333333333333 salbutamol High-priority: Binding assay dobutamine→?; validate in alzheimers_disease cell model. Expected: similar to salbutamol (Jaccard=0.33) dobutamine parkinsons_disease GAP_HIGH 0.1533 0.3333333333333333 salbutamol High-priority: Binding assay dobutamine→?; validate in parkinsons_disease cell model. Expected: similar to salbutamol (Jaccard=0.33) indomethacin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1533 0.3333333333333333 montelukast High-priority: Binding assay indomethacin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to montelukast (Jaccard=0.33) nilotinib psoriasis GAP_HIGH 0.1533 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.33) quinacrine urinary_bladder_cancer GAP_HIGH 0.1533 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) arformoterol chronic_kidney_failure GAP_HIGH 0.1533 0.25 benzthiazide High-priority: Binding assay arformoterol→?; validate in chronic_kidney_failure cell model. Expected: similar to benzthiazide (Jaccard=0.25) nimodipine hematologic_cancer GAP_HIGH 0.1533 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in hematologic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine narcolepsy GAP_HIGH 0.1533 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in narcolepsy cell model. Expected: similar to ifenprodil (Jaccard=0.23) pentobarbital vascular_cancer GAP_HIGH 0.1533 0.19230769230769232 chlorpromazine High-priority: Binding assay pentobarbital→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.19) aprobarbital melanoma GAP_HIGH 0.1533 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.17) butethal melanoma GAP_HIGH 0.1533 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.17) emtricitabine brain_cancer GAP_HIGH 0.1533 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in brain_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) emtricitabine intracranial_aneurysm GAP_HIGH 0.1533 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in intracranial_aneurysm cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) chlorpromazine kidney_cancer GAP_HIGH 0.1532 0.56 quinacrine High-priority: Binding assay chlorpromazine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.56) sunitinib pancreatic_cancer GAP_HIGH 0.1532 0.47058823529411764 pazopanib High-priority: Binding assay sunitinib→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.47) benzphetamine germ_cell_cancer GAP_HIGH 0.1532 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) cyclizine type_1_diabetes_mellitus GAP_HIGH 0.1532 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.42) phenoxybenzamine pancreatitis GAP_HIGH 0.1532 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in pancreatitis cell model. Expected: similar to tamoxifen (Jaccard=0.42) arbutamine systemic_lupus_erythematosus GAP_HIGH 0.1532 0.4 orciprenaline High-priority: Binding assay arbutamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to orciprenaline (Jaccard=0.40) mestranol muscle_cancer GAP_HIGH 0.1532 0.4 estrone High-priority: Binding assay mestranol→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.40) levonorgestrel thyroid_cancer GAP_HIGH 0.1532 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in thyroid_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) acenocoumarol focal_segmental_glomerulosclerosis GAP_HIGH 0.1532 0.3333333333333333 chlorprothixene High-priority: Binding assay acenocoumarol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.33) conjugated_estrogens thyroid_cancer GAP_HIGH 0.1532 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.33) nilotinib osteoporosis GAP_HIGH 0.1532 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.33) epinephrine systemic_lupus_erythematosus GAP_HIGH 0.1532 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) clotiazepam uterine_fibroid GAP_HIGH 0.1532 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.29) diethylpropion acquired_immunodeficiency_syndrome GAP_HIGH 0.1532 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.29) benzthiazide malignant_mesothelioma GAP_HIGH 0.1532 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.17) carboprost_tromethamine duodenum_cancer GAP_HIGH 0.1532 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in duodenum_cancer cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine gallbladder_cancer GAP_HIGH 0.1532 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in gallbladder_cancer cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine melanoma GAP_HIGH 0.1532 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.15) equilin membranous_glomerulonephritis GAP_LOW 0.1532 0.11764705882352941 dimetacrine Low-priority: Computational docking equilin vs membranous_glomerulonephritis targets. Cross-check equilin pharmacophore against membranous_glomerulonephritis pathway. lubiprostone pancreatitis GAP_LOW 0.1532 0.11764705882352941 exemestane Low-priority: Computational docking lubiprostone vs pancreatitis targets. Cross-check lubiprostone pharmacophore against pancreatitis pathway. dextrothyroxine malignant_mesothelioma GAP_LOW 0.1532 0.09090909090909091 mesalazine Low-priority: Computational docking dextrothyroxine vs malignant_mesothelioma targets. Cross-check dextrothyroxine pharmacophore against malignant_mesothelioma pathway. alpha-linolenic_acid germ_cell_cancer GAP_LOW 0.1532 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs germ_cell_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against germ_cell_cancer pathway. nisoldipine leprosy GAP_LOW 0.1532 0.08333333333333333 phenmetrazine Low-priority: Computational docking nisoldipine vs leprosy targets. Cross-check nisoldipine pharmacophore against leprosy pathway. antazoline barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking antazoline vs barretts_esophagus targets. Cross-check antazoline pharmacophore against barretts_esophagus pathway. cinnarizine barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking cinnarizine vs barretts_esophagus targets. Cross-check cinnarizine pharmacophore against barretts_esophagus pathway. diphenidol barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking diphenidol vs barretts_esophagus targets. Cross-check diphenidol pharmacophore against barretts_esophagus pathway. flurbiprofen barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking flurbiprofen vs barretts_esophagus targets. Cross-check flurbiprofen pharmacophore against barretts_esophagus pathway. pazopanib barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking pazopanib vs barretts_esophagus targets. Cross-check pazopanib pharmacophore against barretts_esophagus pathway. phensuximide barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking phensuximide vs barretts_esophagus targets. Cross-check phensuximide pharmacophore against barretts_esophagus pathway. sulfapyridine barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking sulfapyridine vs barretts_esophagus targets. Cross-check sulfapyridine pharmacophore against barretts_esophagus pathway. teniposide barretts_esophagus GAP_LOW 0.1532 0.0 pantoprazole Low-priority: Computational docking teniposide vs barretts_esophagus targets. Cross-check teniposide pharmacophore against barretts_esophagus pathway. aminosalicylic_acid penile_cancer GAP_HIGH 0.1531 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) fluticasone_propionate type_2_diabetes_mellitus GAP_HIGH 0.1531 0.5 betamethasone High-priority: Binding assay fluticasone_propionate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.50) naproxen systemic_lupus_erythematosus GAP_HIGH 0.1531 0.5 suprofen High-priority: Binding assay naproxen→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to suprofen (Jaccard=0.50) clonazepam muscle_cancer GAP_HIGH 0.1531 0.44 azelastine High-priority: Binding assay clonazepam→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) ifenprodil coronary_artery_disease GAP_HIGH 0.1531 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in coronary_artery_disease cell model. Expected: similar to fentanyl (Jaccard=0.41) conjugated_estrogens chronic_obstructive_pulmonary_disease GAP_HIGH 0.1531 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to estrone (Jaccard=0.33) allylestrenol mediastinal_cancer GAP_HIGH 0.1531 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.30) allylestrenol primary_biliary_cirrhosis GAP_HIGH 0.1531 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fulvestrant (Jaccard=0.30) arformoterol ankylosing_spondylitis GAP_HIGH 0.1531 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) tofisopam meningioma GAP_HIGH 0.1531 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) ranolazine penile_cancer GAP_HIGH 0.1531 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) primidone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1531 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenytoin (Jaccard=0.17) dronedarone malignant_mesothelioma GAP_LOW 0.1531 0.125 ifenprodil Low-priority: Computational docking dronedarone vs malignant_mesothelioma targets. Cross-check dronedarone pharmacophore against malignant_mesothelioma pathway. sodium_lauryl_sulfate uterine_cancer GAP_LOW 0.1531 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs uterine_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against uterine_cancer pathway. vandetanib duodenum_cancer GAP_HIGH 0.153 0.6060606060606061 gefitinib High-priority: Binding assay vandetanib→?; validate in duodenum_cancer cell model. Expected: similar to gefitinib (Jaccard=0.61) vandetanib gallbladder_cancer GAP_HIGH 0.153 0.6060606060606061 gefitinib High-priority: Binding assay vandetanib→?; validate in gallbladder_cancer cell model. Expected: similar to gefitinib (Jaccard=0.61) estradiol restless_legs_syndrome GAP_HIGH 0.153 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.54) phenoxybenzamine muscle_cancer GAP_HIGH 0.153 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) bromodiphenhydramine membranous_glomerulonephritis GAP_HIGH 0.153 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.40) mestranol ocular_cancer GAP_HIGH 0.153 0.4 estrone High-priority: Binding assay mestranol→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.40) selegiline breast_cancer GAP_HIGH 0.153 0.375 phentermine High-priority: Binding assay selegiline→?; validate in breast_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) vinblastine germ_cell_cancer GAP_HIGH 0.153 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in germ_cell_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) danazol crohns_disease GAP_HIGH 0.153 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in crohns_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) chloroprocaine malaria GAP_HIGH 0.153 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.36) dobutamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.153 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) etonogestrel coronary_artery_disease GAP_HIGH 0.153 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in coronary_artery_disease cell model. Expected: similar to spironolactone (Jaccard=0.33) l-phenylalanine idiopathic_pulmonary_fibrosis GAP_HIGH 0.153 0.3333333333333333 selegiline High-priority: Binding assay l-phenylalanine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to selegiline (Jaccard=0.33) salbutamol duodenum_cancer GAP_HIGH 0.153 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol gallbladder_cancer GAP_HIGH 0.153 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) ketazolam hematologic_cancer GAP_HIGH 0.153 0.3181818181818182 azelastine High-priority: Binding assay ketazolam→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) desogestrel salivary_gland_cancer GAP_HIGH 0.153 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) allylestrenol thymus_cancer GAP_HIGH 0.153 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.30) arformoterol thyroid_cancer GAP_HIGH 0.153 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline pharynx_cancer GAP_HIGH 0.153 0.25 diflorasone High-priority: Binding assay choline→?; validate in pharynx_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) ibuprofen vitiligo GAP_HIGH 0.153 0.25 indomethacin High-priority: Binding assay ibuprofen→?; validate in vitiligo cell model. Expected: similar to indomethacin (Jaccard=0.25) prazepam malaria GAP_HIGH 0.153 0.19047619047619047 antipyrine High-priority: Binding assay prazepam→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.19) telbivudine osteoarthritis GAP_HIGH 0.153 0.1875 ribavirin High-priority: Binding assay telbivudine→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.19) estriol refractive_error GAP_HIGH 0.153 0.16666666666666666 choline High-priority: Binding assay estriol→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) methacholine hypertension GAP_LOW 0.153 0.125 ergocalciferol Low-priority: Computational docking methacholine vs hypertension targets. Cross-check methacholine pharmacophore against hypertension pathway. doxycycline esophageal_cancer GAP_LOW 0.153 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs esophageal_cancer targets. Cross-check doxycycline pharmacophore against esophageal_cancer pathway. penicillamine atherosclerosis GAP_LOW 0.153 0.07142857142857142 phenylpropanolamine Low-priority: Computational docking penicillamine vs atherosclerosis targets. Cross-check penicillamine pharmacophore against atherosclerosis pathway. tetracycline gestational_diabetes GAP_LOW 0.153 0.058823529411764705 tolbutamide Low-priority: Computational docking tetracycline vs gestational_diabetes targets. Cross-check tetracycline pharmacophore against gestational_diabetes pathway. betamethasone ankylosing_spondylitis GAP_HIGH 0.1529 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in ankylosing_spondylitis cell model. Expected: similar to amcinonide (Jaccard=0.59) estradiol vitiligo GAP_HIGH 0.1529 0.5384615384615384 estrone High-priority: Binding assay estradiol→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.54) aminosalicylic_acid malignant_mesothelioma GAP_HIGH 0.1529 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.50) phenoxybenzamine lung_cancer GAP_HIGH 0.1529 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in lung_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) phenoxybenzamine rectum_cancer GAP_HIGH 0.1529 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) thalidomide narcolepsy GAP_HIGH 0.1529 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.36) ethotoin hematologic_cancer GAP_HIGH 0.1529 0.3333333333333333 phensuximide High-priority: Binding assay ethotoin→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.33) nilotinib metabolic_syndrome_x GAP_HIGH 0.1529 0.3333333333333333 captopril High-priority: Binding assay nilotinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to captopril (Jaccard=0.33) epinephrine osteoarthritis GAP_HIGH 0.1529 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in osteoarthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) aspartame gilles_de_la_tourette_syndrome GAP_HIGH 0.1529 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.29) clotiazepam polycystic_ovary_syndrome GAP_HIGH 0.1529 0.2857142857142857 clobazam High-priority: Binding assay clotiazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.29) choline ankylosing_spondylitis GAP_HIGH 0.1529 0.25 diflorasone High-priority: Binding assay choline→?; validate in ankylosing_spondylitis cell model. Expected: similar to diflorasone (Jaccard=0.25) metaraminol coronary_artery_disease GAP_HIGH 0.1529 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in coronary_artery_disease cell model. Expected: similar to nefazodone (Jaccard=0.25) metaraminol hematologic_cancer GAP_HIGH 0.1529 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in hematologic_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) ceruletide peripheral_nervous_system_neoplasm GAP_HIGH 0.1529 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to goserelin (Jaccard=0.20) irbesartan prostate_cancer GAP_HIGH 0.1529 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in prostate_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) dextrothyroxine ankylosing_spondylitis GAP_LOW 0.1529 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs ankylosing_spondylitis targets. Cross-check dextrothyroxine pharmacophore against ankylosing_spondylitis pathway. sodium_tetradecyl_sulfate duodenum_cancer GAP_LOW 0.1529 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs duodenum_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against duodenum_cancer pathway. sodium_tetradecyl_sulfate gallbladder_cancer GAP_LOW 0.1529 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs gallbladder_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against gallbladder_cancer pathway. l-cystine acquired_immunodeficiency_syndrome GAP_LOW 0.1529 0.02666666666666667 adenosine_monophosphate Low-priority: Computational docking l-cystine vs acquired_immunodeficiency_syndrome targets. Cross-check l-cystine pharmacophore against acquired_immunodeficiency_syndrome pathway. naproxen osteoarthritis GAP_HIGH 0.1528 0.5 suprofen High-priority: Binding assay naproxen→?; validate in osteoarthritis cell model. Expected: similar to suprofen (Jaccard=0.50) testosterone_propionate salivary_gland_cancer GAP_HIGH 0.1528 0.5 progesterone High-priority: Binding assay testosterone_propionate→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.50) phenprocoumon melanoma GAP_HIGH 0.1528 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in melanoma cell model. Expected: similar to warfarin (Jaccard=0.46) antazoline muscle_cancer GAP_HIGH 0.1528 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) selegiline pancreatic_cancer GAP_HIGH 0.1528 0.375 phentermine High-priority: Binding assay selegiline→?; validate in pancreatic_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) selegiline ulcerative_colitis GAP_HIGH 0.1528 0.375 phentermine High-priority: Binding assay selegiline→?; validate in ulcerative_colitis cell model. Expected: similar to phentermine (Jaccard=0.38) ethylmorphine epilepsy_syndrome GAP_HIGH 0.1528 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in epilepsy_syndrome cell model. Expected: similar to doxapram (Jaccard=0.33) indomethacin narcolepsy GAP_HIGH 0.1528 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in narcolepsy cell model. Expected: similar to ketoprofen (Jaccard=0.33) tamsulosin creutzfeldt-jakob_disease GAP_HIGH 0.1528 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to propafenone (Jaccard=0.33) practolol duodenum_cancer GAP_HIGH 0.1528 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in duodenum_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol gallbladder_cancer GAP_HIGH 0.1528 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in gallbladder_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) choline thyroid_cancer GAP_HIGH 0.1528 0.25 diflorasone High-priority: Binding assay choline→?; validate in thyroid_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) isradipine germ_cell_cancer GAP_HIGH 0.1528 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in germ_cell_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) carboprost_tromethamine sclerosing_cholangitis GAP_HIGH 0.1528 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.15) dinoprost_tromethamine rheumatoid_arthritis GAP_HIGH 0.1528 0.15384615384615385 pazopanib High-priority: Binding assay dinoprost_tromethamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to pazopanib (Jaccard=0.15) epoprostenol penile_cancer GAP_HIGH 0.1528 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.15) ranolazine acquired_immunodeficiency_syndrome GAP_LOW 0.1528 0.11764705882352941 mitiglinide Low-priority: Computational docking ranolazine vs acquired_immunodeficiency_syndrome targets. Cross-check ranolazine pharmacophore against acquired_immunodeficiency_syndrome pathway. baclofen acquired_immunodeficiency_syndrome GAP_LOW 0.1528 0.09090909090909091 alvimopan Low-priority: Computational docking baclofen vs acquired_immunodeficiency_syndrome targets. Cross-check baclofen pharmacophore against acquired_immunodeficiency_syndrome pathway. sodium_tetradecyl_sulfate esophageal_cancer GAP_LOW 0.1528 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs esophageal_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against esophageal_cancer pathway. amcinonide barretts_esophagus GAP_LOW 0.1528 0.06666666666666667 pantoprazole Low-priority: Computational docking amcinonide vs barretts_esophagus targets. Cross-check amcinonide pharmacophore against barretts_esophagus pathway. baclofen leprosy GAP_LOW 0.1528 0.038461538461538464 sulfapyridine Low-priority: Computational docking baclofen vs leprosy targets. Cross-check baclofen pharmacophore against leprosy pathway. clofibrate pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking clofibrate vs pagets_disease_of_bone targets. Cross-check clofibrate pharmacophore against pagets_disease_of_bone pathway. l-arginine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-arginine vs pagets_disease_of_bone targets. Cross-check l-arginine pharmacophore against pagets_disease_of_bone pathway. l-asparagine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-asparagine vs pagets_disease_of_bone targets. Cross-check l-asparagine pharmacophore against pagets_disease_of_bone pathway. l-aspartic_acid pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-aspartic_acid vs pagets_disease_of_bone targets. Cross-check l-aspartic_acid pharmacophore against pagets_disease_of_bone pathway. l-carnitine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-carnitine vs pagets_disease_of_bone targets. Cross-check l-carnitine pharmacophore against pagets_disease_of_bone pathway. l-citrulline pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-citrulline vs pagets_disease_of_bone targets. Cross-check l-citrulline pharmacophore against pagets_disease_of_bone pathway. l-cysteine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-cysteine vs pagets_disease_of_bone targets. Cross-check l-cysteine pharmacophore against pagets_disease_of_bone pathway. l-methionine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-methionine vs pagets_disease_of_bone targets. Cross-check l-methionine pharmacophore against pagets_disease_of_bone pathway. l-ornithine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking l-ornithine vs pagets_disease_of_bone targets. Cross-check l-ornithine pharmacophore against pagets_disease_of_bone pathway. linaclotide pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking linaclotide vs pagets_disease_of_bone targets. Cross-check linaclotide pharmacophore against pagets_disease_of_bone pathway. pyrimethamine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking pyrimethamine vs pagets_disease_of_bone targets. Cross-check pyrimethamine pharmacophore against pagets_disease_of_bone pathway. quinacrine pagets_disease_of_bone GAP_LOW 0.1528 0.0 ibandronate Low-priority: Computational docking quinacrine vs pagets_disease_of_bone targets. Cross-check quinacrine pharmacophore against pagets_disease_of_bone pathway. phenoxybenzamine liver_cancer GAP_HIGH 0.1527 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) clonidine type_1_diabetes_mellitus GAP_HIGH 0.1527 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.41) mestranol peripheral_nervous_system_neoplasm GAP_HIGH 0.1527 0.4 estrone High-priority: Binding assay mestranol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.40) orphenadrine thyroid_cancer GAP_HIGH 0.1527 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) aceprometazine gout GAP_HIGH 0.1527 0.375 promethazine High-priority: Binding assay aceprometazine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.38) conjugated_estrogens muscle_cancer GAP_HIGH 0.1527 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine panic_disorder GAP_HIGH 0.1527 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in panic_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) dobutamine schizophrenia GAP_HIGH 0.1527 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in schizophrenia cell model. Expected: similar to mebendazole (Jaccard=0.33) nilotinib osteoarthritis GAP_HIGH 0.1527 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.33) trilostane primary_biliary_cirrhosis GAP_HIGH 0.1527 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to prednisone (Jaccard=0.33) ethotoin kidney_cancer GAP_HIGH 0.1527 0.3103448275862069 quinacrine High-priority: Binding assay ethotoin→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.31) pemetrexed colon_cancer GAP_HIGH 0.1527 0.2857142857142857 gemcitabine High-priority: Binding assay pemetrexed→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) arformoterol pancreatitis GAP_HIGH 0.1527 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline chronic_obstructive_pulmonary_disease GAP_HIGH 0.1527 0.25 diflorasone High-priority: Binding assay choline→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to diflorasone (Jaccard=0.25) zolpidem idiopathic_pulmonary_fibrosis GAP_HIGH 0.1527 0.25 pefloxacin High-priority: Binding assay zolpidem→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to pefloxacin (Jaccard=0.25) heptabarbital urinary_bladder_cancer GAP_HIGH 0.1527 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) amobarbital sarcoma GAP_HIGH 0.1527 0.16666666666666666 phenytoin High-priority: Binding assay amobarbital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.17) irbesartan mediastinal_cancer GAP_HIGH 0.1527 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in mediastinal_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) ranolazine type_1_diabetes_mellitus GAP_HIGH 0.1527 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.17) quinapril brain_cancer GAP_HIGH 0.1527 0.15384615384615385 doxorubicin High-priority: Binding assay quinapril→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.15) quinapril intracranial_aneurysm GAP_HIGH 0.1527 0.15384615384615385 doxorubicin High-priority: Binding assay quinapril→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.15) benzthiazide focal_segmental_glomerulosclerosis GAP_LOW 0.1527 0.15 tamsulosin Low-priority: Computational docking benzthiazide vs focal_segmental_glomerulosclerosis targets. Cross-check benzthiazide pharmacophore against focal_segmental_glomerulosclerosis pathway. aminophenazone duodenum_cancer GAP_LOW 0.1527 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs duodenum_cancer targets. Cross-check aminophenazone pharmacophore against duodenum_cancer pathway. aminophenazone gallbladder_cancer GAP_LOW 0.1527 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs gallbladder_cancer targets. Cross-check aminophenazone pharmacophore against gallbladder_cancer pathway. dinoprost_tromethamine celiac_disease GAP_LOW 0.1527 0.125 sorafenib Low-priority: Computational docking dinoprost_tromethamine vs celiac_disease targets. Cross-check dinoprost_tromethamine pharmacophore against celiac_disease pathway. tamoxifen celiac_disease GAP_HIGH 0.1526 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) fluoxymesterone celiac_disease GAP_HIGH 0.1526 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in celiac_disease cell model. Expected: similar to hydrocortisone (Jaccard=0.52) nortriptyline coronary_artery_disease GAP_HIGH 0.1526 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in coronary_artery_disease cell model. Expected: similar to doxepin (Jaccard=0.50) nortriptyline narcolepsy GAP_HIGH 0.1526 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in narcolepsy cell model. Expected: similar to doxepin (Jaccard=0.50) l-glutamine pharynx_cancer GAP_HIGH 0.1526 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) danazol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1526 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to spironolactone (Jaccard=0.36) dobutamine conduct_disorder GAP_HIGH 0.1526 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in conduct_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) chlorpropamide atopic_dermatitis GAP_HIGH 0.1526 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.32) norepinephrine celiac_disease GAP_HIGH 0.1526 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in celiac_disease cell model. Expected: similar to droxidopa (Jaccard=0.27) amlodipine restless_legs_syndrome GAP_HIGH 0.1526 0.25 ezetimibe High-priority: Binding assay amlodipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) dopamine esophageal_cancer GAP_HIGH 0.1526 0.25 vincristine High-priority: Binding assay dopamine→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) captopril brain_cancer GAP_HIGH 0.1526 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) captopril intracranial_aneurysm GAP_HIGH 0.1526 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.20) benzthiazide meningioma GAP_HIGH 0.1526 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan primary_biliary_cirrhosis GAP_HIGH 0.1526 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan thymus_cancer GAP_HIGH 0.1526 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in thymus_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) zolmitriptan atherosclerosis GAP_LOW 0.1526 0.125 naproxen Low-priority: Computational docking zolmitriptan vs atherosclerosis targets. Cross-check zolmitriptan pharmacophore against atherosclerosis pathway. alpha-linolenic_acid penile_cancer GAP_LOW 0.1526 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs penile_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against penile_cancer pathway. primidone dilated_cardiomyopathy GAP_LOW 0.1526 0.06666666666666667 rimexolone Low-priority: Computational docking primidone vs dilated_cardiomyopathy targets. Cross-check primidone pharmacophore against dilated_cardiomyopathy pathway. riboflavin bone_cancer GAP_LOW 0.1526 0.04 tetrahydrofolic_acid Low-priority: Computational docking riboflavin vs bone_cancer targets. Cross-check riboflavin pharmacophore against bone_cancer pathway. alpha-linolenic_acid bone_cancer GAP_LOW 0.1526 0.0 ibandronate Low-priority: Computational docking alpha-linolenic_acid vs bone_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against bone_cancer pathway. azatadine barretts_esophagus GAP_LOW 0.1526 0.0 pantoprazole Low-priority: Computational docking azatadine vs barretts_esophagus targets. Cross-check azatadine pharmacophore against barretts_esophagus pathway. benzphetamine barretts_esophagus GAP_LOW 0.1526 0.0 pantoprazole Low-priority: Computational docking benzphetamine vs barretts_esophagus targets. Cross-check benzphetamine pharmacophore against barretts_esophagus pathway. dronedarone bone_cancer GAP_LOW 0.1526 0.0 ibandronate Low-priority: Computational docking dronedarone vs bone_cancer targets. Cross-check dronedarone pharmacophore against bone_cancer pathway. l-cystine bone_cancer GAP_LOW 0.1526 0.0 ibandronate Low-priority: Computational docking l-cystine vs bone_cancer targets. Cross-check l-cystine pharmacophore against bone_cancer pathway. l-cystine gestational_diabetes GAP_LOW 0.1526 0.0 tolazamide Low-priority: Computational docking l-cystine vs gestational_diabetes targets. Cross-check l-cystine pharmacophore against gestational_diabetes pathway. l-serine barretts_esophagus GAP_LOW 0.1526 0.0 pantoprazole Low-priority: Computational docking l-serine vs barretts_esophagus targets. Cross-check l-serine pharmacophore against barretts_esophagus pathway. orlistat bone_cancer GAP_LOW 0.1526 0.0 ibandronate Low-priority: Computational docking orlistat vs bone_cancer targets. Cross-check orlistat pharmacophore against bone_cancer pathway. orlistat gestational_diabetes GAP_LOW 0.1526 0.0 tolazamide Low-priority: Computational docking orlistat vs gestational_diabetes targets. Cross-check orlistat pharmacophore against gestational_diabetes pathway. salicylic_acid barretts_esophagus GAP_LOW 0.1526 0.0 pantoprazole Low-priority: Computational docking salicylic_acid vs barretts_esophagus targets. Cross-check salicylic_acid pharmacophore against barretts_esophagus pathway. sodium_lauryl_sulfate gestational_diabetes GAP_LOW 0.1526 0.0 tolazamide Low-priority: Computational docking sodium_lauryl_sulfate vs gestational_diabetes targets. Cross-check sodium_lauryl_sulfate pharmacophore against gestational_diabetes pathway. succinic_acid bone_cancer GAP_LOW 0.1526 0.0 ibandronate Low-priority: Computational docking succinic_acid vs bone_cancer targets. Cross-check succinic_acid pharmacophore against bone_cancer pathway. succinic_acid gestational_diabetes GAP_LOW 0.1526 0.0 tolazamide Low-priority: Computational docking succinic_acid vs gestational_diabetes targets. Cross-check succinic_acid pharmacophore against gestational_diabetes pathway. tolterodine barretts_esophagus GAP_LOW 0.1526 0.0 pantoprazole Low-priority: Computational docking tolterodine vs barretts_esophagus targets. Cross-check tolterodine pharmacophore against barretts_esophagus pathway. oxaprozin gout GAP_HIGH 0.1525 0.5333333333333333 phenindione High-priority: Binding assay oxaprozin→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.53) clozapine gilles_de_la_tourette_syndrome GAP_HIGH 0.1525 0.45454545454545453 loxapine High-priority: Binding assay clozapine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.45) phenoxybenzamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1525 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.42) conjugated_estrogens ocular_cancer GAP_HIGH 0.1525 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine bipolar_disorder GAP_HIGH 0.1525 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in bipolar_disorder cell model. Expected: similar to mebendazole (Jaccard=0.33) doxylamine rectum_cancer GAP_HIGH 0.1525 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in rectum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) flurazepam coronary_artery_disease GAP_HIGH 0.1525 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in coronary_artery_disease cell model. Expected: similar to midazolam (Jaccard=0.33) nilotinib obesity GAP_HIGH 0.1525 0.3333333333333333 captopril High-priority: Binding assay nilotinib→?; validate in obesity cell model. Expected: similar to captopril (Jaccard=0.33) dasatinib crohns_disease GAP_HIGH 0.1525 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.32) benzocaine metabolic_syndrome_x GAP_HIGH 0.1525 0.3 lidocaine High-priority: Binding assay benzocaine→?; validate in metabolic_syndrome_x cell model. Expected: similar to lidocaine (Jaccard=0.30) epinephrine systemic_scleroderma GAP_HIGH 0.1525 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in systemic_scleroderma cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) phenmetrazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1525 0.2857142857142857 ezetimibe High-priority: Binding assay phenmetrazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.29) choline pancreatitis GAP_HIGH 0.1525 0.25 vincristine High-priority: Binding assay choline→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.25) tolbutamide epilepsy_syndrome GAP_HIGH 0.1525 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in epilepsy_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.25) nimodipine melanoma GAP_HIGH 0.1525 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in melanoma cell model. Expected: similar to ifenprodil (Jaccard=0.23) glutethimide membranous_glomerulonephritis GAP_HIGH 0.1525 0.18181818181818182 chlorprothixene High-priority: Binding assay glutethimide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.18) tioguanine lymphatic_system_cancer GAP_HIGH 0.1525 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in lymphatic_system_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) cilazapril brain_cancer GAP_HIGH 0.1525 0.16666666666666666 doxorubicin High-priority: Binding assay cilazapril→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) cilazapril intracranial_aneurysm GAP_HIGH 0.1525 0.16666666666666666 doxorubicin High-priority: Binding assay cilazapril→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.17) emtricitabine head_and_neck_cancer GAP_HIGH 0.1525 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in head_and_neck_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) emtricitabine malignant_glioma GAP_HIGH 0.1525 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in malignant_glioma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) quazepam crohns_disease GAP_LOW 0.1525 0.13157894736842105 mazindol Low-priority: Computational docking quazepam vs crohns_disease targets. Cross-check quazepam pharmacophore against crohns_disease pathway. dronedarone meningioma GAP_LOW 0.1525 0.125 ifenprodil Low-priority: Computational docking dronedarone vs meningioma targets. Cross-check dronedarone pharmacophore against meningioma pathway. sodium_lauryl_sulfate testicular_cancer GAP_LOW 0.1525 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs testicular_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against testicular_cancer pathway. sodium_lauryl_sulfate vaginal_cancer GAP_LOW 0.1525 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs vaginal_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against vaginal_cancer pathway. sodium_lauryl_sulfate vulva_cancer GAP_LOW 0.1525 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs vulva_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against vulva_cancer pathway. clenbuterol dilated_cardiomyopathy GAP_LOW 0.1525 0.07692307692307693 trandolapril Low-priority: Computational docking clenbuterol vs dilated_cardiomyopathy targets. Cross-check clenbuterol pharmacophore against dilated_cardiomyopathy pathway. methohexital gestational_diabetes GAP_LOW 0.1525 0.043478260869565216 tolbutamide Low-priority: Computational docking methohexital vs gestational_diabetes targets. Cross-check methohexital pharmacophore against gestational_diabetes pathway. antazoline urinary_bladder_cancer GAP_HIGH 0.1524 0.38461538461538464 isopropamide High-priority: Binding assay antazoline→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.38) selegiline systemic_lupus_erythematosus GAP_HIGH 0.1524 0.375 phentermine High-priority: Binding assay selegiline→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.38) dobutamine endogenous_depression GAP_HIGH 0.1524 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in endogenous_depression cell model. Expected: similar to mebendazole (Jaccard=0.33) doxylamine liver_cancer GAP_HIGH 0.1524 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in liver_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) chlorpropamide psoriasis GAP_HIGH 0.1524 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in psoriasis cell model. Expected: similar to zafirlukast (Jaccard=0.32) practolol creutzfeldt-jakob_disease GAP_HIGH 0.1524 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-tyrosine (Jaccard=0.31) ethotoin focal_segmental_glomerulosclerosis GAP_HIGH 0.1524 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.30) alprazolam kidney_cancer GAP_HIGH 0.1524 0.2916666666666667 quinacrine High-priority: Binding assay alprazolam→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.29) pemetrexed multiple_sclerosis GAP_HIGH 0.1524 0.2857142857142857 gemcitabine High-priority: Binding assay pemetrexed→?; validate in multiple_sclerosis cell model. Expected: similar to gemcitabine (Jaccard=0.29) phenmetrazine type_1_diabetes_mellitus GAP_HIGH 0.1524 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.29) arformoterol lung_cancer GAP_HIGH 0.1524 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) arformoterol rectum_cancer GAP_HIGH 0.1524 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) quinacrine sarcoma GAP_HIGH 0.1524 0.2727272727272727 phenytoin High-priority: Binding assay quinacrine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.27) pentostatin breast_cancer GAP_HIGH 0.1524 0.21428571428571427 lamivudine High-priority: Binding assay pentostatin→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.21) pentobarbital prostate_cancer GAP_HIGH 0.1524 0.16666666666666666 azelastine High-priority: Binding assay pentobarbital→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.17) carboprost_tromethamine ankylosing_spondylitis GAP_HIGH 0.1524 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to estrone (Jaccard=0.15) aminophenazone sclerosing_cholangitis GAP_LOW 0.1524 0.14285714285714285 raloxifene Low-priority: Computational docking aminophenazone vs sclerosing_cholangitis targets. Cross-check aminophenazone pharmacophore against sclerosing_cholangitis pathway. propofol malignant_mesothelioma GAP_LOW 0.1524 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs malignant_mesothelioma targets. Cross-check propofol pharmacophore against malignant_mesothelioma pathway. sodium_lauryl_sulfate vascular_cancer GAP_LOW 0.1524 0.125 topotecan Low-priority: Computational docking sodium_lauryl_sulfate vs vascular_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against vascular_cancer pathway. alpha-linolenic_acid malignant_mesothelioma GAP_LOW 0.1524 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs malignant_mesothelioma targets. Cross-check alpha-linolenic_acid pharmacophore against malignant_mesothelioma pathway. bimatoprost hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking bimatoprost vs hypothyroidism targets. Cross-check bimatoprost pharmacophore against hypothyroidism pathway. chlorpropamide hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking chlorpropamide vs hypothyroidism targets. Cross-check chlorpropamide pharmacophore against hypothyroidism pathway. dapsone hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking dapsone vs hypothyroidism targets. Cross-check dapsone pharmacophore against hypothyroidism pathway. emtricitabine hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking emtricitabine vs hypothyroidism targets. Cross-check emtricitabine pharmacophore against hypothyroidism pathway. ephedrine hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking ephedrine vs hypothyroidism targets. Cross-check ephedrine pharmacophore against hypothyroidism pathway. flavin_adenine_dinucleotide hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking flavin_adenine_dinucleotide vs hypothyroidism targets. Cross-check flavin_adenine_dinucleotide pharmacophore against hypothyroidism pathway. latanoprost hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking latanoprost vs hypothyroidism targets. Cross-check latanoprost pharmacophore against hypothyroidism pathway. naloxone hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking naloxone vs hypothyroidism targets. Cross-check naloxone pharmacophore against hypothyroidism pathway. pomalidomide hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking pomalidomide vs hypothyroidism targets. Cross-check pomalidomide pharmacophore against hypothyroidism pathway. tolbutamide hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking tolbutamide vs hypothyroidism targets. Cross-check tolbutamide pharmacophore against hypothyroidism pathway. travoprost hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking travoprost vs hypothyroidism targets. Cross-check travoprost pharmacophore against hypothyroidism pathway. triamterene hypothyroidism GAP_LOW 0.1524 0.0 methimazole Low-priority: Computational docking triamterene vs hypothyroidism targets. Cross-check triamterene pharmacophore against hypothyroidism pathway. aminosalicylic_acid meningioma GAP_HIGH 0.1523 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.50) amoxapine skin_cancer GAP_HIGH 0.1523 0.46153846153846156 methdilazine High-priority: Binding assay amoxapine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.46) benzphetamine malignant_mesothelioma GAP_HIGH 0.1523 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.45) nitrazepam coronary_artery_disease GAP_HIGH 0.1523 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in coronary_artery_disease cell model. Expected: similar to midazolam (Jaccard=0.38) danazol gout GAP_HIGH 0.1523 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in gout cell model. Expected: similar to spironolactone (Jaccard=0.36) dobutamine migraine GAP_HIGH 0.1523 0.3333333333333333 betaxolol High-priority: Binding assay dobutamine→?; validate in migraine cell model. Expected: similar to betaxolol (Jaccard=0.33) dobutamine multiple_sclerosis GAP_HIGH 0.1523 0.3333333333333333 mebendazole High-priority: Binding assay dobutamine→?; validate in multiple_sclerosis cell model. Expected: similar to mebendazole (Jaccard=0.33) dobutamine osteoporosis GAP_HIGH 0.1523 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.33) dobutamine uterine_cancer GAP_HIGH 0.1523 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in uterine_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) arformoterol liver_cancer GAP_HIGH 0.1523 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline muscle_cancer GAP_HIGH 0.1523 0.25 diflorasone High-priority: Binding assay choline→?; validate in muscle_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) estropipate metabolic_syndrome_x GAP_HIGH 0.1523 0.2222222222222222 spironolactone High-priority: Binding assay estropipate→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.22) amlodipine malaria GAP_HIGH 0.1523 0.16666666666666666 primidone High-priority: Binding assay amlodipine→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.17) aprobarbital thyroid_cancer GAP_HIGH 0.1523 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) benzthiazide crohns_disease GAP_HIGH 0.1523 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.17) butethal thyroid_cancer GAP_HIGH 0.1523 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) nicardipine kidney_cancer GAP_HIGH 0.1523 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) pheniramine membranous_glomerulonephritis GAP_HIGH 0.1522 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clofedanol (Jaccard=0.53) clozapine pancreatitis GAP_HIGH 0.1522 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in pancreatitis cell model. Expected: similar to oxaprozin (Jaccard=0.50) mequitazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1522 0.5 cetirizine High-priority: Binding assay mequitazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.50) naproxen glaucoma GAP_HIGH 0.1522 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=0.44) menadione thyroid_cancer GAP_HIGH 0.1522 0.42857142857142855 lenalidomide High-priority: Binding assay menadione→?; validate in thyroid_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.43) mestranol hypertension GAP_HIGH 0.1522 0.4 estrone High-priority: Binding assay mestranol→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.40) orphenadrine muscle_cancer GAP_HIGH 0.1522 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) selegiline skin_cancer GAP_HIGH 0.1522 0.375 phentermine High-priority: Binding assay selegiline→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) danazol coronary_artery_disease GAP_HIGH 0.1522 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in coronary_artery_disease cell model. Expected: similar to spironolactone (Jaccard=0.36) cinchocaine obesity GAP_HIGH 0.1522 0.34782608695652173 chloroprocaine High-priority: Binding assay cinchocaine→?; validate in obesity cell model. Expected: similar to chloroprocaine (Jaccard=0.35) conjugated_estrogens peripheral_nervous_system_neoplasm GAP_HIGH 0.1522 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.33) doxylamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1522 0.3333333333333333 tamoxifen High-priority: Binding assay doxylamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.33) tamsulosin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1522 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to propafenone (Jaccard=0.33) epinephrine restless_legs_syndrome GAP_HIGH 0.1522 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in restless_legs_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) choline lung_cancer GAP_HIGH 0.1522 0.25 vincristine High-priority: Binding assay choline→?; validate in lung_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) choline rectum_cancer GAP_HIGH 0.1522 0.25 vincristine High-priority: Binding assay choline→?; validate in rectum_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) methylphenobarbital metabolic_syndrome_x GAP_HIGH 0.1522 0.20689655172413793 phenytoin High-priority: Binding assay methylphenobarbital→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenytoin (Jaccard=0.21) nicardipine nephrolithiasis GAP_HIGH 0.1522 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.17) carboprost_tromethamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1522 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to estrone (Jaccard=0.15) caffeine focal_segmental_glomerulosclerosis GAP_LOW 0.1522 0.125 amsacrine Low-priority: Computational docking caffeine vs focal_segmental_glomerulosclerosis targets. Cross-check caffeine pharmacophore against focal_segmental_glomerulosclerosis pathway. dronedarone crohns_disease GAP_LOW 0.1522 0.125 ifenprodil Low-priority: Computational docking dronedarone vs crohns_disease targets. Cross-check dronedarone pharmacophore against crohns_disease pathway. vandetanib thyroid_cancer GAP_HIGH 0.1521 0.6060606060606061 gefitinib High-priority: Binding assay vandetanib→?; validate in thyroid_cancer cell model. Expected: similar to gefitinib (Jaccard=0.61) orphenadrine lung_cancer GAP_HIGH 0.1521 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in lung_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) lacosamide atherosclerosis GAP_HIGH 0.1521 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in atherosclerosis cell model. Expected: similar to phentermine (Jaccard=0.38) danazol hematologic_cancer GAP_HIGH 0.1521 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in hematologic_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) drostanolone alopecia_areata GAP_HIGH 0.1521 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in alopecia_areata cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) cyproterone_acetate pancreatitis GAP_HIGH 0.1521 0.3333333333333333 fludrocortisone High-priority: Binding assay cyproterone_acetate→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.33) etonogestrel melanoma GAP_HIGH 0.1521 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in melanoma cell model. Expected: similar to spironolactone (Jaccard=0.33) practolol pharynx_cancer GAP_HIGH 0.1521 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in pharynx_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) benzocaine obesity GAP_HIGH 0.1521 0.3 lidocaine High-priority: Binding assay benzocaine→?; validate in obesity cell model. Expected: similar to lidocaine (Jaccard=0.30) epinephrine polycystic_ovary_syndrome GAP_HIGH 0.1521 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) arformoterol urinary_bladder_cancer GAP_HIGH 0.1521 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in urinary_bladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) clotiazepam narcolepsy GAP_HIGH 0.1521 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) carvedilol vitiligo GAP_HIGH 0.1521 0.25 docetaxel High-priority: Binding assay carvedilol→?; validate in vitiligo cell model. Expected: similar to docetaxel (Jaccard=0.25) nimodipine creutzfeldt-jakob_disease GAP_HIGH 0.1521 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ifenprodil (Jaccard=0.23) papaverine liver_cancer GAP_HIGH 0.1521 0.21739130434782608 naftifine High-priority: Binding assay papaverine→?; validate in liver_cancer cell model. Expected: similar to naftifine (Jaccard=0.22) ceruletide sarcoma GAP_HIGH 0.1521 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in sarcoma cell model. Expected: similar to goserelin (Jaccard=0.20) amiloride epilepsy_syndrome GAP_HIGH 0.1521 0.16666666666666666 triamterene High-priority: Binding assay amiloride→?; validate in epilepsy_syndrome cell model. Expected: similar to triamterene (Jaccard=0.17) gliquidone germ_cell_cancer GAP_HIGH 0.1521 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) dronedarone alzheimers_disease GAP_LOW 0.1521 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs alzheimers_disease targets. Cross-check dronedarone pharmacophore against alzheimers_disease pathway. dronedarone parkinsons_disease GAP_LOW 0.1521 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs parkinsons_disease targets. Cross-check dronedarone pharmacophore against parkinsons_disease pathway. quazepam prostate_cancer GAP_LOW 0.1521 0.13157894736842105 mazindol Low-priority: Computational docking quazepam vs prostate_cancer targets. Cross-check quazepam pharmacophore against prostate_cancer pathway. carboprost_tromethamine esophageal_cancer GAP_LOW 0.1521 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs esophageal_cancer targets. Cross-check carboprost_tromethamine pharmacophore against esophageal_cancer pathway. sodium_lauryl_sulfate focal_segmental_glomerulosclerosis GAP_LOW 0.1521 0.07692307692307693 trifluoperazine Low-priority: Computational docking sodium_lauryl_sulfate vs focal_segmental_glomerulosclerosis targets. Cross-check sodium_lauryl_sulfate pharmacophore against focal_segmental_glomerulosclerosis pathway. methdilazine azoospermia GAP_HIGH 0.152 0.52 chlorpromazine High-priority: Binding assay methdilazine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.52) naproxen intracranial_aneurysm GAP_HIGH 0.152 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.44) l-glutamine salivary_gland_cancer GAP_HIGH 0.152 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) diphemanil_methylsulfate pharynx_cancer GAP_HIGH 0.152 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.42) phenoxybenzamine stomach_cancer GAP_HIGH 0.152 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in stomach_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) anileridine prostate_cancer GAP_HIGH 0.152 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) ethylmorphine autistic_disorder GAP_HIGH 0.152 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in autistic_disorder cell model. Expected: similar to doxapram (Jaccard=0.33) selegiline celiac_disease GAP_HIGH 0.152 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) phenindione kidney_cancer GAP_HIGH 0.152 0.3181818181818182 quinacrine High-priority: Binding assay phenindione→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.32) tamsulosin crohns_disease GAP_HIGH 0.152 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.32) desogestrel hypertension GAP_HIGH 0.152 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in hypertension cell model. Expected: similar to progesterone (Jaccard=0.32) azacitidine breast_cancer GAP_HIGH 0.152 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) azacitidine colon_cancer GAP_HIGH 0.152 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) choline liver_cancer GAP_HIGH 0.152 0.25 vincristine High-priority: Binding assay choline→?; validate in liver_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) anisindione focal_segmental_glomerulosclerosis GAP_HIGH 0.152 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cyamemazine (Jaccard=0.20) metolazone brain_cancer GAP_HIGH 0.152 0.2 clodronate High-priority: Binding assay metolazone→?; validate in brain_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone intracranial_aneurysm GAP_HIGH 0.152 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in intracranial_aneurysm cell model. Expected: similar to etidronic_acid (Jaccard=0.20) nicardipine colon_cancer GAP_HIGH 0.152 0.2 pimozide High-priority: Binding assay nicardipine→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) nicardipine crohns_disease GAP_HIGH 0.152 0.18181818181818182 difenoxin High-priority: Binding assay nicardipine→?; validate in crohns_disease cell model. Expected: similar to difenoxin (Jaccard=0.18) pentobarbital hematologic_cancer GAP_HIGH 0.152 0.16666666666666666 azelastine High-priority: Binding assay pentobarbital→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.17) epoprostenol meningioma GAP_HIGH 0.152 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid pharynx_cancer GAP_LOW 0.152 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs pharynx_cancer targets. Cross-check aminolevulinic_acid pharmacophore against pharynx_cancer pathway. dronedarone amyotrophic_lateral_sclerosis GAP_LOW 0.152 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs amyotrophic_lateral_sclerosis targets. Cross-check dronedarone pharmacophore against amyotrophic_lateral_sclerosis pathway. dronedarone autistic_disorder GAP_LOW 0.152 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs autistic_disorder targets. Cross-check dronedarone pharmacophore against autistic_disorder pathway. dronedarone nicotine_dependence GAP_LOW 0.152 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs nicotine_dependence targets. Cross-check dronedarone pharmacophore against nicotine_dependence pathway. spirapril gilles_de_la_tourette_syndrome GAP_LOW 0.152 0.14285714285714285 alvimopan Low-priority: Computational docking spirapril vs gilles_de_la_tourette_syndrome targets. Cross-check spirapril pharmacophore against gilles_de_la_tourette_syndrome pathway. trifluridine leprosy GAP_LOW 0.152 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs leprosy targets. Cross-check trifluridine pharmacophore against leprosy pathway. dronedarone hepatitis_b GAP_LOW 0.152 0.07692307692307693 trandolapril Low-priority: Computational docking dronedarone vs hepatitis_b targets. Cross-check dronedarone pharmacophore against hepatitis_b pathway. sodium_lauryl_sulfate gilles_de_la_tourette_syndrome GAP_LOW 0.152 0.07692307692307693 trifluoperazine Low-priority: Computational docking sodium_lauryl_sulfate vs gilles_de_la_tourette_syndrome targets. Cross-check sodium_lauryl_sulfate pharmacophore against gilles_de_la_tourette_syndrome pathway. bethanidine barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking bethanidine vs barretts_esophagus targets. Cross-check bethanidine pharmacophore against barretts_esophagus pathway. epirubicin barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking epirubicin vs barretts_esophagus targets. Cross-check epirubicin pharmacophore against barretts_esophagus pathway. erlotinib barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking erlotinib vs barretts_esophagus targets. Cross-check erlotinib pharmacophore against barretts_esophagus pathway. mefenamic_acid barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking mefenamic_acid vs barretts_esophagus targets. Cross-check mefenamic_acid pharmacophore against barretts_esophagus pathway. mepenzolate barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking mepenzolate vs barretts_esophagus targets. Cross-check mepenzolate pharmacophore against barretts_esophagus pathway. phenprocoumon barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking phenprocoumon vs barretts_esophagus targets. Cross-check phenprocoumon pharmacophore against barretts_esophagus pathway. podofilox barretts_esophagus GAP_LOW 0.152 0.0 pantoprazole Low-priority: Computational docking podofilox vs barretts_esophagus targets. Cross-check podofilox pharmacophore against barretts_esophagus pathway. phenprocoumon thyroid_cancer GAP_HIGH 0.1519 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in thyroid_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) temazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1519 0.46153846153846156 trifluoperazine High-priority: Binding assay temazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.46) l-glutamine muscle_cancer GAP_HIGH 0.1519 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) phenoxybenzamine pancreatic_cancer GAP_HIGH 0.1519 0.4166666666666667 benzatropine High-priority: Binding assay phenoxybenzamine→?; validate in pancreatic_cancer cell model. Expected: similar to benzatropine (Jaccard=0.42) phenoxybenzamine ulcerative_colitis GAP_HIGH 0.1519 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in ulcerative_colitis cell model. Expected: similar to tamoxifen (Jaccard=0.42) ifenprodil sclerosing_cholangitis GAP_HIGH 0.1519 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in sclerosing_cholangitis cell model. Expected: similar to fentanyl (Jaccard=0.41) arbutamine rheumatoid_arthritis GAP_HIGH 0.1519 0.4 orciprenaline High-priority: Binding assay arbutamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to orciprenaline (Jaccard=0.40) mestranol sarcoma GAP_HIGH 0.1519 0.4 estrone High-priority: Binding assay mestranol→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.40) cyclopentolate malaria GAP_HIGH 0.1519 0.38461538461538464 methylphenobarbital High-priority: Binding assay cyclopentolate→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.38) nilotinib type_2_diabetes_mellitus GAP_HIGH 0.1519 0.3333333333333333 captopril High-priority: Binding assay nilotinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to captopril (Jaccard=0.33) salbutamol epilepsy_syndrome GAP_HIGH 0.1519 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.33) chlorpropamide skin_cancer GAP_HIGH 0.1519 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in skin_cancer cell model. Expected: similar to zafirlukast (Jaccard=0.32) practolol thyroid_cancer GAP_HIGH 0.1519 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in thyroid_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) epinephrine rheumatoid_arthritis GAP_HIGH 0.1519 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in rheumatoid_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) methyclothiazide membranous_glomerulonephritis GAP_HIGH 0.1519 0.23809523809523808 tamsulosin High-priority: Binding assay methyclothiazide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to tamsulosin (Jaccard=0.24) estropipate obesity GAP_HIGH 0.1519 0.2222222222222222 spironolactone High-priority: Binding assay estropipate→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.22) latanoprost ankylosing_spondylitis GAP_HIGH 0.1519 0.2 azatadine High-priority: Binding assay latanoprost→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.20) benzthiazide prostate_cancer GAP_HIGH 0.1519 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) methylphenobarbital chronic_kidney_failure GAP_HIGH 0.1519 0.16666666666666666 brompheniramine High-priority: Binding assay methylphenobarbital→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.17) nicardipine chronic_kidney_failure GAP_HIGH 0.1519 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.17) tofisopam malaria GAP_HIGH 0.1519 0.16129032258064516 modafinil High-priority: Binding assay tofisopam→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.16) aminophenazone ankylosing_spondylitis GAP_LOW 0.1519 0.14285714285714285 melatonin Low-priority: Computational docking aminophenazone vs ankylosing_spondylitis targets. Cross-check aminophenazone pharmacophore against ankylosing_spondylitis pathway. methyclothiazide leprosy GAP_LOW 0.1519 0.14285714285714285 sulfamethizole Low-priority: Computational docking methyclothiazide vs leprosy targets. Cross-check methyclothiazide pharmacophore against leprosy pathway. acetylcysteine leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking acetylcysteine vs leprosy targets. Cross-check acetylcysteine pharmacophore against leprosy pathway. aminolevulinic_acid leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking aminolevulinic_acid vs leprosy targets. Cross-check aminolevulinic_acid pharmacophore against leprosy pathway. caffeine leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking caffeine vs leprosy targets. Cross-check caffeine pharmacophore against leprosy pathway. dihomo-gamma-linolenic_acid leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs leprosy targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against leprosy pathway. lubiprostone leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking lubiprostone vs leprosy targets. Cross-check lubiprostone pharmacophore against leprosy pathway. penicillamine leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking penicillamine vs leprosy targets. Cross-check penicillamine pharmacophore against leprosy pathway. sodium_tetradecyl_sulfate leprosy GAP_LOW 0.1519 0.0 sulfapyridine Low-priority: Computational docking sodium_tetradecyl_sulfate vs leprosy targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against leprosy pathway. nortriptyline duodenum_cancer GAP_HIGH 0.1518 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in duodenum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) nortriptyline gallbladder_cancer GAP_HIGH 0.1518 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in gallbladder_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) ethinyl_estradiol germ_cell_cancer GAP_HIGH 0.1518 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in germ_cell_cancer cell model. Expected: similar to estrone (Jaccard=0.47) masoprocol celiac_disease GAP_HIGH 0.1518 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in celiac_disease cell model. Expected: similar to carbidopa (Jaccard=0.43) phenoxybenzamine uterine_cancer GAP_HIGH 0.1518 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) conjugated_estrogens asthma GAP_HIGH 0.1518 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in asthma cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens atopic_dermatitis GAP_HIGH 0.1518 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in atopic_dermatitis cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine osteoarthritis GAP_HIGH 0.1518 0.3333333333333333 penbutolol High-priority: Binding assay dobutamine→?; validate in osteoarthritis cell model. Expected: similar to penbutolol (Jaccard=0.33) ethylmorphine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1518 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to doxapram (Jaccard=0.33) etonogestrel sclerosing_cholangitis GAP_HIGH 0.1518 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in sclerosing_cholangitis cell model. Expected: similar to spironolactone (Jaccard=0.33) dasatinib gout GAP_HIGH 0.1518 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.32) practolol epilepsy_syndrome GAP_HIGH 0.1518 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in epilepsy_syndrome cell model. Expected: similar to l-tyrosine (Jaccard=0.31) choline urinary_bladder_cancer GAP_HIGH 0.1518 0.25 diflorasone High-priority: Binding assay choline→?; validate in urinary_bladder_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) nimodipine pharynx_cancer GAP_HIGH 0.1518 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) carvedilol coronary_artery_disease GAP_HIGH 0.1518 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.22) lidocaine leprosy GAP_HIGH 0.1518 0.21428571428571427 phenmetrazine High-priority: Binding assay lidocaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.21) carprofen prostate_cancer GAP_HIGH 0.1518 0.21212121212121213 fenoprofen High-priority: Binding assay carprofen→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) trimethoprim autistic_disorder GAP_HIGH 0.1518 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) trimethoprim nicotine_dependence GAP_HIGH 0.1518 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.18) heptabarbital sarcoma GAP_HIGH 0.1518 0.1724137931034483 phenytoin High-priority: Binding assay heptabarbital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.17) epoprostenol crohns_disease GAP_HIGH 0.1518 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.15) dronedarone attention_deficit_hyperactivity_disorder GAP_LOW 0.1518 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs attention_deficit_hyperactivity_disorder targets. Cross-check dronedarone pharmacophore against attention_deficit_hyperactivity_disorder pathway. dronedarone idiopathic_pulmonary_fibrosis GAP_LOW 0.1518 0.125 ifenprodil Low-priority: Computational docking dronedarone vs idiopathic_pulmonary_fibrosis targets. Cross-check dronedarone pharmacophore against idiopathic_pulmonary_fibrosis pathway. methacholine epilepsy_syndrome GAP_LOW 0.1518 0.11764705882352941 bromfenac Low-priority: Computational docking methacholine vs epilepsy_syndrome targets. Cross-check methacholine pharmacophore against epilepsy_syndrome pathway. caffeine larynx_cancer GAP_LOW 0.1518 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs larynx_cancer targets. Cross-check caffeine pharmacophore against larynx_cancer pathway. alpha-linolenic_acid pancreatic_cancer GAP_LOW 0.1518 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs pancreatic_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against pancreatic_cancer pathway. alpha-linolenic_acid meningioma GAP_LOW 0.1518 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs meningioma targets. Cross-check alpha-linolenic_acid pharmacophore against meningioma pathway. mequitazine hematologic_cancer GAP_HIGH 0.1517 0.5 nefazodone High-priority: Binding assay mequitazine→?; validate in hematologic_cancer cell model. Expected: similar to nefazodone (Jaccard=0.50) naproxen rheumatoid_arthritis GAP_HIGH 0.1517 0.5 suprofen High-priority: Binding assay naproxen→?; validate in rheumatoid_arthritis cell model. Expected: similar to suprofen (Jaccard=0.50) l-glutamine alzheimers_disease GAP_HIGH 0.1517 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.44) phenoxybenzamine sarcoma GAP_HIGH 0.1517 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.42) orphenadrine urinary_bladder_cancer GAP_HIGH 0.1517 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) diclofenac focal_segmental_glomerulosclerosis GAP_HIGH 0.1517 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) anileridine gout GAP_HIGH 0.1517 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.36) anileridine primary_biliary_cirrhosis GAP_HIGH 0.1517 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) acenocoumarol crohns_disease GAP_HIGH 0.1517 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in crohns_disease cell model. Expected: similar to fosphenytoin (Jaccard=0.35) conjugated_estrogens allergic_rhinitis GAP_HIGH 0.1517 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in allergic_rhinitis cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens hypertension GAP_HIGH 0.1517 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine testicular_cancer GAP_HIGH 0.1517 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in testicular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) dobutamine vaginal_cancer GAP_HIGH 0.1517 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in vaginal_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) dobutamine vulva_cancer GAP_HIGH 0.1517 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in vulva_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) antipyrine kidney_cancer GAP_HIGH 0.1517 0.2962962962962963 quinacrine High-priority: Binding assay antipyrine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.30) adinazolam duodenum_cancer GAP_HIGH 0.1517 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) adinazolam gallbladder_cancer GAP_HIGH 0.1517 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) azacitidine ovarian_cancer GAP_HIGH 0.1517 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) proparacaine hematologic_cancer GAP_HIGH 0.1517 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in hematologic_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine narcolepsy GAP_HIGH 0.1517 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in narcolepsy cell model. Expected: similar to phenmetrazine (Jaccard=0.29) clotiazepam membranous_glomerulonephritis GAP_HIGH 0.1517 0.25 chlorprothixene High-priority: Binding assay clotiazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.25) sulpiride hematologic_cancer GAP_HIGH 0.1517 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.21) sulpiride narcolepsy GAP_HIGH 0.1517 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.21) tofisopam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1517 0.21052631578947367 ifenprodil High-priority: Binding assay tofisopam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.21) captopril head_and_neck_cancer GAP_HIGH 0.1517 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) captopril malignant_glioma GAP_HIGH 0.1517 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.20) nicardipine ovarian_cancer GAP_HIGH 0.1517 0.2 pimozide High-priority: Binding assay nicardipine→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) telbivudine psoriatic_arthritis GAP_HIGH 0.1517 0.1875 ribavirin High-priority: Binding assay telbivudine→?; validate in psoriatic_arthritis cell model. Expected: similar to ribavirin (Jaccard=0.19) benzthiazide gout GAP_HIGH 0.1517 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide mediastinal_cancer GAP_HIGH 0.1517 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide primary_biliary_cirrhosis GAP_HIGH 0.1517 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.17) losartan esophageal_cancer GAP_HIGH 0.1517 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) primidone colon_cancer GAP_HIGH 0.1517 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in colon_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) carboprost_tromethamine muscle_cancer GAP_HIGH 0.1517 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminophenazone chronic_obstructive_pulmonary_disease GAP_LOW 0.1517 0.14285714285714285 medroxyprogesterone_acetate Low-priority: Computational docking aminophenazone vs chronic_obstructive_pulmonary_disease targets. Cross-check aminophenazone pharmacophore against chronic_obstructive_pulmonary_disease pathway. talbutal coronary_artery_disease GAP_LOW 0.1517 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs coronary_artery_disease targets. Cross-check talbutal pharmacophore against coronary_artery_disease pathway. trimethoprim bone_cancer GAP_LOW 0.1517 0.07142857142857142 tetrahydrofolic_acid Low-priority: Computational docking trimethoprim vs bone_cancer targets. Cross-check trimethoprim pharmacophore against bone_cancer pathway. diphemanil_methylsulfate primary_biliary_cirrhosis GAP_HIGH 0.1516 0.4117647058823529 toremifene High-priority: Binding assay diphemanil_methylsulfate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.41) thalidomide ulcerative_colitis GAP_HIGH 0.1516 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in ulcerative_colitis cell model. Expected: similar to indomethacin (Jaccard=0.38) cinchocaine polycystic_ovary_syndrome GAP_HIGH 0.1516 0.34782608695652173 chloroprocaine High-priority: Binding assay cinchocaine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.35) cyproterone_acetate amyotrophic_lateral_sclerosis GAP_HIGH 0.1516 0.3333333333333333 fludrocortisone High-priority: Binding assay cyproterone_acetate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.33) dobutamine vascular_cancer GAP_HIGH 0.1516 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in vascular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.33) salbutamol muscle_cancer GAP_HIGH 0.1516 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) difenoxin sclerosing_cholangitis GAP_HIGH 0.1516 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) desogestrel sarcoma GAP_HIGH 0.1516 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in sarcoma cell model. Expected: similar to progesterone (Jaccard=0.32) epinephrine psoriatic_arthritis GAP_HIGH 0.1516 0.3 pseudoephedrine High-priority: Binding assay epinephrine→?; validate in psoriatic_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.30) arformoterol stomach_cancer GAP_HIGH 0.1516 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) chlorthalidone atherosclerosis GAP_HIGH 0.1516 0.2413793103448276 flurbiprofen High-priority: Binding assay chlorthalidone→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.24) benazepril breast_cancer GAP_HIGH 0.1516 0.2 topotecan High-priority: Binding assay benazepril→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) trimethoprim attention_deficit_hyperactivity_disorder GAP_HIGH 0.1516 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) benzthiazide thymus_cancer GAP_HIGH 0.1516 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan melanoma GAP_HIGH 0.1516 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in melanoma cell model. Expected: similar to vinblastine (Jaccard=0.17) carboprost_tromethamine lung_cancer GAP_HIGH 0.1516 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in lung_cancer cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine rectum_cancer GAP_HIGH 0.1516 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in rectum_cancer cell model. Expected: similar to estrone (Jaccard=0.15) quinapril nephrolithiasis GAP_HIGH 0.1516 0.15384615384615385 doxorubicin High-priority: Binding assay quinapril→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.15) calcium_acetate autistic_disorder GAP_LOW 0.1516 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs autistic_disorder targets. Cross-check calcium_acetate pharmacophore against autistic_disorder pathway. calcium_acetate nicotine_dependence GAP_LOW 0.1516 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs nicotine_dependence targets. Cross-check calcium_acetate pharmacophore against nicotine_dependence pathway. dronedarone mediastinal_cancer GAP_LOW 0.1516 0.125 ifenprodil Low-priority: Computational docking dronedarone vs mediastinal_cancer targets. Cross-check dronedarone pharmacophore against mediastinal_cancer pathway. amiloride atherosclerosis GAP_LOW 0.1516 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking amiloride vs atherosclerosis targets. Cross-check amiloride pharmacophore against atherosclerosis pathway. irbesartan atherosclerosis GAP_LOW 0.1516 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs atherosclerosis targets. Cross-check irbesartan pharmacophore against atherosclerosis pathway. sodium_lauryl_sulfate epilepsy_syndrome GAP_LOW 0.1516 0.1111111111111111 olanzapine Low-priority: Computational docking sodium_lauryl_sulfate vs epilepsy_syndrome targets. Cross-check sodium_lauryl_sulfate pharmacophore against epilepsy_syndrome pathway. alpha-linolenic_acid multiple_sclerosis GAP_LOW 0.1516 0.1 gliclazide Low-priority: Computational docking alpha-linolenic_acid vs multiple_sclerosis targets. Cross-check alpha-linolenic_acid pharmacophore against multiple_sclerosis pathway. aminoglutethimide alcohol_dependence GAP_LOW 0.1516 0.06976744186046512 mazindol Low-priority: Computational docking aminoglutethimide vs alcohol_dependence targets. Cross-check aminoglutethimide pharmacophore against alcohol_dependence pathway. l-glutamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1515 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.44) mestranol skin_cancer GAP_HIGH 0.1515 0.4 estrone High-priority: Binding assay mestranol→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.40) lidocaine prostate_cancer GAP_HIGH 0.1515 0.375 chloroprocaine High-priority: Binding assay lidocaine→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.38) thalidomide osteoporosis GAP_HIGH 0.1515 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in osteoporosis cell model. Expected: similar to indomethacin (Jaccard=0.38) levonorgestrel migraine GAP_HIGH 0.1515 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in migraine cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine coronary_artery_disease GAP_HIGH 0.1515 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in coronary_artery_disease cell model. Expected: similar to cyclopentolate (Jaccard=0.36) arbutamine celiac_disease GAP_HIGH 0.1515 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in celiac_disease cell model. Expected: similar to droxidopa (Jaccard=0.35) conjugated_estrogens multiple_sclerosis GAP_HIGH 0.1515 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in multiple_sclerosis cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens osteoporosis GAP_HIGH 0.1515 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in osteoporosis cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens psoriasis GAP_HIGH 0.1515 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.33) doxylamine uterine_cancer GAP_HIGH 0.1515 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in uterine_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) ethylmorphine asthma GAP_HIGH 0.1515 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in asthma cell model. Expected: similar to doxapram (Jaccard=0.33) ethylmorphine atopic_dermatitis GAP_HIGH 0.1515 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in atopic_dermatitis cell model. Expected: similar to doxapram (Jaccard=0.33) ethylmorphine breast_cancer GAP_HIGH 0.1515 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in breast_cancer cell model. Expected: similar to doxapram (Jaccard=0.33) ethylmorphine colon_cancer GAP_HIGH 0.1515 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in colon_cancer cell model. Expected: similar to doxapram (Jaccard=0.33) ethylmorphine schizophrenia GAP_HIGH 0.1515 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in schizophrenia cell model. Expected: similar to doxapram (Jaccard=0.33) phenindamine gilles_de_la_tourette_syndrome GAP_HIGH 0.1515 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to reboxetine (Jaccard=0.33) salbutamol lung_cancer GAP_HIGH 0.1515 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol rectum_cancer GAP_HIGH 0.1515 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) tamsulosin alzheimers_disease GAP_HIGH 0.1515 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in alzheimers_disease cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin parkinsons_disease GAP_HIGH 0.1515 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in parkinsons_disease cell model. Expected: similar to propafenone (Jaccard=0.33) topotecan celiac_disease GAP_HIGH 0.1515 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) cladribine osteoporosis GAP_HIGH 0.1515 0.32 glucosamine High-priority: Binding assay cladribine→?; validate in osteoporosis cell model. Expected: similar to glucosamine (Jaccard=0.32) tamsulosin prostate_cancer GAP_HIGH 0.1515 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in prostate_cancer cell model. Expected: similar to propranolol (Jaccard=0.32) terbutaline type_1_diabetes_mellitus GAP_HIGH 0.1515 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.31) benzocaine polycystic_ovary_syndrome GAP_HIGH 0.1515 0.3 lidocaine High-priority: Binding assay benzocaine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lidocaine (Jaccard=0.30) benzocaine type_2_diabetes_mellitus GAP_HIGH 0.1515 0.3 lidocaine High-priority: Binding assay benzocaine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to lidocaine (Jaccard=0.30) arformoterol pancreatic_cancer GAP_HIGH 0.1515 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.27) nimodipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1515 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine thyroid_cancer GAP_HIGH 0.1515 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in thyroid_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) estropipate esophageal_cancer GAP_HIGH 0.1515 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.17) irbesartan duodenum_cancer GAP_HIGH 0.1515 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in duodenum_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan gallbladder_cancer GAP_HIGH 0.1515 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in gallbladder_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) nilvadipine kidney_cancer GAP_HIGH 0.1515 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) primidone psoriasis GAP_HIGH 0.1515 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in psoriasis cell model. Expected: similar to phenytoin (Jaccard=0.17) carboprost_tromethamine liver_cancer GAP_HIGH 0.1515 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in liver_cancer cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone penile_cancer GAP_HIGH 0.1515 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) methylphenobarbital focal_segmental_glomerulosclerosis GAP_HIGH 0.1515 0.15384615384615385 naftifine High-priority: Binding assay methylphenobarbital→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.15) dronedarone asthma GAP_LOW 0.1515 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs asthma targets. Cross-check dronedarone pharmacophore against asthma pathway. dronedarone conduct_disorder GAP_LOW 0.1515 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs conduct_disorder targets. Cross-check dronedarone pharmacophore against conduct_disorder pathway. dronedarone panic_disorder GAP_LOW 0.1515 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs panic_disorder targets. Cross-check dronedarone pharmacophore against panic_disorder pathway. dronedarone schizophrenia GAP_LOW 0.1515 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs schizophrenia targets. Cross-check dronedarone pharmacophore against schizophrenia pathway. dronedarone thymus_cancer GAP_LOW 0.1515 0.125 ifenprodil Low-priority: Computational docking dronedarone vs thymus_cancer targets. Cross-check dronedarone pharmacophore against thymus_cancer pathway. nitisinone atherosclerosis GAP_LOW 0.1515 0.07142857142857142 pargyline Low-priority: Computational docking nitisinone vs atherosclerosis targets. Cross-check nitisinone pharmacophore against atherosclerosis pathway. fluoxymesterone barretts_esophagus GAP_LOW 0.1515 0.058823529411764705 pantoprazole Low-priority: Computational docking fluoxymesterone vs barretts_esophagus targets. Cross-check fluoxymesterone pharmacophore against barretts_esophagus pathway. talbutal gestational_diabetes GAP_LOW 0.1515 0.043478260869565216 bezafibrate Low-priority: Computational docking talbutal vs gestational_diabetes targets. Cross-check talbutal pharmacophore against gestational_diabetes pathway. succinic_acid atherosclerosis GAP_LOW 0.1515 0.04 olsalazine Low-priority: Computational docking succinic_acid vs atherosclerosis targets. Cross-check succinic_acid pharmacophore against atherosclerosis pathway. acetylsalicylic_acid barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking acetylsalicylic_acid vs barretts_esophagus targets. Cross-check acetylsalicylic_acid pharmacophore against barretts_esophagus pathway. bromodiphenhydramine barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking bromodiphenhydramine vs barretts_esophagus targets. Cross-check bromodiphenhydramine pharmacophore against barretts_esophagus pathway. clonidine barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking clonidine vs barretts_esophagus targets. Cross-check clonidine pharmacophore against barretts_esophagus pathway. deferasirox barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking deferasirox vs barretts_esophagus targets. Cross-check deferasirox pharmacophore against barretts_esophagus pathway. menadione barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking menadione vs barretts_esophagus targets. Cross-check menadione pharmacophore against barretts_esophagus pathway. mitiglinide barretts_esophagus GAP_LOW 0.1515 0.0 pantoprazole Low-priority: Computational docking mitiglinide vs barretts_esophagus targets. Cross-check mitiglinide pharmacophore against barretts_esophagus pathway. betamethasone asthma GAP_HIGH 0.1514 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in asthma cell model. Expected: similar to amcinonide (Jaccard=0.59) aminosalicylic_acid mediastinal_cancer GAP_HIGH 0.1514 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) phenprocoumon muscle_cancer GAP_HIGH 0.1514 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in muscle_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) bethanidine pharynx_cancer GAP_HIGH 0.1514 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in pharynx_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) cyclizine celiac_disease GAP_HIGH 0.1514 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.42) ifenprodil ankylosing_spondylitis GAP_HIGH 0.1514 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in ankylosing_spondylitis cell model. Expected: similar to fentanyl (Jaccard=0.41) clonazepam kidney_cancer GAP_HIGH 0.1514 0.38461538461538464 quinacrine High-priority: Binding assay clonazepam→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.38) levonorgestrel sarcoma GAP_HIGH 0.1514 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in sarcoma cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens migraine GAP_HIGH 0.1514 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in migraine cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens sarcoma GAP_HIGH 0.1514 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.33) ethylmorphine allergic_rhinitis GAP_HIGH 0.1514 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in allergic_rhinitis cell model. Expected: similar to doxapram (Jaccard=0.33) nilotinib psoriatic_arthritis GAP_HIGH 0.1514 0.3333333333333333 sorafenib High-priority: Binding assay nilotinib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.33) tamsulosin amyotrophic_lateral_sclerosis GAP_HIGH 0.1514 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin autistic_disorder GAP_HIGH 0.1514 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in autistic_disorder cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin nicotine_dependence GAP_HIGH 0.1514 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in nicotine_dependence cell model. Expected: similar to propafenone (Jaccard=0.33) cinchocaine gout GAP_HIGH 0.1514 0.32142857142857145 procaine High-priority: Binding assay cinchocaine→?; validate in gout cell model. Expected: similar to procaine (Jaccard=0.32) practolol muscle_cancer GAP_HIGH 0.1514 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in muscle_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) arformoterol ulcerative_colitis GAP_HIGH 0.1514 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline asthma GAP_HIGH 0.1514 0.25 diflorasone High-priority: Binding assay choline→?; validate in asthma cell model. Expected: similar to diflorasone (Jaccard=0.25) choline breast_cancer GAP_HIGH 0.1514 0.25 diflorasone High-priority: Binding assay choline→?; validate in breast_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) nimodipine epilepsy_syndrome GAP_HIGH 0.1514 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in epilepsy_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.23) esmolol prostate_cancer GAP_HIGH 0.1514 0.21212121212121213 fenoprofen High-priority: Binding assay esmolol→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) colchicine larynx_cancer GAP_HIGH 0.1514 0.2 vincristine High-priority: Binding assay colchicine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) l-arginine kidney_cancer GAP_HIGH 0.1514 0.2 methotrexate High-priority: Binding assay l-arginine→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.20) aprobarbital urinary_bladder_cancer GAP_HIGH 0.1514 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) benzthiazide hematologic_cancer GAP_HIGH 0.1514 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in hematologic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) butethal urinary_bladder_cancer GAP_HIGH 0.1514 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) cilazapril nephrolithiasis GAP_HIGH 0.1514 0.16666666666666666 doxorubicin High-priority: Binding assay cilazapril→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.17) dihomo-gamma-linolenic_acid coronary_artery_disease GAP_HIGH 0.1514 0.16666666666666666 acetyldigitoxin High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in coronary_artery_disease cell model. Expected: similar to acetyldigitoxin (Jaccard=0.17) nilvadipine nephrolithiasis GAP_HIGH 0.1514 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.17) norepinephrine bone_cancer GAP_HIGH 0.1514 0.16666666666666666 histamine_phosphate High-priority: Binding assay norepinephrine→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) primidone ovarian_cancer GAP_HIGH 0.1514 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in ovarian_cancer cell model. Expected: similar to phenytoin (Jaccard=0.17) epoprostenol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1514 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid salivary_gland_cancer GAP_LOW 0.1514 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs salivary_gland_cancer targets. Cross-check aminolevulinic_acid pharmacophore against salivary_gland_cancer pathway. dronedarone allergic_rhinitis GAP_LOW 0.1514 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs allergic_rhinitis targets. Cross-check dronedarone pharmacophore against allergic_rhinitis pathway. dronedarone atopic_dermatitis GAP_LOW 0.1514 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs atopic_dermatitis targets. Cross-check dronedarone pharmacophore against atopic_dermatitis pathway. dronedarone breast_cancer GAP_LOW 0.1514 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs breast_cancer targets. Cross-check dronedarone pharmacophore against breast_cancer pathway. irbesartan kidney_cancer GAP_LOW 0.1514 0.14285714285714285 docetaxel Low-priority: Computational docking irbesartan vs kidney_cancer targets. Cross-check irbesartan pharmacophore against kidney_cancer pathway. carboprost_tromethamine type_1_diabetes_mellitus GAP_LOW 0.1514 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs type_1_diabetes_mellitus targets. Cross-check carboprost_tromethamine pharmacophore against type_1_diabetes_mellitus pathway. sodium_tetradecyl_sulfate lung_cancer GAP_LOW 0.1514 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs lung_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against lung_cancer pathway. sodium_tetradecyl_sulfate rectum_cancer GAP_LOW 0.1514 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs rectum_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against rectum_cancer pathway. sodium_lauryl_sulfate chronic_kidney_failure GAP_LOW 0.1514 0.08333333333333333 amitriptyline Low-priority: Computational docking sodium_lauryl_sulfate vs chronic_kidney_failure targets. Cross-check sodium_lauryl_sulfate pharmacophore against chronic_kidney_failure pathway. amobarbital gestational_diabetes GAP_LOW 0.1514 0.03225806451612903 bezafibrate Low-priority: Computational docking amobarbital vs gestational_diabetes targets. Cross-check amobarbital pharmacophore against gestational_diabetes pathway. betamethasone allergic_rhinitis GAP_HIGH 0.1513 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in allergic_rhinitis cell model. Expected: similar to amcinonide (Jaccard=0.59) betamethasone atopic_dermatitis GAP_HIGH 0.1513 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in atopic_dermatitis cell model. Expected: similar to amcinonide (Jaccard=0.59) betamethasone breast_cancer GAP_HIGH 0.1513 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in breast_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) betamethasone colon_cancer GAP_HIGH 0.1513 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in colon_cancer cell model. Expected: similar to amcinonide (Jaccard=0.59) aminosalicylic_acid thymus_cancer GAP_HIGH 0.1513 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) diphemanil_methylsulfate salivary_gland_cancer GAP_HIGH 0.1513 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.42) phenoxybenzamine skin_cancer GAP_HIGH 0.1513 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in skin_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) danazol melanoma GAP_HIGH 0.1513 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in melanoma cell model. Expected: similar to spironolactone (Jaccard=0.36) cyproheptadine metabolic_syndrome_x GAP_HIGH 0.1513 0.3333333333333333 azatadine High-priority: Binding assay cyproheptadine→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.33) dobutamine uterine_fibroid GAP_HIGH 0.1513 0.3333333333333333 metipranolol High-priority: Binding assay dobutamine→?; validate in uterine_fibroid cell model. Expected: similar to metipranolol (Jaccard=0.33) flurazepam sclerosing_cholangitis GAP_HIGH 0.1513 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.33) salbutamol liver_cancer GAP_HIGH 0.1513 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) trilostane sclerosing_cholangitis GAP_HIGH 0.1513 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in sclerosing_cholangitis cell model. Expected: similar to prednisone (Jaccard=0.33) difenoxin pharynx_cancer GAP_HIGH 0.1513 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) desogestrel metabolic_syndrome_x GAP_HIGH 0.1513 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in metabolic_syndrome_x cell model. Expected: similar to progesterone (Jaccard=0.32) practolol lung_cancer GAP_HIGH 0.1513 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in lung_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol rectum_cancer GAP_HIGH 0.1513 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in rectum_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) mepenzolate prostate_cancer GAP_HIGH 0.1513 0.3 isopropamide High-priority: Binding assay mepenzolate→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.30) arformoterol osteoporosis GAP_HIGH 0.1513 0.2727272727272727 etoricoxib High-priority: Binding assay arformoterol→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.27) choline allergic_rhinitis GAP_HIGH 0.1513 0.25 diflorasone High-priority: Binding assay choline→?; validate in allergic_rhinitis cell model. Expected: similar to diflorasone (Jaccard=0.25) choline atopic_dermatitis GAP_HIGH 0.1513 0.25 diflorasone High-priority: Binding assay choline→?; validate in atopic_dermatitis cell model. Expected: similar to diflorasone (Jaccard=0.25) choline colon_cancer GAP_HIGH 0.1513 0.25 diflorasone High-priority: Binding assay choline→?; validate in colon_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline stomach_cancer GAP_HIGH 0.1513 0.25 vincristine High-priority: Binding assay choline→?; validate in stomach_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) tolbutamide schizophrenia GAP_HIGH 0.1513 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in schizophrenia cell model. Expected: similar to telmisartan (Jaccard=0.25) clonazepam leprosy GAP_HIGH 0.1513 0.20833333333333334 phensuximide High-priority: Binding assay clonazepam→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.21) isradipine meningioma GAP_HIGH 0.1513 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in meningioma cell model. Expected: similar to desoximetasone (Jaccard=0.20) nisoldipine gilles_de_la_tourette_syndrome GAP_HIGH 0.1513 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.20) trimethoprim conduct_disorder GAP_HIGH 0.1513 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) pyrimethamine meningioma GAP_HIGH 0.1513 0.16666666666666666 pemetrexed High-priority: Binding assay pyrimethamine→?; validate in meningioma cell model. Expected: similar to pemetrexed (Jaccard=0.17) carboprost_tromethamine urinary_bladder_cancer GAP_HIGH 0.1513 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid muscle_cancer GAP_LOW 0.1513 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs muscle_cancer targets. Cross-check aminolevulinic_acid pharmacophore against muscle_cancer pathway. dronedarone bipolar_disorder GAP_LOW 0.1513 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs bipolar_disorder targets. Cross-check dronedarone pharmacophore against bipolar_disorder pathway. dronedarone hematologic_cancer GAP_LOW 0.1513 0.125 ifenprodil Low-priority: Computational docking dronedarone vs hematologic_cancer targets. Cross-check dronedarone pharmacophore against hematologic_cancer pathway. dronedarone narcolepsy GAP_LOW 0.1513 0.125 ifenprodil Low-priority: Computational docking dronedarone vs narcolepsy targets. Cross-check dronedarone pharmacophore against narcolepsy pathway. aciclovir gestational_diabetes GAP_LOW 0.1513 0.1111111111111111 glimepiride Low-priority: Computational docking aciclovir vs gestational_diabetes targets. Cross-check aciclovir pharmacophore against gestational_diabetes pathway. ethinyl_estradiol penile_cancer GAP_HIGH 0.1512 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.47) phenprocoumon lung_cancer GAP_HIGH 0.1512 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in lung_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) phenoxybenzamine vulva_cancer GAP_HIGH 0.1512 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) orphenadrine stomach_cancer GAP_HIGH 0.1512 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in stomach_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) thalidomide systemic_lupus_erythematosus GAP_HIGH 0.1512 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to indomethacin (Jaccard=0.38) conjugated_estrogens systemic_lupus_erythematosus GAP_HIGH 0.1512 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estrone (Jaccard=0.33) ethylmorphine ovarian_cancer GAP_HIGH 0.1512 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in ovarian_cancer cell model. Expected: similar to doxapram (Jaccard=0.33) ethylmorphine psoriasis GAP_HIGH 0.1512 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in psoriasis cell model. Expected: similar to doxapram (Jaccard=0.33) etonogestrel thyroid_cancer GAP_HIGH 0.1512 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in thyroid_cancer cell model. Expected: similar to spironolactone (Jaccard=0.33) salbutamol autistic_disorder GAP_HIGH 0.1512 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol nicotine_dependence GAP_HIGH 0.1512 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.33) tamsulosin attention_deficit_hyperactivity_disorder GAP_HIGH 0.1512 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to propafenone (Jaccard=0.33) difenoxin ankylosing_spondylitis GAP_HIGH 0.1512 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) desogestrel skin_cancer GAP_HIGH 0.1512 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in skin_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) choline pancreatic_cancer GAP_HIGH 0.1512 0.25 diflorasone High-priority: Binding assay choline→?; validate in pancreatic_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline ulcerative_colitis GAP_HIGH 0.1512 0.25 diflorasone High-priority: Binding assay choline→?; validate in ulcerative_colitis cell model. Expected: similar to diflorasone (Jaccard=0.25) nimodipine pancreatitis GAP_HIGH 0.1512 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in pancreatitis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine salivary_gland_cancer GAP_HIGH 0.1512 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) losartan narcolepsy GAP_HIGH 0.1512 0.2 l-arginine High-priority: Binding assay losartan→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.20) methylphenobarbital uterine_cancer GAP_HIGH 0.1512 0.2 chlorcyclizine High-priority: Binding assay methylphenobarbital→?; validate in uterine_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) nilvadipine crohns_disease GAP_HIGH 0.1512 0.18181818181818182 difenoxin High-priority: Binding assay nilvadipine→?; validate in crohns_disease cell model. Expected: similar to difenoxin (Jaccard=0.18) irbesartan sclerosing_cholangitis GAP_HIGH 0.1512 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in sclerosing_cholangitis cell model. Expected: similar to vinblastine (Jaccard=0.17) nilvadipine chronic_kidney_failure GAP_HIGH 0.1512 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.17) aminophenazone rectum_cancer GAP_LOW 0.1512 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs rectum_cancer targets. Cross-check aminophenazone pharmacophore against rectum_cancer pathway. dronedarone endogenous_depression GAP_LOW 0.1512 0.14285714285714285 ezetimibe Low-priority: Computational docking dronedarone vs endogenous_depression targets. Cross-check dronedarone pharmacophore against endogenous_depression pathway. vitamin_c crohns_disease GAP_LOW 0.1512 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking vitamin_c vs crohns_disease targets. Cross-check vitamin_c pharmacophore against crohns_disease pathway. sodium_tetradecyl_sulfate liver_cancer GAP_LOW 0.1512 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs liver_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against liver_cancer pathway. chlorpromazine systemic_lupus_erythematosus GAP_HIGH 0.1511 0.6 chlorprothixene High-priority: Binding assay chlorpromazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.60) betamethasone psoriasis GAP_HIGH 0.1511 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in psoriasis cell model. Expected: similar to amcinonide (Jaccard=0.59) betamethasone ulcerative_colitis GAP_HIGH 0.1511 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in ulcerative_colitis cell model. Expected: similar to amcinonide (Jaccard=0.59) clomipramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1511 0.5769230769230769 loxapine High-priority: Binding assay clomipramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.58) naproxen head_and_neck_cancer GAP_HIGH 0.1511 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naproxen malignant_glioma GAP_HIGH 0.1511 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.44) medrysone esophageal_cancer GAP_HIGH 0.1511 0.42857142857142855 hydrocortisone High-priority: Binding assay medrysone→?; validate in esophageal_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.43) diphemanil_methylsulfate ocular_cancer GAP_HIGH 0.1511 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.42) orphenadrine pancreatic_cancer GAP_HIGH 0.1511 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in pancreatic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) nitrazepam sclerosing_cholangitis GAP_HIGH 0.1511 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.38) selegiline rheumatoid_arthritis GAP_HIGH 0.1511 0.375 phentermine High-priority: Binding assay selegiline→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) levonorgestrel metabolic_syndrome_x GAP_HIGH 0.1511 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.36) ethylmorphine migraine GAP_HIGH 0.1511 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in migraine cell model. Expected: similar to doxapram (Jaccard=0.33) indomethacin ankylosing_spondylitis GAP_HIGH 0.1511 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in ankylosing_spondylitis cell model. Expected: similar to ketoprofen (Jaccard=0.33) salbutamol urinary_bladder_cancer GAP_HIGH 0.1511 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) tamsulosin coronary_artery_disease GAP_HIGH 0.1511 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.32) practolol alzheimers_disease GAP_HIGH 0.1511 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in alzheimers_disease cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol liver_cancer GAP_HIGH 0.1511 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in liver_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol parkinsons_disease GAP_HIGH 0.1511 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in parkinsons_disease cell model. Expected: similar to l-tyrosine (Jaccard=0.31) isoetarine esophageal_cancer GAP_HIGH 0.1511 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.27) choline multiple_sclerosis GAP_HIGH 0.1511 0.25 diflorasone High-priority: Binding assay choline→?; validate in multiple_sclerosis cell model. Expected: similar to diflorasone (Jaccard=0.25) choline ovarian_cancer GAP_HIGH 0.1511 0.25 diflorasone High-priority: Binding assay choline→?; validate in ovarian_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline psoriasis GAP_HIGH 0.1511 0.25 diflorasone High-priority: Binding assay choline→?; validate in psoriasis cell model. Expected: similar to diflorasone (Jaccard=0.25) choline uterine_cancer GAP_HIGH 0.1511 0.25 diflorasone High-priority: Binding assay choline→?; validate in uterine_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) tolbutamide bipolar_disorder GAP_HIGH 0.1511 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in bipolar_disorder cell model. Expected: similar to telmisartan (Jaccard=0.25) cilazapril breast_cancer GAP_HIGH 0.1511 0.2 topotecan High-priority: Binding assay cilazapril→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) cilazapril colon_cancer GAP_HIGH 0.1511 0.2 topotecan High-priority: Binding assay cilazapril→?; validate in colon_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) cilazapril stomach_cancer GAP_HIGH 0.1511 0.2 topotecan High-priority: Binding assay cilazapril→?; validate in stomach_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) goserelin prostate_cancer GAP_HIGH 0.1511 0.2 ceruletide High-priority: Binding assay goserelin→?; validate in prostate_cancer cell model. Expected: similar to ceruletide (Jaccard=0.20) metolazone head_and_neck_cancer GAP_HIGH 0.1511 0.2 clodronate High-priority: Binding assay metolazone→?; validate in head_and_neck_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone malignant_glioma GAP_HIGH 0.1511 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in malignant_glioma cell model. Expected: similar to etidronic_acid (Jaccard=0.20) nilvadipine colon_cancer GAP_HIGH 0.1511 0.2 pimozide High-priority: Binding assay nilvadipine→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) ranolazine hematologic_cancer GAP_HIGH 0.1511 0.1875 tranylcypromine High-priority: Binding assay ranolazine→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.19) nicardipine narcolepsy GAP_HIGH 0.1511 0.18181818181818182 difenoxin High-priority: Binding assay nicardipine→?; validate in narcolepsy cell model. Expected: similar to difenoxin (Jaccard=0.18) olmesartan pancreatic_cancer GAP_HIGH 0.1511 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in pancreatic_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.18) trimethoprim bipolar_disorder GAP_HIGH 0.1511 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) primidone systemic_lupus_erythematosus GAP_HIGH 0.1511 0.16666666666666666 phenytoin High-priority: Binding assay primidone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenytoin (Jaccard=0.17) epoprostenol gout GAP_HIGH 0.1511 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in gout cell model. Expected: similar to estrone (Jaccard=0.15) calcium_acetate conduct_disorder GAP_LOW 0.1511 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs conduct_disorder targets. Cross-check calcium_acetate pharmacophore against conduct_disorder pathway. conivaptan hepatitis_b GAP_LOW 0.1511 0.125 tenofovir Low-priority: Computational docking conivaptan vs hepatitis_b targets. Cross-check conivaptan pharmacophore against hepatitis_b pathway. glimepiride hepatitis_b GAP_LOW 0.1511 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs hepatitis_b targets. Cross-check glimepiride pharmacophore against hepatitis_b pathway. dextrothyroxine psoriasis GAP_LOW 0.1511 0.1 aminosalicylic_acid Low-priority: Computational docking dextrothyroxine vs psoriasis targets. Cross-check dextrothyroxine pharmacophore against psoriasis pathway. alpha-linolenic_acid prostate_cancer GAP_LOW 0.1511 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs prostate_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against prostate_cancer pathway. baclofen dilated_cardiomyopathy GAP_LOW 0.1511 0.07142857142857142 trandolapril Low-priority: Computational docking baclofen vs dilated_cardiomyopathy targets. Cross-check baclofen pharmacophore against dilated_cardiomyopathy pathway. betamethasone multiple_sclerosis GAP_HIGH 0.151 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in multiple_sclerosis cell model. Expected: similar to amcinonide (Jaccard=0.59) l-glutamine asthma GAP_HIGH 0.151 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.44) l-glutamine colon_cancer GAP_HIGH 0.151 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) pazopanib crohns_disease GAP_HIGH 0.151 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.42) phenoxybenzamine vascular_cancer GAP_HIGH 0.151 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in vascular_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.42) imipramine attention_deficit_hyperactivity_disorder GAP_HIGH 0.151 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alvimopan (Jaccard=0.38) lidocaine coronary_artery_disease GAP_HIGH 0.151 0.375 chloroprocaine High-priority: Binding assay lidocaine→?; validate in coronary_artery_disease cell model. Expected: similar to chloroprocaine (Jaccard=0.38) danazol sclerosing_cholangitis GAP_HIGH 0.151 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in sclerosing_cholangitis cell model. Expected: similar to spironolactone (Jaccard=0.36) levonorgestrel skin_cancer GAP_HIGH 0.151 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in skin_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) acenocoumarol chronic_kidney_failure GAP_HIGH 0.151 0.3333333333333333 chlorprothixene High-priority: Binding assay acenocoumarol→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.33) conjugated_estrogens osteoarthritis GAP_HIGH 0.151 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in osteoarthritis cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens skin_cancer GAP_HIGH 0.151 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.33) dobutamine restless_legs_syndrome GAP_HIGH 0.151 0.3333333333333333 betaxolol High-priority: Binding assay dobutamine→?; validate in restless_legs_syndrome cell model. Expected: similar to betaxolol (Jaccard=0.33) indomethacin chronic_obstructive_pulmonary_disease GAP_HIGH 0.151 0.3333333333333333 nedocromil High-priority: Binding assay indomethacin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nedocromil (Jaccard=0.33) salbutamol attention_deficit_hyperactivity_disorder GAP_HIGH 0.151 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.33) difenoxin chronic_obstructive_pulmonary_disease GAP_HIGH 0.151 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) practolol amyotrophic_lateral_sclerosis GAP_HIGH 0.151 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol autistic_disorder GAP_HIGH 0.151 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in autistic_disorder cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol nicotine_dependence GAP_HIGH 0.151 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in nicotine_dependence cell model. Expected: similar to l-tyrosine (Jaccard=0.31) tolbutamide psoriasis GAP_HIGH 0.151 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in psoriasis cell model. Expected: similar to telmisartan (Jaccard=0.25) tolbutamide ulcerative_colitis GAP_HIGH 0.151 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in ulcerative_colitis cell model. Expected: similar to telmisartan (Jaccard=0.25) cytarabine breast_cancer GAP_HIGH 0.151 0.23076923076923078 lamivudine High-priority: Binding assay cytarabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.23) nimodipine muscle_cancer GAP_HIGH 0.151 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in muscle_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) cilazapril pancreatic_cancer GAP_HIGH 0.151 0.2 topotecan High-priority: Binding assay cilazapril→?; validate in pancreatic_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone kidney_cancer GAP_HIGH 0.151 0.2 clodronate High-priority: Binding assay metolazone→?; validate in kidney_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) dihomo-gamma-linolenic_acid obesity GAP_HIGH 0.151 0.1875 sodium_tetradecyl_sulfate High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in obesity cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.19) trimethoprim endogenous_depression GAP_HIGH 0.151 0.18181818181818182 l-arginine High-priority: Binding assay trimethoprim→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.18) aminolevulinic_acid alzheimers_disease GAP_LOW 0.151 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs alzheimers_disease targets. Cross-check aminolevulinic_acid pharmacophore against alzheimers_disease pathway. aminolevulinic_acid parkinsons_disease GAP_LOW 0.151 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs parkinsons_disease targets. Cross-check aminolevulinic_acid pharmacophore against parkinsons_disease pathway. aminophenazone liver_cancer GAP_LOW 0.151 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs liver_cancer targets. Cross-check aminophenazone pharmacophore against liver_cancer pathway. dinoprost_tromethamine germ_cell_cancer GAP_LOW 0.151 0.125 prednicarbate Low-priority: Computational docking dinoprost_tromethamine vs germ_cell_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against germ_cell_cancer pathway. primidone glaucoma GAP_LOW 0.151 0.125 chlorphenesin Low-priority: Computational docking primidone vs glaucoma targets. Cross-check primidone pharmacophore against glaucoma pathway. choline leprosy GAP_LOW 0.151 0.1 menadione Low-priority: Computational docking choline vs leprosy targets. Cross-check choline pharmacophore against leprosy pathway. testolactone barretts_esophagus GAP_LOW 0.151 0.05555555555555555 pantoprazole Low-priority: Computational docking testolactone vs barretts_esophagus targets. Cross-check testolactone pharmacophore against barretts_esophagus pathway. loxapine vascular_cancer GAP_HIGH 0.1509 0.5185185185185185 chlorpromazine High-priority: Binding assay loxapine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.52) phenprocoumon urinary_bladder_cancer GAP_HIGH 0.1509 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in urinary_bladder_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) benzphetamine mediastinal_cancer GAP_HIGH 0.1509 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) naproxen refractive_error GAP_HIGH 0.1509 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=0.44) pargyline pancreatitis GAP_HIGH 0.1509 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) l-glutamine allergic_rhinitis GAP_HIGH 0.1509 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.44) clonidine celiac_disease GAP_HIGH 0.1509 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in celiac_disease cell model. Expected: similar to bromfenac (Jaccard=0.41) orphenadrine sarcoma GAP_HIGH 0.1509 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in sarcoma cell model. Expected: similar to isopropamide (Jaccard=0.40) selegiline psoriatic_arthritis GAP_HIGH 0.1509 0.375 phentermine High-priority: Binding assay selegiline→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) doxylamine vaginal_cancer GAP_HIGH 0.1509 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in vaginal_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) doxylamine vulva_cancer GAP_HIGH 0.1509 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in vulva_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) indomethacin epilepsy_syndrome GAP_HIGH 0.1509 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in epilepsy_syndrome cell model. Expected: similar to ketoprofen (Jaccard=0.33) tamsulosin asthma GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in asthma cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin atopic_dermatitis GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in atopic_dermatitis cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin breast_cancer GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in breast_cancer cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin conduct_disorder GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in conduct_disorder cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin panic_disorder GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in panic_disorder cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin schizophrenia GAP_HIGH 0.1509 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in schizophrenia cell model. Expected: similar to propafenone (Jaccard=0.33) chlorpropamide vitiligo GAP_HIGH 0.1509 0.3157894736842105 zafirlukast High-priority: Binding assay chlorpropamide→?; validate in vitiligo cell model. Expected: similar to zafirlukast (Jaccard=0.32) desogestrel obesity GAP_HIGH 0.1509 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in obesity cell model. Expected: similar to progesterone (Jaccard=0.32) practolol urinary_bladder_cancer GAP_HIGH 0.1509 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) nimodipine lung_cancer GAP_HIGH 0.1509 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in lung_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine ocular_cancer GAP_HIGH 0.1509 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine rectum_cancer GAP_HIGH 0.1509 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) metolazone nephrolithiasis GAP_HIGH 0.1509 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in nephrolithiasis cell model. Expected: similar to etidronic_acid (Jaccard=0.20) pirbuterol dilated_cardiomyopathy GAP_HIGH 0.1509 0.2 milrinone High-priority: Binding assay pirbuterol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.20) olmesartan osteoporosis GAP_HIGH 0.1509 0.18181818181818182 tolbutamide High-priority: Binding assay olmesartan→?; validate in osteoporosis cell model. Expected: similar to tolbutamide (Jaccard=0.18) irbesartan pharynx_cancer GAP_HIGH 0.1509 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in pharynx_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) ranolazine celiac_disease GAP_HIGH 0.1509 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in celiac_disease cell model. Expected: similar to methylphenidate (Jaccard=0.17) carboprost_tromethamine asthma GAP_HIGH 0.1509 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in asthma cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol hematologic_cancer GAP_HIGH 0.1509 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in hematologic_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid amyotrophic_lateral_sclerosis GAP_LOW 0.1509 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs amyotrophic_lateral_sclerosis targets. Cross-check aminolevulinic_acid pharmacophore against amyotrophic_lateral_sclerosis pathway. propofol mediastinal_cancer GAP_LOW 0.1509 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs mediastinal_cancer targets. Cross-check propofol pharmacophore against mediastinal_cancer pathway. calcium_acetate bipolar_disorder GAP_LOW 0.1509 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs bipolar_disorder targets. Cross-check calcium_acetate pharmacophore against bipolar_disorder pathway. calcium_acetate endogenous_depression GAP_LOW 0.1509 0.13333333333333333 l-ornithine Low-priority: Computational docking calcium_acetate vs endogenous_depression targets. Cross-check calcium_acetate pharmacophore against endogenous_depression pathway. doxycycline head_and_neck_cancer GAP_LOW 0.1509 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs head_and_neck_cancer targets. Cross-check doxycycline pharmacophore against head_and_neck_cancer pathway. doxycycline malignant_glioma GAP_LOW 0.1509 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs malignant_glioma targets. Cross-check doxycycline pharmacophore against malignant_glioma pathway. alpha-linolenic_acid mediastinal_cancer GAP_LOW 0.1509 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs mediastinal_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against mediastinal_cancer pathway. alpha-linolenic_acid primary_biliary_cirrhosis GAP_LOW 0.1509 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs primary_biliary_cirrhosis targets. Cross-check alpha-linolenic_acid pharmacophore against primary_biliary_cirrhosis pathway. adenine barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking adenine vs barretts_esophagus targets. Cross-check adenine pharmacophore against barretts_esophagus pathway. chlordiazepoxide barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking chlordiazepoxide vs barretts_esophagus targets. Cross-check chlordiazepoxide pharmacophore against barretts_esophagus pathway. codeine hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking codeine vs hypothyroidism targets. Cross-check codeine pharmacophore against hypothyroidism pathway. cytarabine hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking cytarabine vs hypothyroidism targets. Cross-check cytarabine pharmacophore against hypothyroidism pathway. dasatinib hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking dasatinib vs hypothyroidism targets. Cross-check dasatinib pharmacophore against hypothyroidism pathway. imatinib hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking imatinib vs hypothyroidism targets. Cross-check imatinib pharmacophore against hypothyroidism pathway. masoprocol barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking masoprocol vs barretts_esophagus targets. Cross-check masoprocol pharmacophore against barretts_esophagus pathway. mazindol barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking mazindol vs barretts_esophagus targets. Cross-check mazindol pharmacophore against barretts_esophagus pathway. nilotinib hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking nilotinib vs hypothyroidism targets. Cross-check nilotinib pharmacophore against hypothyroidism pathway. prednisolone barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking prednisolone vs barretts_esophagus targets. Cross-check prednisolone pharmacophore against barretts_esophagus pathway. tamsulosin hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking tamsulosin vs hypothyroidism targets. Cross-check tamsulosin pharmacophore against hypothyroidism pathway. thalidomide hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking thalidomide vs hypothyroidism targets. Cross-check thalidomide pharmacophore against hypothyroidism pathway. tioguanine barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking tioguanine vs barretts_esophagus targets. Cross-check tioguanine pharmacophore against barretts_esophagus pathway. topotecan barretts_esophagus GAP_LOW 0.1509 0.0 pantoprazole Low-priority: Computational docking topotecan vs barretts_esophagus targets. Cross-check topotecan pharmacophore against barretts_esophagus pathway. vorinostat hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking vorinostat vs hypothyroidism targets. Cross-check vorinostat pharmacophore against hypothyroidism pathway. zafirlukast hypothyroidism GAP_LOW 0.1509 0.0 methimazole Low-priority: Computational docking zafirlukast vs hypothyroidism targets. Cross-check zafirlukast pharmacophore against hypothyroidism pathway. betamethasone systemic_lupus_erythematosus GAP_HIGH 0.1508 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to amcinonide (Jaccard=0.59) bethanidine salivary_gland_cancer GAP_HIGH 0.1508 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in salivary_gland_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) desipramine hepatitis_b GAP_HIGH 0.1508 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.43) indecainide celiac_disease GAP_HIGH 0.1508 0.4 phenindamine High-priority: Binding assay indecainide→?; validate in celiac_disease cell model. Expected: similar to phenindamine (Jaccard=0.40) tamsulosin allergic_rhinitis GAP_HIGH 0.1508 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in allergic_rhinitis cell model. Expected: similar to propafenone (Jaccard=0.33) ketazolam muscle_cancer GAP_HIGH 0.1508 0.3181818181818182 azelastine High-priority: Binding assay ketazolam→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) practolol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1508 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-tyrosine (Jaccard=0.31) mepenzolate hematologic_cancer GAP_HIGH 0.1508 0.3 isopropamide High-priority: Binding assay mepenzolate→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.30) allylestrenol type_1_diabetes_mellitus GAP_HIGH 0.1508 0.26666666666666666 betamethasone High-priority: Binding assay allylestrenol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.27) chlorthalidone gilles_de_la_tourette_syndrome GAP_HIGH 0.1508 0.2608695652173913 loxapine High-priority: Binding assay chlorthalidone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.26) nimodipine alzheimers_disease GAP_HIGH 0.1508 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in alzheimers_disease cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine parkinsons_disease GAP_HIGH 0.1508 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in parkinsons_disease cell model. Expected: similar to ifenprodil (Jaccard=0.23) alcaftadine malaria GAP_HIGH 0.1508 0.2222222222222222 caffeine High-priority: Binding assay alcaftadine→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.22) tofisopam sclerosing_cholangitis GAP_HIGH 0.1508 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) ceruletide type_2_diabetes_mellitus GAP_HIGH 0.1508 0.2 goserelin High-priority: Binding assay ceruletide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to goserelin (Jaccard=0.20) nilvadipine ovarian_cancer GAP_HIGH 0.1508 0.2 pimozide High-priority: Binding assay nilvadipine→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) amiloride asthma GAP_HIGH 0.1508 0.16666666666666666 etonogestrel High-priority: Binding assay amiloride→?; validate in asthma cell model. Expected: similar to etonogestrel (Jaccard=0.17) amiloride atopic_dermatitis GAP_HIGH 0.1508 0.16666666666666666 dopamine High-priority: Binding assay amiloride→?; validate in atopic_dermatitis cell model. Expected: similar to dopamine (Jaccard=0.17) amiloride colon_cancer GAP_HIGH 0.1508 0.16666666666666666 etonogestrel High-priority: Binding assay amiloride→?; validate in colon_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.17) carboprost_tromethamine allergic_rhinitis GAP_HIGH 0.1508 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in allergic_rhinitis cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine atopic_dermatitis GAP_HIGH 0.1508 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in atopic_dermatitis cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine colon_cancer GAP_HIGH 0.1508 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in colon_cancer cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine hypertension GAP_HIGH 0.1508 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine stomach_cancer GAP_HIGH 0.1508 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in stomach_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid peripheral_nervous_system_neoplasm GAP_LOW 0.1508 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs peripheral_nervous_system_neoplasm targets. Cross-check aminolevulinic_acid pharmacophore against peripheral_nervous_system_neoplasm pathway. aminophenazone peripheral_nervous_system_neoplasm GAP_LOW 0.1508 0.14285714285714285 raloxifene Low-priority: Computational docking aminophenazone vs peripheral_nervous_system_neoplasm targets. Cross-check aminophenazone pharmacophore against peripheral_nervous_system_neoplasm pathway. dinoprost_tromethamine osteoporosis GAP_LOW 0.1508 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs osteoporosis targets. Cross-check dinoprost_tromethamine pharmacophore against osteoporosis pathway. polythiazide larynx_cancer GAP_LOW 0.1508 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs larynx_cancer targets. Cross-check polythiazide pharmacophore against larynx_cancer pathway. propofol thymus_cancer GAP_LOW 0.1508 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs thymus_cancer targets. Cross-check propofol pharmacophore against thymus_cancer pathway. alpha-linolenic_acid thymus_cancer GAP_LOW 0.1508 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs thymus_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against thymus_cancer pathway. amobarbital dilated_cardiomyopathy GAP_LOW 0.1508 0.045454545454545456 rimexolone Low-priority: Computational docking amobarbital vs dilated_cardiomyopathy targets. Cross-check amobarbital pharmacophore against dilated_cardiomyopathy pathway. gefitinib primary_biliary_cirrhosis GAP_HIGH 0.1507 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vandetanib (Jaccard=0.61) chlorprothixene gilles_de_la_tourette_syndrome GAP_HIGH 0.1507 0.5 loxapine High-priority: Binding assay chlorprothixene→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.50) benzphetamine thymus_cancer GAP_HIGH 0.1507 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) l-glutamine osteoporosis GAP_HIGH 0.1507 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.44) l-glutamine uterine_cancer GAP_HIGH 0.1507 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) azatadine crohns_disease GAP_HIGH 0.1507 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.43) menadione stomach_cancer GAP_HIGH 0.1507 0.42857142857142855 lenalidomide High-priority: Binding assay menadione→?; validate in stomach_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.43) diphemanil_methylsulfate peripheral_nervous_system_neoplasm GAP_HIGH 0.1507 0.42105263157894735 loperamide High-priority: Binding assay diphemanil_methylsulfate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to loperamide (Jaccard=0.42) phenoxybenzamine uterine_fibroid GAP_HIGH 0.1507 0.4166666666666667 tamoxifen High-priority: Binding assay phenoxybenzamine→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.42) mestranol restless_legs_syndrome GAP_HIGH 0.1507 0.4 estrone High-priority: Binding assay mestranol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.40) tolmetin crohns_disease GAP_HIGH 0.1507 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in crohns_disease cell model. Expected: similar to bromfenac (Jaccard=0.39) alverine focal_segmental_glomerulosclerosis GAP_HIGH 0.1507 0.38461538461538464 promethazine High-priority: Binding assay alverine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.38) levonorgestrel obesity GAP_HIGH 0.1507 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine melanoma GAP_HIGH 0.1507 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.36) levomilnacipran metabolic_syndrome_x GAP_HIGH 0.1507 0.3333333333333333 brompheniramine High-priority: Binding assay levomilnacipran→?; validate in metabolic_syndrome_x cell model. Expected: similar to brompheniramine (Jaccard=0.33) salbutamol conduct_disorder GAP_HIGH 0.1507 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol panic_disorder GAP_HIGH 0.1507 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol schizophrenia GAP_HIGH 0.1507 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.33) tamsulosin bipolar_disorder GAP_HIGH 0.1507 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in bipolar_disorder cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin endogenous_depression GAP_HIGH 0.1507 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in endogenous_depression cell model. Expected: similar to propafenone (Jaccard=0.33) difenoxin salivary_gland_cancer GAP_HIGH 0.1507 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) cinolazepam gilles_de_la_tourette_syndrome GAP_HIGH 0.1507 0.3125 fludiazepam High-priority: Binding assay cinolazepam→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to fludiazepam (Jaccard=0.31) allylestrenol pancreatitis GAP_HIGH 0.1507 0.3 fulvestrant High-priority: Binding assay allylestrenol→?; validate in pancreatitis cell model. Expected: similar to fulvestrant (Jaccard=0.30) ketazolam malignant_mesothelioma GAP_HIGH 0.1507 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.30) adinazolam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1507 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.29) choline metabolic_syndrome_x GAP_HIGH 0.1507 0.25 prazosin High-priority: Binding assay choline→?; validate in metabolic_syndrome_x cell model. Expected: similar to prazosin (Jaccard=0.25) quinethazone focal_segmental_glomerulosclerosis GAP_HIGH 0.1507 0.23809523809523808 tamsulosin High-priority: Binding assay quinethazone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to tamsulosin (Jaccard=0.24) methsuximide hematologic_cancer GAP_HIGH 0.1507 0.23076923076923078 azelastine High-priority: Binding assay methsuximide→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.23) nimodipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1507 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine autistic_disorder GAP_HIGH 0.1507 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in autistic_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine nicotine_dependence GAP_HIGH 0.1507 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in nicotine_dependence cell model. Expected: similar to ifenprodil (Jaccard=0.23) isradipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1507 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine prostate_cancer GAP_HIGH 0.1507 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in prostate_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) zolmitriptan epilepsy_syndrome GAP_HIGH 0.1507 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in epilepsy_syndrome cell model. Expected: similar to eletriptan (Jaccard=0.18) amiloride allergic_rhinitis GAP_HIGH 0.1507 0.16666666666666666 dopamine High-priority: Binding assay amiloride→?; validate in allergic_rhinitis cell model. Expected: similar to dopamine (Jaccard=0.17) flutamide hematologic_cancer GAP_HIGH 0.1507 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in hematologic_cancer cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide narcolepsy GAP_HIGH 0.1507 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in narcolepsy cell model. Expected: similar to butenafine (Jaccard=0.17) nicardipine azoospermia GAP_HIGH 0.1507 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.17) carboprost_tromethamine pancreatic_cancer GAP_HIGH 0.1507 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in pancreatic_cancer cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone meningioma GAP_HIGH 0.1507 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.15) sulfamethizole pagets_disease_of_bone GAP_LOW 0.1507 0.1 clodronate Low-priority: Computational docking sulfamethizole vs pagets_disease_of_bone targets. Cross-check sulfamethizole pharmacophore against pagets_disease_of_bone pathway. dronedarone focal_segmental_glomerulosclerosis GAP_LOW 0.1507 0.08695652173913043 naftifine Low-priority: Computational docking dronedarone vs focal_segmental_glomerulosclerosis targets. Cross-check dronedarone pharmacophore against focal_segmental_glomerulosclerosis pathway. aminolevulinic_acid dilated_cardiomyopathy GAP_LOW 0.1507 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs dilated_cardiomyopathy targets. Cross-check aminolevulinic_acid pharmacophore against dilated_cardiomyopathy pathway. l-glutamine sarcoma GAP_HIGH 0.1506 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.44) mestranol vitiligo GAP_HIGH 0.1506 0.4 estrone High-priority: Binding assay mestranol→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.40) thalidomide systemic_scleroderma GAP_HIGH 0.1506 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in systemic_scleroderma cell model. Expected: similar to indomethacin (Jaccard=0.38) anileridine duodenum_cancer GAP_HIGH 0.1506 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) anileridine gallbladder_cancer GAP_HIGH 0.1506 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) conjugated_estrogens systemic_scleroderma GAP_HIGH 0.1506 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.33) salbutamol colon_cancer GAP_HIGH 0.1506 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.33) salbutamol stomach_cancer GAP_HIGH 0.1506 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) tamsulosin osteoporosis GAP_HIGH 0.1506 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in osteoporosis cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin psoriasis GAP_HIGH 0.1506 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in psoriasis cell model. Expected: similar to propafenone (Jaccard=0.33) choline osteoarthritis GAP_HIGH 0.1506 0.25 diflorasone High-priority: Binding assay choline→?; validate in osteoarthritis cell model. Expected: similar to diflorasone (Jaccard=0.25) metaraminol muscle_cancer GAP_HIGH 0.1506 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) nimodipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1506 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine urinary_bladder_cancer GAP_HIGH 0.1506 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) etidronic_acid focal_segmental_glomerulosclerosis GAP_HIGH 0.1506 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to metolazone (Jaccard=0.20) methylphenobarbital vaginal_cancer GAP_HIGH 0.1506 0.2 chlorcyclizine High-priority: Binding assay methylphenobarbital→?; validate in vaginal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) methylphenobarbital vulva_cancer GAP_HIGH 0.1506 0.2 chlorcyclizine High-priority: Binding assay methylphenobarbital→?; validate in vulva_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) benzthiazide duodenum_cancer GAP_HIGH 0.1506 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide gallbladder_cancer GAP_HIGH 0.1506 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide melanoma GAP_HIGH 0.1506 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan thyroid_cancer GAP_HIGH 0.1506 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in thyroid_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) carboprost_tromethamine psoriasis GAP_HIGH 0.1506 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine ulcerative_colitis GAP_HIGH 0.1506 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in ulcerative_colitis cell model. Expected: similar to estrone (Jaccard=0.15) dinoprost_tromethamine esophageal_cancer GAP_LOW 0.1506 0.1111111111111111 dexamethasone Low-priority: Computational docking dinoprost_tromethamine vs esophageal_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against esophageal_cancer pathway. sodium_tetradecyl_sulfate focal_segmental_glomerulosclerosis GAP_LOW 0.1506 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs focal_segmental_glomerulosclerosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against focal_segmental_glomerulosclerosis pathway. alpha-linolenic_acid intracranial_aneurysm GAP_LOW 0.1506 0.0625 procarbazine Low-priority: Computational docking alpha-linolenic_acid vs intracranial_aneurysm targets. Cross-check alpha-linolenic_acid pharmacophore against intracranial_aneurysm pathway. vandetanib ulcerative_colitis GAP_HIGH 0.1505 0.6060606060606061 gefitinib High-priority: Binding assay vandetanib→?; validate in ulcerative_colitis cell model. Expected: similar to gefitinib (Jaccard=0.61) clozapine metabolic_syndrome_x GAP_HIGH 0.1505 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in metabolic_syndrome_x cell model. Expected: similar to oxaprozin (Jaccard=0.50) pargyline ocular_cancer GAP_HIGH 0.1505 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) medrysone type_1_diabetes_mellitus GAP_HIGH 0.1505 0.42857142857142855 hydrocortisone High-priority: Binding assay medrysone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.43) azatadine azoospermia GAP_HIGH 0.1505 0.4166666666666667 trifluoperazine High-priority: Binding assay azatadine→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.42) methyltestosterone pancreatitis GAP_HIGH 0.1505 0.3888888888888889 fluoxymesterone High-priority: Binding assay methyltestosterone→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) danazol ankylosing_spondylitis GAP_HIGH 0.1505 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in ankylosing_spondylitis cell model. Expected: similar to spironolactone (Jaccard=0.36) salbutamol bipolar_disorder GAP_HIGH 0.1505 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol pancreatic_cancer GAP_HIGH 0.1505 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.33) difenoxin rectum_cancer GAP_HIGH 0.1505 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in rectum_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) practolol breast_cancer GAP_HIGH 0.1505 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in breast_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol conduct_disorder GAP_HIGH 0.1505 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in conduct_disorder cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol panic_disorder GAP_HIGH 0.1505 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in panic_disorder cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol schizophrenia GAP_HIGH 0.1505 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in schizophrenia cell model. Expected: similar to l-tyrosine (Jaccard=0.31) choline testicular_cancer GAP_HIGH 0.1505 0.25 diflorasone High-priority: Binding assay choline→?; validate in testicular_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline vaginal_cancer GAP_HIGH 0.1505 0.25 diflorasone High-priority: Binding assay choline→?; validate in vaginal_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) choline vulva_cancer GAP_HIGH 0.1505 0.25 diflorasone High-priority: Binding assay choline→?; validate in vulva_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) nimodipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1505 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.23) sulpiride creutzfeldt-jakob_disease GAP_HIGH 0.1505 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to lisinopril (Jaccard=0.21) tofisopam pharynx_cancer GAP_HIGH 0.1505 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) clofibrate malignant_mesothelioma GAP_HIGH 0.1505 0.2 warfarin High-priority: Binding assay clofibrate→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.20) isradipine mediastinal_cancer GAP_HIGH 0.1505 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in mediastinal_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) aprobarbital sarcoma GAP_HIGH 0.1505 0.16666666666666666 phenytoin High-priority: Binding assay aprobarbital→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.17) butethal sarcoma GAP_HIGH 0.1505 0.16666666666666666 phenytoin High-priority: Binding assay butethal→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.17) clofibrate hepatitis_b GAP_HIGH 0.1505 0.16666666666666666 mitiglinide High-priority: Binding assay clofibrate→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.17) carboprost_tromethamine migraine GAP_HIGH 0.1505 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in migraine cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine multiple_sclerosis GAP_HIGH 0.1505 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in multiple_sclerosis cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine osteoporosis GAP_HIGH 0.1505 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in osteoporosis cell model. Expected: similar to estrone (Jaccard=0.15) carboprost_tromethamine ovarian_cancer GAP_HIGH 0.1505 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in ovarian_cancer cell model. Expected: similar to estrone (Jaccard=0.15) sodium_tetradecyl_sulfate stomach_cancer GAP_LOW 0.1505 0.1 prednisolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs stomach_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against stomach_cancer pathway. sodium_tetradecyl_sulfate nephrolithiasis GAP_LOW 0.1505 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs nephrolithiasis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against nephrolithiasis pathway. alpha-linolenic_acid celiac_disease GAP_LOW 0.1505 0.06666666666666667 salicylate-sodium Low-priority: Computational docking alpha-linolenic_acid vs celiac_disease targets. Cross-check alpha-linolenic_acid pharmacophore against celiac_disease pathway. acetic_acid pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking acetic_acid vs pagets_disease_of_bone targets. Cross-check acetic_acid pharmacophore against pagets_disease_of_bone pathway. aminocaproic_acid pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking aminocaproic_acid vs pagets_disease_of_bone targets. Cross-check aminocaproic_acid pharmacophore against pagets_disease_of_bone pathway. benzthiazide pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking benzthiazide vs pagets_disease_of_bone targets. Cross-check benzthiazide pharmacophore against pagets_disease_of_bone pathway. esmolol pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking esmolol vs pagets_disease_of_bone targets. Cross-check esmolol pharmacophore against pagets_disease_of_bone pathway. methocarbamol pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking methocarbamol vs pagets_disease_of_bone targets. Cross-check methocarbamol pharmacophore against pagets_disease_of_bone pathway. quinestrol pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking quinestrol vs pagets_disease_of_bone targets. Cross-check quinestrol pharmacophore against pagets_disease_of_bone pathway. streptozocin pagets_disease_of_bone GAP_LOW 0.1505 0.0 ibandronate Low-priority: Computational docking streptozocin vs pagets_disease_of_bone targets. Cross-check streptozocin pharmacophore against pagets_disease_of_bone pathway. diphenhydramine parkinsons_disease GAP_HIGH 0.1504 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in parkinsons_disease cell model. Expected: similar to naftifine (Jaccard=0.63) chlorpromazine systemic_scleroderma GAP_HIGH 0.1504 0.6 chlorprothixene High-priority: Binding assay chlorpromazine→?; validate in systemic_scleroderma cell model. Expected: similar to chlorprothixene (Jaccard=0.60) clozapine skin_cancer GAP_HIGH 0.1504 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.50) ethinyl_estradiol meningioma GAP_HIGH 0.1504 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.47) phenprocoumon stomach_cancer GAP_HIGH 0.1504 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in stomach_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) methotrexate membranous_glomerulonephritis GAP_HIGH 0.1504 0.42857142857142855 trifluridine High-priority: Binding assay methotrexate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluridine (Jaccard=0.43) bromodiphenhydramine gout GAP_HIGH 0.1504 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.40) orphenadrine testicular_cancer GAP_HIGH 0.1504 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in testicular_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) vinblastine hematologic_cancer GAP_HIGH 0.1504 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in hematologic_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) danazol thyroid_cancer GAP_HIGH 0.1504 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in thyroid_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) thalidomide autistic_disorder GAP_HIGH 0.1504 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.36) thalidomide nicotine_dependence GAP_HIGH 0.1504 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.36) doxylamine uterine_fibroid GAP_HIGH 0.1504 0.3333333333333333 propiomazine High-priority: Binding assay doxylamine→?; validate in uterine_fibroid cell model. Expected: similar to propiomazine (Jaccard=0.33) flurazepam pancreatitis GAP_HIGH 0.1504 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in pancreatitis cell model. Expected: similar to midazolam (Jaccard=0.33) salbutamol endogenous_depression GAP_HIGH 0.1504 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.33) salbutamol osteoporosis GAP_HIGH 0.1504 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in osteoporosis cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol ulcerative_colitis GAP_HIGH 0.1504 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.33) trilostane pancreatitis GAP_HIGH 0.1504 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in pancreatitis cell model. Expected: similar to prednisone (Jaccard=0.33) voacamine larynx_cancer GAP_HIGH 0.1504 0.3333333333333333 vinblastine High-priority: Binding assay voacamine→?; validate in larynx_cancer cell model. Expected: similar to vinblastine (Jaccard=0.33) difenoxin ocular_cancer GAP_HIGH 0.1504 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) desogestrel restless_legs_syndrome GAP_HIGH 0.1504 0.3157894736842105 progesterone High-priority: Binding assay desogestrel→?; validate in restless_legs_syndrome cell model. Expected: similar to progesterone (Jaccard=0.32) practolol atopic_dermatitis GAP_HIGH 0.1504 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in atopic_dermatitis cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol colon_cancer GAP_HIGH 0.1504 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in colon_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol stomach_cancer GAP_HIGH 0.1504 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in stomach_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) azacitidine polycystic_ovary_syndrome GAP_HIGH 0.1504 0.2857142857142857 lamivudine High-priority: Binding assay azacitidine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.29) codeine epilepsy_syndrome GAP_HIGH 0.1504 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in epilepsy_syndrome cell model. Expected: similar to doxapram (Jaccard=0.27) dopamine head_and_neck_cancer GAP_HIGH 0.1504 0.25 vincristine High-priority: Binding assay dopamine→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) dopamine malignant_glioma GAP_HIGH 0.1504 0.25 vincristine High-priority: Binding assay dopamine→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.25) tolbutamide skin_cancer GAP_HIGH 0.1504 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in skin_cancer cell model. Expected: similar to telmisartan (Jaccard=0.25) carvedilol gout GAP_HIGH 0.1504 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in gout cell model. Expected: similar to gliclazide (Jaccard=0.21) isradipine gout GAP_HIGH 0.1504 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in gout cell model. Expected: similar to desoximetasone (Jaccard=0.20) nandrolone_phenpropionate alcohol_dependence GAP_HIGH 0.1504 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in alcohol_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.20) dihomo-gamma-linolenic_acid type_2_diabetes_mellitus GAP_HIGH 0.1504 0.1875 sodium_tetradecyl_sulfate High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to sodium_tetradecyl_sulfate (Jaccard=0.19) valsartan gout GAP_HIGH 0.1504 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in gout cell model. Expected: similar to tolbutamide (Jaccard=0.18) amiloride migraine GAP_HIGH 0.1504 0.16666666666666666 triamterene High-priority: Binding assay amiloride→?; validate in migraine cell model. Expected: similar to triamterene (Jaccard=0.17) estropipate glaucoma GAP_HIGH 0.1504 0.16666666666666666 choline High-priority: Binding assay estropipate→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) aminolevulinic_acid asthma GAP_LOW 0.1504 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs asthma targets. Cross-check aminolevulinic_acid pharmacophore against asthma pathway. aminolevulinic_acid breast_cancer GAP_LOW 0.1504 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs breast_cancer targets. Cross-check aminolevulinic_acid pharmacophore against breast_cancer pathway. flutamide brain_cancer GAP_LOW 0.1504 0.14285714285714285 epirubicin Low-priority: Computational docking flutamide vs brain_cancer targets. Cross-check flutamide pharmacophore against brain_cancer pathway. flutamide intracranial_aneurysm GAP_LOW 0.1504 0.14285714285714285 epirubicin Low-priority: Computational docking flutamide vs intracranial_aneurysm targets. Cross-check flutamide pharmacophore against intracranial_aneurysm pathway. doxycycline penile_cancer GAP_LOW 0.1504 0.1 afatinib Low-priority: Computational docking doxycycline vs penile_cancer targets. Cross-check doxycycline pharmacophore against penile_cancer pathway. hydrocortisone barretts_esophagus GAP_LOW 0.1504 0.05 pantoprazole Low-priority: Computational docking hydrocortisone vs barretts_esophagus targets. Cross-check hydrocortisone pharmacophore against barretts_esophagus pathway. phenytoin barretts_esophagus GAP_LOW 0.1504 0.04 pantoprazole Low-priority: Computational docking phenytoin vs barretts_esophagus targets. Cross-check phenytoin pharmacophore against barretts_esophagus pathway. clozapine barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking clozapine vs barretts_esophagus targets. Cross-check clozapine pharmacophore against barretts_esophagus pathway. levonordefrin barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking levonordefrin vs barretts_esophagus targets. Cross-check levonordefrin pharmacophore against barretts_esophagus pathway. methotrexate barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking methotrexate vs barretts_esophagus targets. Cross-check methotrexate pharmacophore against barretts_esophagus pathway. methylprednisolone barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking methylprednisolone vs barretts_esophagus targets. Cross-check methylprednisolone pharmacophore against barretts_esophagus pathway. paclitaxel barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking paclitaxel vs barretts_esophagus targets. Cross-check paclitaxel pharmacophore against barretts_esophagus pathway. prochlorperazine barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking prochlorperazine vs barretts_esophagus targets. Cross-check prochlorperazine pharmacophore against barretts_esophagus pathway. temazepam barretts_esophagus GAP_LOW 0.1504 0.0 pantoprazole Low-priority: Computational docking temazepam vs barretts_esophagus targets. Cross-check temazepam pharmacophore against barretts_esophagus pathway. nortriptyline lung_cancer GAP_HIGH 0.1503 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in lung_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) nortriptyline rectum_cancer GAP_HIGH 0.1503 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in rectum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) phenprocoumon pancreatic_cancer GAP_HIGH 0.1503 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in pancreatic_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) pazopanib gout GAP_HIGH 0.1503 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.42) azatadine membranous_glomerulonephritis GAP_HIGH 0.1503 0.4166666666666667 trifluoperazine High-priority: Binding assay azatadine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.42) imipramine sarcoma GAP_HIGH 0.1503 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in sarcoma cell model. Expected: similar to alvimopan (Jaccard=0.38) anileridine sclerosing_cholangitis GAP_HIGH 0.1503 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) antazoline esophageal_cancer GAP_HIGH 0.1503 0.3333333333333333 tamoxifen High-priority: Binding assay antazoline→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) indomethacin alzheimers_disease GAP_HIGH 0.1503 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in alzheimers_disease cell model. Expected: similar to ketoprofen (Jaccard=0.33) indomethacin parkinsons_disease GAP_HIGH 0.1503 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in parkinsons_disease cell model. Expected: similar to ketoprofen (Jaccard=0.33) loteprednol type_1_diabetes_mellitus GAP_HIGH 0.1503 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) salbutamol migraine GAP_HIGH 0.1503 0.3333333333333333 l-dopa High-priority: Binding assay salbutamol→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.33) salbutamol multiple_sclerosis GAP_HIGH 0.1503 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.33) practolol bipolar_disorder GAP_HIGH 0.1503 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in bipolar_disorder cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol endogenous_depression GAP_HIGH 0.1503 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in endogenous_depression cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol pancreatic_cancer GAP_HIGH 0.1503 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in pancreatic_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol ulcerative_colitis GAP_HIGH 0.1503 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in ulcerative_colitis cell model. Expected: similar to l-tyrosine (Jaccard=0.31) choline obesity GAP_HIGH 0.1503 0.25 metformin High-priority: Binding assay choline→?; validate in obesity cell model. Expected: similar to metformin (Jaccard=0.25) choline vascular_cancer GAP_HIGH 0.1503 0.25 diflorasone High-priority: Binding assay choline→?; validate in vascular_cancer cell model. Expected: similar to diflorasone (Jaccard=0.25) zolpidem chronic_obstructive_pulmonary_disease GAP_HIGH 0.1503 0.25 pefloxacin High-priority: Binding assay zolpidem→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to pefloxacin (Jaccard=0.25) tofisopam ankylosing_spondylitis GAP_HIGH 0.1503 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) colchicine alopecia_areata GAP_HIGH 0.1503 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.20) isradipine thymus_cancer GAP_HIGH 0.1503 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in thymus_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) l-asparagine systemic_lupus_erythematosus GAP_HIGH 0.1503 0.2 penicillamine High-priority: Binding assay l-asparagine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.20) nicardipine vitiligo GAP_HIGH 0.1503 0.2 pimozide High-priority: Binding assay nicardipine→?; validate in vitiligo cell model. Expected: similar to pimozide (Jaccard=0.20) remifentanil esophageal_cancer GAP_HIGH 0.1503 0.2 tamoxifen High-priority: Binding assay remifentanil→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) streptozocin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1503 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dipivefrin (Jaccard=0.20) ranolazine melanoma GAP_HIGH 0.1503 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in melanoma cell model. Expected: similar to probenecid (Jaccard=0.19) nilvadipine narcolepsy GAP_HIGH 0.1503 0.18181818181818182 difenoxin High-priority: Binding assay nilvadipine→?; validate in narcolepsy cell model. Expected: similar to difenoxin (Jaccard=0.18) benzthiazide sclerosing_cholangitis GAP_HIGH 0.1503 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan pancreatitis GAP_HIGH 0.1503 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in pancreatitis cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan salivary_gland_cancer GAP_HIGH 0.1503 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in salivary_gland_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) carboprost_tromethamine systemic_lupus_erythematosus GAP_HIGH 0.1503 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid allergic_rhinitis GAP_LOW 0.1503 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs allergic_rhinitis targets. Cross-check aminolevulinic_acid pharmacophore against allergic_rhinitis pathway. aminolevulinic_acid colon_cancer GAP_LOW 0.1503 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs colon_cancer targets. Cross-check aminolevulinic_acid pharmacophore against colon_cancer pathway. dinoprost_tromethamine osteoarthritis GAP_LOW 0.1503 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs osteoarthritis targets. Cross-check dinoprost_tromethamine pharmacophore against osteoarthritis pathway. benazepril lymphatic_system_cancer GAP_LOW 0.1503 0.125 gemcitabine Low-priority: Computational docking benazepril vs lymphatic_system_cancer targets. Cross-check benazepril pharmacophore against lymphatic_system_cancer pathway. zolmitriptan malaria GAP_LOW 0.1503 0.11764705882352941 sulfamethizole Low-priority: Computational docking zolmitriptan vs malaria targets. Cross-check zolmitriptan pharmacophore against malaria pathway. vitamin_c narcolepsy GAP_LOW 0.1503 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking vitamin_c vs narcolepsy targets. Cross-check vitamin_c pharmacophore against narcolepsy pathway. primidone gestational_diabetes GAP_LOW 0.1503 0.041666666666666664 bezafibrate Low-priority: Computational docking primidone vs gestational_diabetes targets. Cross-check primidone pharmacophore against gestational_diabetes pathway. pargyline peripheral_nervous_system_neoplasm GAP_HIGH 0.1502 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) l-glutamine skin_cancer GAP_HIGH 0.1502 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) bethanidine urinary_bladder_cancer GAP_HIGH 0.1502 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in urinary_bladder_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) azatadine prostate_cancer GAP_HIGH 0.1502 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) orphenadrine vascular_cancer GAP_HIGH 0.1502 0.4 isopropamide High-priority: Binding assay orphenadrine→?; validate in vascular_cancer cell model. Expected: similar to isopropamide (Jaccard=0.40) nitrazepam pancreatitis GAP_HIGH 0.1502 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in pancreatitis cell model. Expected: similar to midazolam (Jaccard=0.38) thalidomide restless_legs_syndrome GAP_HIGH 0.1502 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in restless_legs_syndrome cell model. Expected: similar to indomethacin (Jaccard=0.38) levonorgestrel restless_legs_syndrome GAP_HIGH 0.1502 0.36363636363636365 spironolactone High-priority: Binding assay levonorgestrel→?; validate in restless_legs_syndrome cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens restless_legs_syndrome GAP_HIGH 0.1502 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.33) sulfadiazine coronary_artery_disease GAP_HIGH 0.1502 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in coronary_artery_disease cell model. Expected: similar to olsalazine (Jaccard=0.33) practolol multiple_sclerosis GAP_HIGH 0.1502 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in multiple_sclerosis cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol ovarian_cancer GAP_HIGH 0.1502 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in ovarian_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol uterine_cancer GAP_HIGH 0.1502 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in uterine_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) ethotoin chronic_kidney_failure GAP_HIGH 0.1502 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.30) dopamine nephrolithiasis GAP_HIGH 0.1502 0.25 vincristine High-priority: Binding assay dopamine→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.25) nimodipine asthma GAP_HIGH 0.1502 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in asthma cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine conduct_disorder GAP_HIGH 0.1502 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in conduct_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine panic_disorder GAP_HIGH 0.1502 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in panic_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine schizophrenia GAP_HIGH 0.1502 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in schizophrenia cell model. Expected: similar to ifenprodil (Jaccard=0.23) isradipine hematologic_cancer GAP_HIGH 0.1502 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in hematologic_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) ibuprofen refractive_error GAP_HIGH 0.1502 0.18181818181818182 epinephrine High-priority: Binding assay ibuprofen→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.18) estriol malignant_mesothelioma GAP_HIGH 0.1502 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.17) aminophenazone ulcerative_colitis GAP_LOW 0.1502 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs ulcerative_colitis targets. Cross-check aminophenazone pharmacophore against ulcerative_colitis pathway. aminophenazone alopecia_areata GAP_LOW 0.1502 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs alopecia_areata targets. Cross-check aminophenazone pharmacophore against alopecia_areata pathway. doxycycline malignant_mesothelioma GAP_LOW 0.1502 0.1 afatinib Low-priority: Computational docking doxycycline vs malignant_mesothelioma targets. Cross-check doxycycline pharmacophore against malignant_mesothelioma pathway. sodium_lauryl_sulfate azoospermia GAP_LOW 0.1502 0.08333333333333333 amitriptyline Low-priority: Computational docking sodium_lauryl_sulfate vs azoospermia targets. Cross-check sodium_lauryl_sulfate pharmacophore against azoospermia pathway. l-cystine alcohol_dependence GAP_LOW 0.1502 0.0 midazolam Low-priority: Computational docking l-cystine vs alcohol_dependence targets. Cross-check l-cystine pharmacophore against alcohol_dependence pathway. orlistat alcohol_dependence GAP_LOW 0.1502 0.0 midazolam Low-priority: Computational docking orlistat vs alcohol_dependence targets. Cross-check orlistat pharmacophore against alcohol_dependence pathway. succinic_acid alcohol_dependence GAP_LOW 0.1502 0.0 midazolam Low-priority: Computational docking succinic_acid vs alcohol_dependence targets. Cross-check succinic_acid pharmacophore against alcohol_dependence pathway. clozapine obesity GAP_HIGH 0.1501 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in obesity cell model. Expected: similar to oxaprozin (Jaccard=0.50) clozapine vascular_cancer GAP_HIGH 0.1501 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.50) nortriptyline liver_cancer GAP_HIGH 0.1501 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in liver_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) phenprocoumon sarcoma GAP_HIGH 0.1501 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in sarcoma cell model. Expected: similar to warfarin (Jaccard=0.46) l-glutamine testicular_cancer GAP_HIGH 0.1501 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) l-glutamine vaginal_cancer GAP_HIGH 0.1501 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) l-glutamine vulva_cancer GAP_HIGH 0.1501 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) cyclizine azoospermia GAP_HIGH 0.1501 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in azoospermia cell model. Expected: similar to benzatropine (Jaccard=0.42) lamivudine osteoporosis GAP_HIGH 0.1501 0.4090909090909091 vidarabine High-priority: Binding assay lamivudine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.41) thalidomide polycystic_ovary_syndrome GAP_HIGH 0.1501 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to indomethacin (Jaccard=0.38) thalidomide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1501 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.36) conjugated_estrogens type_2_diabetes_mellitus GAP_HIGH 0.1501 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to estrone (Jaccard=0.33) conjugated_estrogens vitiligo GAP_HIGH 0.1501 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.33) gemcitabine larynx_cancer GAP_HIGH 0.1501 0.3333333333333333 capecitabine High-priority: Binding assay gemcitabine→?; validate in larynx_cancer cell model. Expected: similar to capecitabine (Jaccard=0.33) sulfadiazine hematologic_cancer GAP_HIGH 0.1501 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in hematologic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.33) difenoxin peripheral_nervous_system_neoplasm GAP_HIGH 0.1501 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) adinazolam lung_cancer GAP_HIGH 0.1501 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) adinazolam rectum_cancer GAP_HIGH 0.1501 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) nimodipine allergic_rhinitis GAP_HIGH 0.1501 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in allergic_rhinitis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine atopic_dermatitis GAP_HIGH 0.1501 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in atopic_dermatitis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine breast_cancer GAP_HIGH 0.1501 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in breast_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine colon_cancer GAP_HIGH 0.1501 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in colon_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) tenofovir osteoporosis GAP_HIGH 0.1501 0.2222222222222222 ribavirin High-priority: Binding assay tenofovir→?; validate in osteoporosis cell model. Expected: similar to ribavirin (Jaccard=0.22) zolmitriptan alzheimers_disease GAP_HIGH 0.1501 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in alzheimers_disease cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan parkinsons_disease GAP_HIGH 0.1501 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in parkinsons_disease cell model. Expected: similar to eletriptan (Jaccard=0.18) irbesartan muscle_cancer GAP_HIGH 0.1501 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in muscle_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) epoprostenol melanoma GAP_HIGH 0.1501 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid osteoporosis GAP_LOW 0.1501 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs osteoporosis targets. Cross-check aminolevulinic_acid pharmacophore against osteoporosis pathway. aminolevulinic_acid ovarian_cancer GAP_LOW 0.1501 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs ovarian_cancer targets. Cross-check aminolevulinic_acid pharmacophore against ovarian_cancer pathway. aminolevulinic_acid uterine_cancer GAP_LOW 0.1501 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs uterine_cancer targets. Cross-check aminolevulinic_acid pharmacophore against uterine_cancer pathway. aminophenazone uterine_cancer GAP_LOW 0.1501 0.14285714285714285 etonogestrel Low-priority: Computational docking aminophenazone vs uterine_cancer targets. Cross-check aminophenazone pharmacophore against uterine_cancer pathway. fentanyl prostate_cancer GAP_HIGH 0.15 0.5555555555555556 diphenylpyraline High-priority: Binding assay fentanyl→?; validate in prostate_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.56) chlorprothixene hematologic_cancer GAP_HIGH 0.15 0.5333333333333333 flurbiprofen High-priority: Binding assay chlorprothixene→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.53) l-glutamine vascular_cancer GAP_HIGH 0.15 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.44) azatadine gout GAP_HIGH 0.15 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.43) menadione skin_cancer GAP_HIGH 0.15 0.42857142857142855 lenalidomide High-priority: Binding assay menadione→?; validate in skin_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.43) tolmetin primary_biliary_cirrhosis GAP_HIGH 0.15 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.39) enalapril epilepsy_syndrome GAP_HIGH 0.15 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.36) indomethacin attention_deficit_hyperactivity_disorder GAP_HIGH 0.15 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.33) adinazolam liver_cancer GAP_HIGH 0.15 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) choline uterine_fibroid GAP_HIGH 0.15 0.25 diflorasone High-priority: Binding assay choline→?; validate in uterine_fibroid cell model. Expected: similar to diflorasone (Jaccard=0.25) nimodipine bipolar_disorder GAP_HIGH 0.15 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in bipolar_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine pancreatic_cancer GAP_HIGH 0.15 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in pancreatic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) l-arginine hematologic_cancer GAP_HIGH 0.15 0.21428571428571427 pomalidomide High-priority: Binding assay l-arginine→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.21) dinoprostone pharynx_cancer GAP_HIGH 0.15 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) zolmitriptan autistic_disorder GAP_HIGH 0.15 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in autistic_disorder cell model. Expected: similar to eletriptan (Jaccard=0.18) benzthiazide pharynx_cancer GAP_HIGH 0.15 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan lung_cancer GAP_HIGH 0.15 0.16666666666666666 lapatinib High-priority: Binding assay irbesartan→?; validate in lung_cancer cell model. Expected: similar to lapatinib (Jaccard=0.17) irbesartan ocular_cancer GAP_HIGH 0.15 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in ocular_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan rectum_cancer GAP_HIGH 0.15 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in rectum_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) nilvadipine azoospermia GAP_HIGH 0.15 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.17) carboprost_tromethamine osteoarthritis GAP_HIGH 0.15 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in osteoarthritis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol duodenum_cancer GAP_HIGH 0.15 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in duodenum_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol gallbladder_cancer GAP_HIGH 0.15 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in gallbladder_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid sarcoma GAP_LOW 0.15 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs sarcoma targets. Cross-check aminolevulinic_acid pharmacophore against sarcoma pathway. caffeine chronic_kidney_failure GAP_LOW 0.15 0.125 amsacrine Low-priority: Computational docking caffeine vs chronic_kidney_failure targets. Cross-check caffeine pharmacophore against chronic_kidney_failure pathway. imipramine skin_cancer GAP_HIGH 0.1499 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.38) danazol muscle_cancer GAP_HIGH 0.1499 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in muscle_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) conjugated_estrogens rheumatoid_arthritis GAP_HIGH 0.1499 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in rheumatoid_arthritis cell model. Expected: similar to estrone (Jaccard=0.33) flurazepam parkinsons_disease GAP_HIGH 0.1499 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in parkinsons_disease cell model. Expected: similar to midazolam (Jaccard=0.33) dasatinib ankylosing_spondylitis GAP_HIGH 0.1499 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.32) diethylpropion atherosclerosis GAP_HIGH 0.1499 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) nimodipine endogenous_depression GAP_HIGH 0.1499 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in endogenous_depression cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine psoriasis GAP_HIGH 0.1499 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in psoriasis cell model. Expected: similar to ifenprodil (Jaccard=0.23) tofisopam salivary_gland_cancer GAP_HIGH 0.1499 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) mephentermine esophageal_cancer GAP_HIGH 0.1499 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) acenocoumarol leprosy GAP_HIGH 0.1499 0.1951219512195122 phensuximide High-priority: Binding assay acenocoumarol→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.20) irbesartan liver_cancer GAP_HIGH 0.1499 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in liver_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) oxyphenonium azoospermia GAP_HIGH 0.1499 0.16666666666666666 indecainide High-priority: Binding assay oxyphenonium→?; validate in azoospermia cell model. Expected: similar to indecainide (Jaccard=0.17) carboprost_tromethamine head_and_neck_cancer GAP_LOW 0.1499 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs head_and_neck_cancer targets. Cross-check carboprost_tromethamine pharmacophore against head_and_neck_cancer pathway. sodium_lauryl_sulfate migraine GAP_LOW 0.1499 0.1111111111111111 olanzapine Low-priority: Computational docking sodium_lauryl_sulfate vs migraine targets. Cross-check sodium_lauryl_sulfate pharmacophore against migraine pathway. buclizine barretts_esophagus GAP_LOW 0.1499 0.0 pantoprazole Low-priority: Computational docking buclizine vs barretts_esophagus targets. Cross-check buclizine pharmacophore against barretts_esophagus pathway. fosphenytoin barretts_esophagus GAP_LOW 0.1499 0.0 pantoprazole Low-priority: Computational docking fosphenytoin vs barretts_esophagus targets. Cross-check fosphenytoin pharmacophore against barretts_esophagus pathway. phenelzine barretts_esophagus GAP_LOW 0.1499 0.0 pantoprazole Low-priority: Computational docking phenelzine vs barretts_esophagus targets. Cross-check phenelzine pharmacophore against barretts_esophagus pathway. phenindamine barretts_esophagus GAP_LOW 0.1499 0.0 pantoprazole Low-priority: Computational docking phenindamine vs barretts_esophagus targets. Cross-check phenindamine pharmacophore against barretts_esophagus pathway. phentermine barretts_esophagus GAP_LOW 0.1499 0.0 pantoprazole Low-priority: Computational docking phentermine vs barretts_esophagus targets. Cross-check phentermine pharmacophore against barretts_esophagus pathway. diphenhydramine schizophrenia GAP_HIGH 0.1498 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in schizophrenia cell model. Expected: similar to naftifine (Jaccard=0.63) mequitazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1498 0.5 nefazodone High-priority: Binding assay mequitazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nefazodone (Jaccard=0.50) nortriptyline attention_deficit_hyperactivity_disorder GAP_HIGH 0.1498 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to doxepin (Jaccard=0.50) bepridil germ_cell_cancer GAP_HIGH 0.1498 0.4444444444444444 tamoxifen High-priority: Binding assay bepridil→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.44) azatadine coronary_artery_disease GAP_HIGH 0.1498 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in coronary_artery_disease cell model. Expected: similar to temazepam (Jaccard=0.43) azatadine hematologic_cancer GAP_HIGH 0.1498 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine narcolepsy GAP_HIGH 0.1498 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in narcolepsy cell model. Expected: similar to temazepam (Jaccard=0.43) ifenprodil stomach_cancer GAP_HIGH 0.1498 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in stomach_cancer cell model. Expected: similar to fentanyl (Jaccard=0.41) thalidomide conduct_disorder GAP_HIGH 0.1498 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.36) anileridine ankylosing_spondylitis GAP_HIGH 0.1498 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) drostanolone brain_cancer GAP_HIGH 0.1498 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in brain_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) ethylmorphine vitiligo GAP_HIGH 0.1498 0.3333333333333333 doxapram High-priority: Binding assay ethylmorphine→?; validate in vitiligo cell model. Expected: similar to doxapram (Jaccard=0.33) etonogestrel hypertension GAP_HIGH 0.1498 0.3333333333333333 estrone High-priority: Binding assay etonogestrel→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.33) flurazepam amyotrophic_lateral_sclerosis GAP_HIGH 0.1498 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to midazolam (Jaccard=0.33) flurazepam nicotine_dependence GAP_HIGH 0.1498 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in nicotine_dependence cell model. Expected: similar to midazolam (Jaccard=0.33) salbutamol osteoarthritis GAP_HIGH 0.1498 0.3333333333333333 levonordefrin High-priority: Binding assay salbutamol→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.33) proparacaine epilepsy_syndrome GAP_HIGH 0.1498 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in epilepsy_syndrome cell model. Expected: similar to phenmetrazine (Jaccard=0.29) doxapram penile_cancer GAP_HIGH 0.1498 0.23529411764705882 phenylbutazone High-priority: Binding assay doxapram→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) nimodipine migraine GAP_HIGH 0.1498 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in migraine cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine multiple_sclerosis GAP_HIGH 0.1498 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in multiple_sclerosis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine ovarian_cancer GAP_HIGH 0.1498 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in ovarian_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine sarcoma GAP_HIGH 0.1498 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in sarcoma cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine uterine_cancer GAP_HIGH 0.1498 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) sulpiride epilepsy_syndrome GAP_HIGH 0.1498 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.21) amphetamine azoospermia GAP_HIGH 0.1498 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in azoospermia cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) anisindione chronic_kidney_failure GAP_HIGH 0.1498 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in chronic_kidney_failure cell model. Expected: similar to cyamemazine (Jaccard=0.20) colchicine malaria GAP_HIGH 0.1498 0.18181818181818182 caffeine High-priority: Binding assay colchicine→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.18) dinoprostone thyroid_cancer GAP_HIGH 0.1498 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) zolmitriptan attention_deficit_hyperactivity_disorder GAP_HIGH 0.1498 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to eletriptan (Jaccard=0.18) benzthiazide ankylosing_spondylitis GAP_HIGH 0.1498 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.17) gliquidone mediastinal_cancer GAP_HIGH 0.1498 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) propofol melanoma GAP_LOW 0.1498 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs melanoma targets. Cross-check propofol pharmacophore against melanoma pathway. dronedarone pharynx_cancer GAP_LOW 0.1498 0.125 ifenprodil Low-priority: Computational docking dronedarone vs pharynx_cancer targets. Cross-check dronedarone pharmacophore against pharynx_cancer pathway. primidone refractive_error GAP_LOW 0.1498 0.125 chlorphenesin Low-priority: Computational docking primidone vs refractive_error targets. Cross-check primidone pharmacophore against refractive_error pathway. solifenacin esophageal_cancer GAP_LOW 0.1498 0.1 voacamine Low-priority: Computational docking solifenacin vs esophageal_cancer targets. Cross-check solifenacin pharmacophore against esophageal_cancer pathway. alpha-linolenic_acid duodenum_cancer GAP_LOW 0.1498 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs duodenum_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against duodenum_cancer pathway. alpha-linolenic_acid gallbladder_cancer GAP_LOW 0.1498 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs gallbladder_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against gallbladder_cancer pathway. alpha-linolenic_acid melanoma GAP_LOW 0.1498 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs melanoma targets. Cross-check alpha-linolenic_acid pharmacophore against melanoma pathway. pentobarbital dilated_cardiomyopathy GAP_LOW 0.1498 0.058823529411764705 trandolapril Low-priority: Computational docking pentobarbital vs dilated_cardiomyopathy targets. Cross-check pentobarbital pharmacophore against dilated_cardiomyopathy pathway. glipizide leprosy GAP_LOW 0.1498 0.037037037037037035 sulfapyridine Low-priority: Computational docking glipizide vs leprosy targets. Cross-check glipizide pharmacophore against leprosy pathway. diphenhydramine allergic_rhinitis GAP_HIGH 0.1497 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in allergic_rhinitis cell model. Expected: similar to naftifine (Jaccard=0.63) diphenhydramine atopic_dermatitis GAP_HIGH 0.1497 0.6296296296296297 naftifine High-priority: Binding assay diphenhydramine→?; validate in atopic_dermatitis cell model. Expected: similar to naftifine (Jaccard=0.63) l-glutamine uterine_fibroid GAP_HIGH 0.1497 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.44) ifenprodil ulcerative_colitis GAP_HIGH 0.1497 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in ulcerative_colitis cell model. Expected: similar to fentanyl (Jaccard=0.41) imipramine vascular_cancer GAP_HIGH 0.1497 0.375 alvimopan High-priority: Binding assay imipramine→?; validate in vascular_cancer cell model. Expected: similar to alvimopan (Jaccard=0.38) danazol ocular_cancer GAP_HIGH 0.1497 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in ocular_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) thalidomide bipolar_disorder GAP_HIGH 0.1497 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.36) indomethacin conduct_disorder GAP_HIGH 0.1497 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in conduct_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.33) indomethacin panic_disorder GAP_HIGH 0.1497 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in panic_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.33) indomethacin schizophrenia GAP_HIGH 0.1497 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in schizophrenia cell model. Expected: similar to ketoprofen (Jaccard=0.33) clonazepam atherosclerosis GAP_HIGH 0.1497 0.3235294117647059 flurbiprofen High-priority: Binding assay clonazepam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.32) terbutaline celiac_disease GAP_HIGH 0.1497 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.31) antipyrine gilles_de_la_tourette_syndrome GAP_HIGH 0.1497 0.27586206896551724 loxapine High-priority: Binding assay antipyrine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.28) choline polycystic_ovary_syndrome GAP_HIGH 0.1497 0.25 vincristine High-priority: Binding assay choline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to vincristine (Jaccard=0.25) choline type_2_diabetes_mellitus GAP_HIGH 0.1497 0.25 vincristine High-priority: Binding assay choline→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to vincristine (Jaccard=0.25) choline vitiligo GAP_HIGH 0.1497 0.25 diflorasone High-priority: Binding assay choline→?; validate in vitiligo cell model. Expected: similar to diflorasone (Jaccard=0.25) moexipril glaucoma GAP_HIGH 0.1497 0.2222222222222222 sodium_lauryl_sulfate High-priority: Binding assay moexipril→?; validate in glaucoma cell model. Expected: similar to sodium_lauryl_sulfate (Jaccard=0.22) l-asparagine systemic_scleroderma GAP_HIGH 0.1497 0.2 penicillamine High-priority: Binding assay l-asparagine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.20) latanoprost metabolic_syndrome_x GAP_HIGH 0.1497 0.2 azatadine High-priority: Binding assay latanoprost→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.20) vorinostat gout GAP_HIGH 0.1497 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in gout cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) benzthiazide thyroid_cancer GAP_HIGH 0.1497 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan peripheral_nervous_system_neoplasm GAP_HIGH 0.1497 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan urinary_bladder_cancer GAP_HIGH 0.1497 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in urinary_bladder_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) nicardipine penile_cancer GAP_HIGH 0.1497 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in penile_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) pentobarbital muscle_cancer GAP_HIGH 0.1497 0.16666666666666666 azelastine High-priority: Binding assay pentobarbital→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.17) epoprostenol sclerosing_cholangitis GAP_HIGH 0.1497 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone thymus_cancer GAP_HIGH 0.1497 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) doxycycline hematologic_cancer GAP_LOW 0.1497 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs hematologic_cancer targets. Cross-check doxycycline pharmacophore against hematologic_cancer pathway. doxycycline narcolepsy GAP_LOW 0.1497 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs narcolepsy targets. Cross-check doxycycline pharmacophore against narcolepsy pathway. alpha-linolenic_acid head_and_neck_cancer GAP_LOW 0.1497 0.0625 procarbazine Low-priority: Computational docking alpha-linolenic_acid vs head_and_neck_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against head_and_neck_cancer pathway. alpha-linolenic_acid malignant_glioma GAP_LOW 0.1497 0.0625 procarbazine Low-priority: Computational docking alpha-linolenic_acid vs malignant_glioma targets. Cross-check alpha-linolenic_acid pharmacophore against malignant_glioma pathway. solifenacin leprosy GAP_LOW 0.1497 0.023809523809523808 phensuximide Low-priority: Computational docking solifenacin vs leprosy targets. Cross-check solifenacin pharmacophore against leprosy pathway. flurbiprofen duodenum_cancer GAP_HIGH 0.1496 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen gallbladder_cancer GAP_HIGH 0.1496 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) loxapine kidney_cancer GAP_HIGH 0.1496 0.46153846153846156 quinacrine High-priority: Binding assay loxapine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.46) ifenprodil osteoporosis GAP_HIGH 0.1496 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in osteoporosis cell model. Expected: similar to fentanyl (Jaccard=0.41) lamivudine osteoarthritis GAP_HIGH 0.1496 0.4090909090909091 vidarabine High-priority: Binding assay lamivudine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.41) thalidomide psoriatic_arthritis GAP_HIGH 0.1496 0.375 indomethacin High-priority: Binding assay thalidomide→?; validate in psoriatic_arthritis cell model. Expected: similar to indomethacin (Jaccard=0.38) benzatropine gilles_de_la_tourette_syndrome GAP_HIGH 0.1496 0.3684210526315789 pheniramine High-priority: Binding assay benzatropine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to pheniramine (Jaccard=0.37) thalidomide endogenous_depression GAP_HIGH 0.1496 0.36363636363636365 l-arginine High-priority: Binding assay thalidomide→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.36) acenocoumarol membranous_glomerulonephritis GAP_HIGH 0.1496 0.3333333333333333 chlorprothixene High-priority: Binding assay acenocoumarol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.33) conjugated_estrogens psoriatic_arthritis GAP_HIGH 0.1496 0.3333333333333333 estrone High-priority: Binding assay conjugated_estrogens→?; validate in psoriatic_arthritis cell model. Expected: similar to estrone (Jaccard=0.33) indomethacin atopic_dermatitis GAP_HIGH 0.1496 0.3333333333333333 montelukast High-priority: Binding assay indomethacin→?; validate in atopic_dermatitis cell model. Expected: similar to montelukast (Jaccard=0.33) indomethacin hypertension GAP_HIGH 0.1496 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in hypertension cell model. Expected: similar to ketoprofen (Jaccard=0.33) methadyl_acetate gilles_de_la_tourette_syndrome GAP_HIGH 0.1496 0.3333333333333333 isopropamide High-priority: Binding assay methadyl_acetate→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.33) cladribine psoriatic_arthritis GAP_HIGH 0.1496 0.32 glucosamine High-priority: Binding assay cladribine→?; validate in psoriatic_arthritis cell model. Expected: similar to glucosamine (Jaccard=0.32) practolol testicular_cancer GAP_HIGH 0.1496 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in testicular_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol vaginal_cancer GAP_HIGH 0.1496 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in vaginal_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) practolol vulva_cancer GAP_HIGH 0.1496 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in vulva_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) codeine autistic_disorder GAP_HIGH 0.1496 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in autistic_disorder cell model. Expected: similar to doxapram (Jaccard=0.27) disopyramide type_1_diabetes_mellitus GAP_HIGH 0.1496 0.25 benzatropine High-priority: Binding assay disopyramide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.25) tolbutamide restless_legs_syndrome GAP_HIGH 0.1496 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in restless_legs_syndrome cell model. Expected: similar to telmisartan (Jaccard=0.25) tolbutamide type_2_diabetes_mellitus GAP_HIGH 0.1496 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to telmisartan (Jaccard=0.25) glucosamine leprosy GAP_HIGH 0.1496 0.2222222222222222 pomalidomide High-priority: Binding assay glucosamine→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.22) tenofovir osteoarthritis GAP_HIGH 0.1496 0.2222222222222222 ribavirin High-priority: Binding assay tenofovir→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.22) tofisopam ocular_cancer GAP_HIGH 0.1496 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) tofisopam rectum_cancer GAP_HIGH 0.1496 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in rectum_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) captopril germ_cell_cancer GAP_HIGH 0.1496 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) pentobarbital skin_cancer GAP_HIGH 0.1496 0.17391304347826086 methdilazine High-priority: Binding assay pentobarbital→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.17) carboprost_tromethamine systemic_scleroderma GAP_HIGH 0.1496 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid osteoarthritis GAP_LOW 0.1496 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs osteoarthritis targets. Cross-check aminolevulinic_acid pharmacophore against osteoarthritis pathway. aminolevulinic_acid skin_cancer GAP_LOW 0.1496 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs skin_cancer targets. Cross-check aminolevulinic_acid pharmacophore against skin_cancer pathway. flutamide head_and_neck_cancer GAP_LOW 0.1496 0.14285714285714285 epirubicin Low-priority: Computational docking flutamide vs head_and_neck_cancer targets. Cross-check flutamide pharmacophore against head_and_neck_cancer pathway. flutamide malignant_glioma GAP_LOW 0.1496 0.14285714285714285 epirubicin Low-priority: Computational docking flutamide vs malignant_glioma targets. Cross-check flutamide pharmacophore against malignant_glioma pathway. doxycycline meningioma GAP_LOW 0.1496 0.1 afatinib Low-priority: Computational docking doxycycline vs meningioma targets. Cross-check doxycycline pharmacophore against meningioma pathway. penicillamine focal_segmental_glomerulosclerosis GAP_LOW 0.1496 0.08 calcium_acetate Low-priority: Computational docking penicillamine vs focal_segmental_glomerulosclerosis targets. Cross-check penicillamine pharmacophore against focal_segmental_glomerulosclerosis pathway. fentanyl hematologic_cancer GAP_HIGH 0.1495 0.5555555555555556 diphenylpyraline High-priority: Binding assay fentanyl→?; validate in hematologic_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.56) clozapine type_2_diabetes_mellitus GAP_HIGH 0.1495 0.5 oxaprozin High-priority: Binding assay clozapine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to oxaprozin (Jaccard=0.50) nortriptyline panic_disorder GAP_HIGH 0.1495 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in panic_disorder cell model. Expected: similar to doxepin (Jaccard=0.50) pargyline ovarian_cancer GAP_HIGH 0.1495 0.4375 phenylpropanolamine High-priority: Binding assay pargyline→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.44) bethanidine uterine_cancer GAP_HIGH 0.1495 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in uterine_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) diclofenac chronic_kidney_failure GAP_HIGH 0.1495 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.38) clobazam crohns_disease GAP_HIGH 0.1495 0.38095238095238093 methdilazine High-priority: Binding assay clobazam→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.38) etonogestrel migraine GAP_HIGH 0.1495 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in migraine cell model. Expected: similar to spironolactone (Jaccard=0.33) indomethacin bipolar_disorder GAP_HIGH 0.1495 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in bipolar_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.33) phenindamine chronic_kidney_failure GAP_HIGH 0.1495 0.3333333333333333 mirtazapine High-priority: Binding assay phenindamine→?; validate in chronic_kidney_failure cell model. Expected: similar to mirtazapine (Jaccard=0.33) tolbutamide vitiligo GAP_HIGH 0.1495 0.25 telmisartan High-priority: Binding assay tolbutamide→?; validate in vitiligo cell model. Expected: similar to telmisartan (Jaccard=0.25) methsuximide malignant_mesothelioma GAP_HIGH 0.1495 0.21875 chlorcyclizine High-priority: Binding assay methsuximide→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) ethotoin alcohol_dependence GAP_HIGH 0.1495 0.2127659574468085 mazindol High-priority: Binding assay ethotoin→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.21) zolmitriptan asthma GAP_HIGH 0.1495 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in asthma cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan panic_disorder GAP_HIGH 0.1495 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in panic_disorder cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan schizophrenia GAP_HIGH 0.1495 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in schizophrenia cell model. Expected: similar to eletriptan (Jaccard=0.18) flutamide creutzfeldt-jakob_disease GAP_HIGH 0.1495 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to butenafine (Jaccard=0.17) losartan head_and_neck_cancer GAP_HIGH 0.1495 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan malignant_glioma GAP_HIGH 0.1495 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.17) aminolevulinic_acid testicular_cancer GAP_LOW 0.1495 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs testicular_cancer targets. Cross-check aminolevulinic_acid pharmacophore against testicular_cancer pathway. aminolevulinic_acid vaginal_cancer GAP_LOW 0.1495 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs vaginal_cancer targets. Cross-check aminolevulinic_acid pharmacophore against vaginal_cancer pathway. aminolevulinic_acid vulva_cancer GAP_LOW 0.1495 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs vulva_cancer targets. Cross-check aminolevulinic_acid pharmacophore against vulva_cancer pathway. dinoprost_tromethamine type_2_diabetes_mellitus GAP_LOW 0.1495 0.14285714285714285 methotrexate Low-priority: Computational docking dinoprost_tromethamine vs type_2_diabetes_mellitus targets. Cross-check dinoprost_tromethamine pharmacophore against type_2_diabetes_mellitus pathway. flutamide kidney_cancer GAP_LOW 0.1495 0.14285714285714285 docetaxel Low-priority: Computational docking flutamide vs kidney_cancer targets. Cross-check flutamide pharmacophore against kidney_cancer pathway. dronedarone chronic_obstructive_pulmonary_disease GAP_LOW 0.1495 0.125 ifenprodil Low-priority: Computational docking dronedarone vs chronic_obstructive_pulmonary_disease targets. Cross-check dronedarone pharmacophore against chronic_obstructive_pulmonary_disease pathway. dronedarone epilepsy_syndrome GAP_LOW 0.1495 0.125 ifenprodil Low-priority: Computational docking dronedarone vs epilepsy_syndrome targets. Cross-check dronedarone pharmacophore against epilepsy_syndrome pathway. epoprostenol esophageal_cancer GAP_LOW 0.1495 0.125 exemestane Low-priority: Computational docking epoprostenol vs esophageal_cancer targets. Cross-check epoprostenol pharmacophore against esophageal_cancer pathway. thiamylal hematologic_cancer GAP_LOW 0.1495 0.12195121951219512 phensuximide Low-priority: Computational docking thiamylal vs hematologic_cancer targets. Cross-check thiamylal pharmacophore against hematologic_cancer pathway. riboflavin larynx_cancer GAP_LOW 0.1495 0.1 epirubicin Low-priority: Computational docking riboflavin vs larynx_cancer targets. Cross-check riboflavin pharmacophore against larynx_cancer pathway. penicillamine celiac_disease GAP_LOW 0.1495 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs celiac_disease targets. Cross-check penicillamine pharmacophore against celiac_disease pathway. alpha-linolenic_acid alopecia_areata GAP_LOW 0.1495 0.05 medrysone Low-priority: Computational docking alpha-linolenic_acid vs alopecia_areata targets. Cross-check alpha-linolenic_acid pharmacophore against alopecia_areata pathway. betamethasone rheumatoid_arthritis GAP_HIGH 0.1494 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in rheumatoid_arthritis cell model. Expected: similar to amcinonide (Jaccard=0.59) aminosalicylic_acid thyroid_cancer GAP_HIGH 0.1494 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in thyroid_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) mequitazine muscle_cancer GAP_HIGH 0.1494 0.5 nefazodone High-priority: Binding assay mequitazine→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.50) nortriptyline stomach_cancer GAP_HIGH 0.1494 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in stomach_cancer cell model. Expected: similar to doxepin (Jaccard=0.50) phenprocoumon vascular_cancer GAP_HIGH 0.1494 0.46153846153846156 warfarin High-priority: Binding assay phenprocoumon→?; validate in vascular_cancer cell model. Expected: similar to warfarin (Jaccard=0.46) bethanidine sarcoma GAP_HIGH 0.1494 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in sarcoma cell model. Expected: similar to nateglinide (Jaccard=0.43) bromodiphenhydramine duodenum_cancer GAP_HIGH 0.1494 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in duodenum_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) bromodiphenhydramine gallbladder_cancer GAP_HIGH 0.1494 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in gallbladder_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) clonazepam gout GAP_HIGH 0.1494 0.4 diazepam High-priority: Binding assay clonazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.40) oxazepam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1494 0.38461538461538464 azatadine High-priority: Binding assay oxazepam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.38) danazol peripheral_nervous_system_neoplasm GAP_HIGH 0.1494 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to spironolactone (Jaccard=0.36) chlorprothixene leprosy GAP_HIGH 0.1494 0.3409090909090909 phensuximide High-priority: Binding assay chlorprothixene→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.34) etonogestrel sarcoma GAP_HIGH 0.1494 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in sarcoma cell model. Expected: similar to spironolactone (Jaccard=0.33) indomethacin endogenous_depression GAP_HIGH 0.1494 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in endogenous_depression cell model. Expected: similar to ketoprofen (Jaccard=0.33) difenoxin ulcerative_colitis GAP_HIGH 0.1494 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) difenoxin uterine_cancer GAP_HIGH 0.1494 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in uterine_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) tamsulosin ankylosing_spondylitis GAP_HIGH 0.1494 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.32) sulfanilamide prostate_cancer GAP_HIGH 0.1494 0.3125 chloroprocaine High-priority: Binding assay sulfanilamide→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.31) practolol vascular_cancer GAP_HIGH 0.1494 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in vascular_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.31) aspartame membranous_glomerulonephritis GAP_HIGH 0.1494 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.29) codeine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1494 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to doxapram (Jaccard=0.27) metaraminol uterine_cancer GAP_HIGH 0.1494 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in uterine_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) nimodipine skin_cancer GAP_HIGH 0.1494 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) sulpiride muscle_cancer GAP_HIGH 0.1494 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.21) isradipine melanoma GAP_HIGH 0.1494 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in melanoma cell model. Expected: similar to desoximetasone (Jaccard=0.20) nilvadipine vitiligo GAP_HIGH 0.1494 0.2 pimozide High-priority: Binding assay nilvadipine→?; validate in vitiligo cell model. Expected: similar to pimozide (Jaccard=0.20) ranolazine thyroid_cancer GAP_HIGH 0.1494 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) zolmitriptan allergic_rhinitis GAP_HIGH 0.1494 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in allergic_rhinitis cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan atopic_dermatitis GAP_HIGH 0.1494 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in atopic_dermatitis cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan breast_cancer GAP_HIGH 0.1494 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in breast_cancer cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan colon_cancer GAP_HIGH 0.1494 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in colon_cancer cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan hypertension GAP_HIGH 0.1494 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in hypertension cell model. Expected: similar to eletriptan (Jaccard=0.18) aminoglutethimide uterine_cancer GAP_HIGH 0.1494 0.16666666666666666 clozapine High-priority: Binding assay aminoglutethimide→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.17) benzthiazide pancreatitis GAP_HIGH 0.1494 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.17) nicardipine malignant_mesothelioma GAP_HIGH 0.1494 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.17) aminophenazone idiopathic_pulmonary_fibrosis GAP_LOW 0.1494 0.125 dienestrol Low-priority: Computational docking aminophenazone vs idiopathic_pulmonary_fibrosis targets. Cross-check aminophenazone pharmacophore against idiopathic_pulmonary_fibrosis pathway. alpha-linolenic_acid sclerosing_cholangitis GAP_LOW 0.1494 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs sclerosing_cholangitis targets. Cross-check alpha-linolenic_acid pharmacophore against sclerosing_cholangitis pathway. dronedarone glaucoma GAP_LOW 0.1494 0.08333333333333333 bevantolol Low-priority: Computational docking dronedarone vs glaucoma targets. Cross-check dronedarone pharmacophore against glaucoma pathway. drostanolone hypothyroidism GAP_LOW 0.1494 0.058823529411764705 methimazole Low-priority: Computational docking drostanolone vs hypothyroidism targets. Cross-check drostanolone pharmacophore against hypothyroidism pathway. carprofen leprosy GAP_LOW 0.1494 0.038461538461538464 sulfapyridine Low-priority: Computational docking carprofen vs leprosy targets. Cross-check carprofen pharmacophore against leprosy pathway. agomelatine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking agomelatine vs hypothyroidism targets. Cross-check agomelatine pharmacophore against hypothyroidism pathway. benzocaine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking benzocaine vs hypothyroidism targets. Cross-check benzocaine pharmacophore against hypothyroidism pathway. cinchocaine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking cinchocaine vs hypothyroidism targets. Cross-check cinchocaine pharmacophore against hypothyroidism pathway. clonazepam hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking clonazepam vs hypothyroidism targets. Cross-check clonazepam pharmacophore against hypothyroidism pathway. clotiazepam hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking clotiazepam vs hypothyroidism targets. Cross-check clotiazepam pharmacophore against hypothyroidism pathway. dobutamine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking dobutamine vs hypothyroidism targets. Cross-check dobutamine pharmacophore against hypothyroidism pathway. gemcitabine barretts_esophagus GAP_LOW 0.1494 0.0 pantoprazole Low-priority: Computational docking gemcitabine vs barretts_esophagus targets. Cross-check gemcitabine pharmacophore against barretts_esophagus pathway. isoetarine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking isoetarine vs hypothyroidism targets. Cross-check isoetarine pharmacophore against hypothyroidism pathway. isoprenaline barretts_esophagus GAP_LOW 0.1494 0.0 pantoprazole Low-priority: Computational docking isoprenaline vs barretts_esophagus targets. Cross-check isoprenaline pharmacophore against barretts_esophagus pathway. l-glutamine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking l-glutamine vs hypothyroidism targets. Cross-check l-glutamine pharmacophore against hypothyroidism pathway. l-tryptophan barretts_esophagus GAP_LOW 0.1494 0.0 pantoprazole Low-priority: Computational docking l-tryptophan vs barretts_esophagus targets. Cross-check l-tryptophan pharmacophore against barretts_esophagus pathway. lenalidomide hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking lenalidomide vs hypothyroidism targets. Cross-check lenalidomide pharmacophore against hypothyroidism pathway. mephentermine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking mephentermine vs hypothyroidism targets. Cross-check mephentermine pharmacophore against hypothyroidism pathway. nelarabine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking nelarabine vs hypothyroidism targets. Cross-check nelarabine pharmacophore against hypothyroidism pathway. pargyline barretts_esophagus GAP_LOW 0.1494 0.0 pantoprazole Low-priority: Computational docking pargyline vs barretts_esophagus targets. Cross-check pargyline pharmacophore against barretts_esophagus pathway. proparacaine hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking proparacaine vs hypothyroidism targets. Cross-check proparacaine pharmacophore against hypothyroidism pathway. sorafenib barretts_esophagus GAP_LOW 0.1494 0.0 pantoprazole Low-priority: Computational docking sorafenib vs barretts_esophagus targets. Cross-check sorafenib pharmacophore against barretts_esophagus pathway. sulfanilamide hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking sulfanilamide vs hypothyroidism targets. Cross-check sulfanilamide pharmacophore against hypothyroidism pathway. tenofovir hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking tenofovir vs hypothyroidism targets. Cross-check tenofovir pharmacophore against hypothyroidism pathway. zolpidem hypothyroidism GAP_LOW 0.1494 0.0 methimazole Low-priority: Computational docking zolpidem vs hypothyroidism targets. Cross-check zolpidem pharmacophore against hypothyroidism pathway. gefitinib sclerosing_cholangitis GAP_HIGH 0.1493 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to vandetanib (Jaccard=0.61) pheniramine hematologic_cancer GAP_HIGH 0.1493 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in hematologic_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) nortriptyline pancreatic_cancer GAP_HIGH 0.1493 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in pancreatic_cancer cell model. Expected: similar to doxepin (Jaccard=0.50) ethinyl_estradiol coronary_artery_disease GAP_HIGH 0.1493 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.47) erlotinib lung_cancer GAP_HIGH 0.1493 0.4666666666666667 afatinib High-priority: Binding assay erlotinib→?; validate in lung_cancer cell model. Expected: similar to afatinib (Jaccard=0.47) l-glutamine polycystic_ovary_syndrome GAP_HIGH 0.1493 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.44) ifenprodil systemic_lupus_erythematosus GAP_HIGH 0.1493 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to fentanyl (Jaccard=0.41) flurazepam asthma GAP_HIGH 0.1493 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in asthma cell model. Expected: similar to midazolam (Jaccard=0.33) indomethacin migraine GAP_HIGH 0.1493 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in migraine cell model. Expected: similar to ketoprofen (Jaccard=0.33) indomethacin multiple_sclerosis GAP_HIGH 0.1493 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in multiple_sclerosis cell model. Expected: similar to ketoprofen (Jaccard=0.33) tripelennamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1493 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to alimemazine (Jaccard=0.33) adinazolam stomach_cancer GAP_HIGH 0.1493 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) nimodipine osteoarthritis GAP_HIGH 0.1493 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in osteoarthritis cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine vaginal_cancer GAP_HIGH 0.1493 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in vaginal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) nimodipine vulva_cancer GAP_HIGH 0.1493 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) tofisopam peripheral_nervous_system_neoplasm GAP_HIGH 0.1493 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) colchicine esophageal_cancer GAP_HIGH 0.1493 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in esophageal_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) dinoprostone muscle_cancer GAP_HIGH 0.1493 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) vapreotide azoospermia GAP_HIGH 0.1493 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in azoospermia cell model. Expected: similar to deferasirox (Jaccard=0.18) zolmitriptan bipolar_disorder GAP_HIGH 0.1493 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in bipolar_disorder cell model. Expected: similar to eletriptan (Jaccard=0.18) candesartan coronary_artery_disease GAP_HIGH 0.1493 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in coronary_artery_disease cell model. Expected: similar to menadione (Jaccard=0.17) candesartan hematologic_cancer GAP_HIGH 0.1493 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in hematologic_cancer cell model. Expected: similar to menadione (Jaccard=0.17) aminolevulinic_acid vascular_cancer GAP_LOW 0.1493 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs vascular_cancer targets. Cross-check aminolevulinic_acid pharmacophore against vascular_cancer pathway. dinoprost_tromethamine crohns_disease GAP_LOW 0.1493 0.125 sorafenib Low-priority: Computational docking dinoprost_tromethamine vs crohns_disease targets. Cross-check dinoprost_tromethamine pharmacophore against crohns_disease pathway. betamethasone psoriatic_arthritis GAP_HIGH 0.1492 0.5882352941176471 amcinonide High-priority: Binding assay betamethasone→?; validate in psoriatic_arthritis cell model. Expected: similar to amcinonide (Jaccard=0.59) tamoxifen crohns_disease GAP_HIGH 0.1492 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) fluoxymesterone crohns_disease GAP_HIGH 0.1492 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in crohns_disease cell model. Expected: similar to hydrocortisone (Jaccard=0.52) nortriptyline endogenous_depression GAP_HIGH 0.1492 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in endogenous_depression cell model. Expected: similar to doxepin (Jaccard=0.50) nortriptyline uterine_cancer GAP_HIGH 0.1492 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in uterine_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) nitrazepam asthma GAP_HIGH 0.1492 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in asthma cell model. Expected: similar to midazolam (Jaccard=0.38) flurazepam atopic_dermatitis GAP_HIGH 0.1492 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in atopic_dermatitis cell model. Expected: similar to midazolam (Jaccard=0.33) flurazepam hypertension GAP_HIGH 0.1492 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in hypertension cell model. Expected: similar to midazolam (Jaccard=0.33) tamsulosin vitiligo GAP_HIGH 0.1492 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in vitiligo cell model. Expected: similar to propafenone (Jaccard=0.33) ketazolam mediastinal_cancer GAP_HIGH 0.1492 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.30) adinazolam pancreatic_cancer GAP_HIGH 0.1492 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) proparacaine alzheimers_disease GAP_HIGH 0.1492 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in alzheimers_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine parkinsons_disease GAP_HIGH 0.1492 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in parkinsons_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.29) thalidomide atherosclerosis GAP_HIGH 0.1492 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) norepinephrine crohns_disease GAP_HIGH 0.1492 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in crohns_disease cell model. Expected: similar to droxidopa (Jaccard=0.27) nimodipine testicular_cancer GAP_HIGH 0.1492 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in testicular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) sulpiride alzheimers_disease GAP_HIGH 0.1492 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in alzheimers_disease cell model. Expected: similar to lisinopril (Jaccard=0.21) sulpiride parkinsons_disease GAP_HIGH 0.1492 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in parkinsons_disease cell model. Expected: similar to lisinopril (Jaccard=0.21) zolmitriptan endogenous_depression GAP_HIGH 0.1492 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in endogenous_depression cell model. Expected: similar to eletriptan (Jaccard=0.18) benzthiazide muscle_cancer GAP_HIGH 0.1492 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in muscle_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) irbesartan colon_cancer GAP_HIGH 0.1492 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in colon_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan hypertension GAP_HIGH 0.1492 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in hypertension cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan stomach_cancer GAP_HIGH 0.1492 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in stomach_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) carboprost_tromethamine restless_legs_syndrome GAP_HIGH 0.1492 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol ankylosing_spondylitis GAP_HIGH 0.1492 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in ankylosing_spondylitis cell model. Expected: similar to estrone (Jaccard=0.15) aminoglutethimide gilles_de_la_tourette_syndrome GAP_LOW 0.1492 0.125 azelastine Low-priority: Computational docking aminoglutethimide vs gilles_de_la_tourette_syndrome targets. Cross-check aminoglutethimide pharmacophore against gilles_de_la_tourette_syndrome pathway. dronedarone salivary_gland_cancer GAP_LOW 0.1492 0.125 ifenprodil Low-priority: Computational docking dronedarone vs salivary_gland_cancer targets. Cross-check dronedarone pharmacophore against salivary_gland_cancer pathway. olmesartan acquired_immunodeficiency_syndrome GAP_LOW 0.1492 0.09090909090909091 alvimopan Low-priority: Computational docking olmesartan vs acquired_immunodeficiency_syndrome targets. Cross-check olmesartan pharmacophore against acquired_immunodeficiency_syndrome pathway. alpha-linolenic_acid azoospermia GAP_LOW 0.1492 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs azoospermia targets. Cross-check alpha-linolenic_acid pharmacophore against azoospermia pathway. alpha-linolenic_acid malaria GAP_LOW 0.1492 0.034482758620689655 sulfapyridine Low-priority: Computational docking alpha-linolenic_acid vs malaria targets. Cross-check alpha-linolenic_acid pharmacophore against malaria pathway. orlistat dilated_cardiomyopathy GAP_LOW 0.1492 0.0 hydrocortisone Low-priority: Computational docking orlistat vs dilated_cardiomyopathy targets. Cross-check orlistat pharmacophore against dilated_cardiomyopathy pathway. sodium_lauryl_sulfate dilated_cardiomyopathy GAP_LOW 0.1492 0.0 hydrocortisone Low-priority: Computational docking sodium_lauryl_sulfate vs dilated_cardiomyopathy targets. Cross-check sodium_lauryl_sulfate pharmacophore against dilated_cardiomyopathy pathway. nortriptyline multiple_sclerosis GAP_HIGH 0.1491 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in multiple_sclerosis cell model. Expected: similar to doxepin (Jaccard=0.50) l-glutamine rheumatoid_arthritis GAP_HIGH 0.1491 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.44) nitrazepam atopic_dermatitis GAP_HIGH 0.1491 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in atopic_dermatitis cell model. Expected: similar to midazolam (Jaccard=0.38) nitrazepam colon_cancer GAP_HIGH 0.1491 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in colon_cancer cell model. Expected: similar to midazolam (Jaccard=0.38) anileridine lung_cancer GAP_HIGH 0.1491 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) anileridine rectum_cancer GAP_HIGH 0.1491 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) etonogestrel metabolic_syndrome_x GAP_HIGH 0.1491 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.33) practolol uterine_fibroid GAP_HIGH 0.1491 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in uterine_fibroid cell model. Expected: similar to l-tyrosine (Jaccard=0.31) ketazolam thymus_cancer GAP_HIGH 0.1491 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.30) adinazolam psoriasis GAP_HIGH 0.1491 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in psoriasis cell model. Expected: similar to clozapine (Jaccard=0.29) adinazolam ulcerative_colitis GAP_HIGH 0.1491 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in ulcerative_colitis cell model. Expected: similar to clozapine (Jaccard=0.29) proparacaine autistic_disorder GAP_HIGH 0.1491 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in autistic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine nicotine_dependence GAP_HIGH 0.1491 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in nicotine_dependence cell model. Expected: similar to phenmetrazine (Jaccard=0.29) ephedrine gout GAP_HIGH 0.1491 0.2727272727272727 oxcarbazepine High-priority: Binding assay ephedrine→?; validate in gout cell model. Expected: similar to oxcarbazepine (Jaccard=0.27) gliclazide celiac_disease GAP_HIGH 0.1491 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) codeine asthma GAP_HIGH 0.1491 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in asthma cell model. Expected: similar to doxapram (Jaccard=0.27) codeine breast_cancer GAP_HIGH 0.1491 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in breast_cancer cell model. Expected: similar to doxapram (Jaccard=0.27) codeine schizophrenia GAP_HIGH 0.1491 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in schizophrenia cell model. Expected: similar to doxapram (Jaccard=0.27) nimodipine vascular_cancer GAP_HIGH 0.1491 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in vascular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.23) carvedilol nicotine_dependence GAP_HIGH 0.1491 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) sulpiride amyotrophic_lateral_sclerosis GAP_HIGH 0.1491 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to lisinopril (Jaccard=0.21) sulpiride autistic_disorder GAP_HIGH 0.1491 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.21) sulpiride nicotine_dependence GAP_HIGH 0.1491 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.21) zolmitriptan multiple_sclerosis GAP_HIGH 0.1491 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in multiple_sclerosis cell model. Expected: similar to eletriptan (Jaccard=0.18) zolmitriptan ovarian_cancer GAP_HIGH 0.1491 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in ovarian_cancer cell model. Expected: similar to eletriptan (Jaccard=0.18) benzthiazide lung_cancer GAP_HIGH 0.1491 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide rectum_cancer GAP_HIGH 0.1491 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) estropipate refractive_error GAP_HIGH 0.1491 0.16666666666666666 choline High-priority: Binding assay estropipate→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) irbesartan pancreatic_cancer GAP_HIGH 0.1491 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in pancreatic_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) benzthiazide membranous_glomerulonephritis GAP_LOW 0.1491 0.15 tamsulosin Low-priority: Computational docking benzthiazide vs membranous_glomerulonephritis targets. Cross-check benzthiazide pharmacophore against membranous_glomerulonephritis pathway. ponatinib pagets_disease_of_bone GAP_LOW 0.1491 0.03571428571428571 histamine_phosphate Low-priority: Computational docking ponatinib vs pagets_disease_of_bone targets. Cross-check ponatinib pharmacophore against pagets_disease_of_bone pathway. succinic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1491 0.013888888888888888 adenosine_monophosphate Low-priority: Computational docking succinic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check succinic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. vandetanib polycystic_ovary_syndrome GAP_HIGH 0.149 0.6060606060606061 gefitinib High-priority: Binding assay vandetanib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gefitinib (Jaccard=0.61) methdilazine narcolepsy GAP_HIGH 0.149 0.52 chlorpromazine High-priority: Binding assay methdilazine→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.52) naproxen germ_cell_cancer GAP_HIGH 0.149 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) tolmetin melanoma GAP_HIGH 0.149 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.39) clomipramine leprosy GAP_HIGH 0.149 0.38636363636363635 phensuximide High-priority: Binding assay clomipramine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.39) anileridine liver_cancer GAP_HIGH 0.149 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) floxuridine osteoporosis GAP_HIGH 0.149 0.3333333333333333 vidarabine High-priority: Binding assay floxuridine→?; validate in osteoporosis cell model. Expected: similar to vidarabine (Jaccard=0.33) flurazepam osteoporosis GAP_HIGH 0.149 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in osteoporosis cell model. Expected: similar to midazolam (Jaccard=0.33) levonorgestrel primary_biliary_cirrhosis GAP_HIGH 0.149 0.3333333333333333 progesterone High-priority: Binding assay levonorgestrel→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to progesterone (Jaccard=0.33) tamsulosin rheumatoid_arthritis GAP_HIGH 0.149 0.3333333333333333 propafenone High-priority: Binding assay tamsulosin→?; validate in rheumatoid_arthritis cell model. Expected: similar to propafenone (Jaccard=0.33) tamsulosin pancreatitis GAP_HIGH 0.149 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in pancreatitis cell model. Expected: similar to propranolol (Jaccard=0.32) adinazolam uterine_cancer GAP_HIGH 0.149 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) codeine allergic_rhinitis GAP_HIGH 0.149 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in allergic_rhinitis cell model. Expected: similar to doxapram (Jaccard=0.27) codeine atopic_dermatitis GAP_HIGH 0.149 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in atopic_dermatitis cell model. Expected: similar to doxapram (Jaccard=0.27) codeine colon_cancer GAP_HIGH 0.149 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in colon_cancer cell model. Expected: similar to doxapram (Jaccard=0.27) metaraminol metabolic_syndrome_x GAP_HIGH 0.149 0.25 dihydrocodeine High-priority: Binding assay metaraminol→?; validate in metabolic_syndrome_x cell model. Expected: similar to dihydrocodeine (Jaccard=0.25) doxapram meningioma GAP_HIGH 0.149 0.23529411764705882 phenylbutazone High-priority: Binding assay doxapram→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.24) clofibrate mediastinal_cancer GAP_HIGH 0.149 0.2 warfarin High-priority: Binding assay clofibrate→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) metolazone germ_cell_cancer GAP_HIGH 0.149 0.2 clodronate High-priority: Binding assay metolazone→?; validate in germ_cell_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nicardipine pancreatitis GAP_HIGH 0.149 0.18181818181818182 difenoxin High-priority: Binding assay nicardipine→?; validate in pancreatitis cell model. Expected: similar to difenoxin (Jaccard=0.18) tioguanine larynx_cancer GAP_HIGH 0.149 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in larynx_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) irbesartan ulcerative_colitis GAP_HIGH 0.149 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in ulcerative_colitis cell model. Expected: similar to vinblastine (Jaccard=0.17) isradipine focal_segmental_glomerulosclerosis GAP_HIGH 0.149 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to metolazone (Jaccard=0.17) epoprostenol chronic_obstructive_pulmonary_disease GAP_HIGH 0.149 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid uterine_fibroid GAP_LOW 0.149 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs uterine_fibroid targets. Cross-check aminolevulinic_acid pharmacophore against uterine_fibroid pathway. dronedarone rectum_cancer GAP_LOW 0.149 0.125 ifenprodil Low-priority: Computational docking dronedarone vs rectum_cancer targets. Cross-check dronedarone pharmacophore against rectum_cancer pathway. liothyronine hypothyroidism GAP_LOW 0.149 0.125 methimazole Low-priority: Computational docking liothyronine vs hypothyroidism targets. Cross-check liothyronine pharmacophore against hypothyroidism pathway. oxaprozin ulcerative_colitis GAP_HIGH 0.1489 0.5333333333333333 phenindione High-priority: Binding assay oxaprozin→?; validate in ulcerative_colitis cell model. Expected: similar to phenindione (Jaccard=0.53) bethanidine testicular_cancer GAP_HIGH 0.1489 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in testicular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) bethanidine vaginal_cancer GAP_HIGH 0.1489 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in vaginal_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) bethanidine vulva_cancer GAP_HIGH 0.1489 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in vulva_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) azatadine duodenum_cancer GAP_HIGH 0.1489 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in duodenum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine gallbladder_cancer GAP_HIGH 0.1489 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in gallbladder_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) methotrexate esophageal_cancer GAP_HIGH 0.1489 0.4 fluorouracil High-priority: Binding assay methotrexate→?; validate in esophageal_cancer cell model. Expected: similar to fluorouracil (Jaccard=0.40) tolmetin duodenum_cancer GAP_HIGH 0.1489 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) tolmetin gallbladder_cancer GAP_HIGH 0.1489 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) danazol allergic_rhinitis GAP_HIGH 0.1489 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in allergic_rhinitis cell model. Expected: similar to spironolactone (Jaccard=0.36) drostanolone kidney_cancer GAP_HIGH 0.1489 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in kidney_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) difenoxin skin_cancer GAP_HIGH 0.1489 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in skin_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) tamsulosin salivary_gland_cancer GAP_HIGH 0.1489 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.32) proparacaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1489 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.29) metaraminol vaginal_cancer GAP_HIGH 0.1489 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in vaginal_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) metaraminol vulva_cancer GAP_HIGH 0.1489 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in vulva_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) epinephrine larynx_cancer GAP_HIGH 0.1489 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) sulpiride attention_deficit_hyperactivity_disorder GAP_HIGH 0.1489 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.21) clofibrate thymus_cancer GAP_HIGH 0.1489 0.2 warfarin High-priority: Binding assay clofibrate→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) ibuprofen narcolepsy GAP_HIGH 0.1489 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in narcolepsy cell model. Expected: similar to ketoprofen (Jaccard=0.20) ranolazine muscle_cancer GAP_HIGH 0.1489 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in muscle_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) benzthiazide liver_cancer GAP_HIGH 0.1489 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) flutamide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1489 0.16666666666666666 medroxyprogesterone_acetate High-priority: Binding assay flutamide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.17) irbesartan ovarian_cancer GAP_HIGH 0.1489 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in ovarian_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan uterine_cancer GAP_HIGH 0.1489 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in uterine_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) nilvadipine penile_cancer GAP_HIGH 0.1489 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in penile_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) carboprost_tromethamine rheumatoid_arthritis GAP_HIGH 0.1489 0.15384615384615385 estrone High-priority: Binding assay carboprost_tromethamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to estrone (Jaccard=0.15) propofol thyroid_cancer GAP_LOW 0.1489 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs thyroid_cancer targets. Cross-check propofol pharmacophore against thyroid_cancer pathway. dinoprost_tromethamine idiopathic_pulmonary_fibrosis GAP_LOW 0.1489 0.125 prednicarbate Low-priority: Computational docking dinoprost_tromethamine vs idiopathic_pulmonary_fibrosis targets. Cross-check dinoprost_tromethamine pharmacophore against idiopathic_pulmonary_fibrosis pathway. dronedarone ocular_cancer GAP_LOW 0.1489 0.125 ifenprodil Low-priority: Computational docking dronedarone vs ocular_cancer targets. Cross-check dronedarone pharmacophore against ocular_cancer pathway. talbutal alopecia_areata GAP_LOW 0.1489 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs alopecia_areata targets. Cross-check talbutal pharmacophore against alopecia_areata pathway. dextrothyroxine chronic_kidney_failure GAP_LOW 0.1489 0.07142857142857142 mefenamic_acid Low-priority: Computational docking dextrothyroxine vs chronic_kidney_failure targets. Cross-check dextrothyroxine pharmacophore against chronic_kidney_failure pathway. amitriptyline barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking amitriptyline vs barretts_esophagus targets. Cross-check amitriptyline pharmacophore against barretts_esophagus pathway. bepridil barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking bepridil vs barretts_esophagus targets. Cross-check bepridil pharmacophore against barretts_esophagus pathway. diethylstilbestrol barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking diethylstilbestrol vs barretts_esophagus targets. Cross-check diethylstilbestrol pharmacophore against barretts_esophagus pathway. megestrol_acetate barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking megestrol_acetate vs barretts_esophagus targets. Cross-check megestrol_acetate pharmacophore against barretts_esophagus pathway. norethindrone barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking norethindrone vs barretts_esophagus targets. Cross-check norethindrone pharmacophore against barretts_esophagus pathway. oxaprozin barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking oxaprozin vs barretts_esophagus targets. Cross-check oxaprozin pharmacophore against barretts_esophagus pathway. vindesine barretts_esophagus GAP_LOW 0.1489 0.0 pantoprazole Low-priority: Computational docking vindesine vs barretts_esophagus targets. Cross-check vindesine pharmacophore against barretts_esophagus pathway. benzphetamine thyroid_cancer GAP_HIGH 0.1488 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) l-glutamine psoriatic_arthritis GAP_HIGH 0.1488 0.43617021276595747 l-serine High-priority: Binding assay l-glutamine→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.44) clobazam gout GAP_HIGH 0.1488 0.38095238095238093 methdilazine High-priority: Binding assay clobazam→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.38) aceprometazine systemic_lupus_erythematosus GAP_HIGH 0.1488 0.375 promethazine High-priority: Binding assay aceprometazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to promethazine (Jaccard=0.38) cortisone_acetate esophageal_cancer GAP_HIGH 0.1488 0.375 prednisone High-priority: Binding assay cortisone_acetate→?; validate in esophageal_cancer cell model. Expected: similar to prednisone (Jaccard=0.38) nitrazepam ovarian_cancer GAP_HIGH 0.1488 0.375 midazolam High-priority: Binding assay nitrazepam→?; validate in ovarian_cancer cell model. Expected: similar to midazolam (Jaccard=0.38) anileridine peripheral_nervous_system_neoplasm GAP_HIGH 0.1488 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.36) enalapril panic_disorder GAP_HIGH 0.1488 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.36) enalapril schizophrenia GAP_HIGH 0.1488 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.36) acenocoumarol pancreatitis GAP_HIGH 0.1488 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in pancreatitis cell model. Expected: similar to fosphenytoin (Jaccard=0.35) difenoxin vaginal_cancer GAP_HIGH 0.1488 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in vaginal_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) difenoxin vulva_cancer GAP_HIGH 0.1488 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in vulva_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) practolol vitiligo GAP_HIGH 0.1488 0.3076923076923077 l-tyrosine High-priority: Binding assay practolol→?; validate in vitiligo cell model. Expected: similar to l-tyrosine (Jaccard=0.31) ethotoin membranous_glomerulonephritis GAP_HIGH 0.1488 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.30) codeine ovarian_cancer GAP_HIGH 0.1488 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in ovarian_cancer cell model. Expected: similar to doxapram (Jaccard=0.27) codeine psoriasis GAP_HIGH 0.1488 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in psoriasis cell model. Expected: similar to doxapram (Jaccard=0.27) metaraminol testicular_cancer GAP_HIGH 0.1488 0.25 nefazodone High-priority: Binding assay metaraminol→?; validate in testicular_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) tamsulosin atherosclerosis GAP_HIGH 0.1488 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in atherosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.24) nimodipine uterine_fibroid GAP_HIGH 0.1488 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in uterine_fibroid cell model. Expected: similar to ifenprodil (Jaccard=0.23) prazepam azoospermia GAP_HIGH 0.1488 0.20833333333333334 chlorpromazine High-priority: Binding assay prazepam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.21) ranolazine lung_cancer GAP_HIGH 0.1488 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in lung_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) dinoprostone urinary_bladder_cancer GAP_HIGH 0.1488 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) aminoglutethimide vulva_cancer GAP_HIGH 0.1488 0.16666666666666666 clozapine High-priority: Binding assay aminoglutethimide→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.17) flutamide epilepsy_syndrome GAP_HIGH 0.1488 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in epilepsy_syndrome cell model. Expected: similar to butenafine (Jaccard=0.17) irbesartan sarcoma GAP_HIGH 0.1488 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in sarcoma cell model. Expected: similar to vinblastine (Jaccard=0.17) epoprostenol type_1_diabetes_mellitus GAP_LOW 0.1488 0.125 exemestane Low-priority: Computational docking epoprostenol vs type_1_diabetes_mellitus targets. Cross-check epoprostenol pharmacophore against type_1_diabetes_mellitus pathway. eprosartan hepatitis_b GAP_LOW 0.1488 0.125 alvimopan Low-priority: Computational docking eprosartan vs hepatitis_b targets. Cross-check eprosartan pharmacophore against hepatitis_b pathway. doxycycline germ_cell_cancer GAP_LOW 0.1488 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs germ_cell_cancer targets. Cross-check doxycycline pharmacophore against germ_cell_cancer pathway. sodium_tetradecyl_sulfate larynx_cancer GAP_LOW 0.1488 0.058823529411764705 doxorubicin Low-priority: Computational docking sodium_tetradecyl_sulfate vs larynx_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against larynx_cancer pathway. l-cystine lymphatic_system_cancer GAP_LOW 0.1488 0.02857142857142857 riboflavin Low-priority: Computational docking l-cystine vs lymphatic_system_cancer targets. Cross-check l-cystine pharmacophore against lymphatic_system_cancer pathway. flurbiprofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1487 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.53) nortriptyline skin_cancer GAP_HIGH 0.1487 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in skin_cancer cell model. Expected: similar to doxepin (Jaccard=0.50) bethanidine vascular_cancer GAP_HIGH 0.1487 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in vascular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.43) danazol multiple_sclerosis GAP_HIGH 0.1487 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in multiple_sclerosis cell model. Expected: similar to spironolactone (Jaccard=0.36) danazol psoriasis GAP_HIGH 0.1487 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in psoriasis cell model. Expected: similar to spironolactone (Jaccard=0.36) enalapril asthma GAP_HIGH 0.1487 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.36) etonogestrel obesity GAP_HIGH 0.1487 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.33) tamsulosin ocular_cancer GAP_HIGH 0.1487 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.32) codeine migraine GAP_HIGH 0.1487 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in migraine cell model. Expected: similar to doxapram (Jaccard=0.27) clotiazepam psoriasis GAP_HIGH 0.1487 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) isradipine pharynx_cancer GAP_HIGH 0.1487 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in pharynx_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) estriol primary_biliary_cirrhosis GAP_HIGH 0.1487 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.17) irbesartan systemic_lupus_erythematosus GAP_HIGH 0.1487 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vinblastine (Jaccard=0.17) nilvadipine malignant_mesothelioma GAP_HIGH 0.1487 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.17) pyrimethamine pharynx_cancer GAP_HIGH 0.1487 0.16666666666666666 pemetrexed High-priority: Binding assay pyrimethamine→?; validate in pharynx_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.17) aminolevulinic_acid polycystic_ovary_syndrome GAP_LOW 0.1487 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs polycystic_ovary_syndrome targets. Cross-check aminolevulinic_acid pharmacophore against polycystic_ovary_syndrome pathway. dihomo-gamma-linolenic_acid alopecia_areata GAP_LOW 0.1487 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs alopecia_areata targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against alopecia_areata pathway. doxycycline mediastinal_cancer GAP_LOW 0.1487 0.1 afatinib Low-priority: Computational docking doxycycline vs mediastinal_cancer targets. Cross-check doxycycline pharmacophore against mediastinal_cancer pathway. nortriptyline vaginal_cancer GAP_HIGH 0.1486 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in vaginal_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) nortriptyline vulva_cancer GAP_HIGH 0.1486 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in vulva_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) azatadine sclerosing_cholangitis GAP_HIGH 0.1486 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.43) tolmetin sclerosing_cholangitis GAP_HIGH 0.1486 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in sclerosing_cholangitis cell model. Expected: similar to bromfenac (Jaccard=0.39) aceprometazine skin_cancer GAP_HIGH 0.1486 0.375 promethazine High-priority: Binding assay aceprometazine→?; validate in skin_cancer cell model. Expected: similar to promethazine (Jaccard=0.38) danazol migraine GAP_HIGH 0.1486 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in migraine cell model. Expected: similar to spironolactone (Jaccard=0.36) danazol sarcoma GAP_HIGH 0.1486 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in sarcoma cell model. Expected: similar to spironolactone (Jaccard=0.36) enalapril allergic_rhinitis GAP_HIGH 0.1486 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.36) indomethacin refractive_error GAP_HIGH 0.1486 0.2857142857142857 epinephrine High-priority: Binding assay indomethacin→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.29) proparacaine asthma GAP_HIGH 0.1486 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in asthma cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine conduct_disorder GAP_HIGH 0.1486 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in conduct_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine panic_disorder GAP_HIGH 0.1486 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in panic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine schizophrenia GAP_HIGH 0.1486 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in schizophrenia cell model. Expected: similar to phenmetrazine (Jaccard=0.29) dopamine membranous_glomerulonephritis GAP_HIGH 0.1486 0.25 adefovir_dipivoxil High-priority: Binding assay dopamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.25) procaine leprosy GAP_HIGH 0.1486 0.25 phenmetrazine High-priority: Binding assay procaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.25) quinacrine sclerosing_cholangitis GAP_HIGH 0.1486 0.2413793103448276 chlordiazepoxide High-priority: Binding assay quinacrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.24) carvedilol conduct_disorder GAP_HIGH 0.1486 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) carvedilol panic_disorder GAP_HIGH 0.1486 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) carvedilol schizophrenia GAP_HIGH 0.1486 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.22) methyclothiazide esophageal_cancer GAP_HIGH 0.1486 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) tofisopam ulcerative_colitis GAP_HIGH 0.1486 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) losartan autistic_disorder GAP_HIGH 0.1486 0.2 l-arginine High-priority: Binding assay losartan→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) losartan nicotine_dependence GAP_HIGH 0.1486 0.2 l-arginine High-priority: Binding assay losartan→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.20) ranolazine liver_cancer GAP_HIGH 0.1486 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in liver_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) oxyphenonium malignant_mesothelioma GAP_HIGH 0.1486 0.16666666666666666 warfarin High-priority: Binding assay oxyphenonium→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.17) epoprostenol muscle_cancer GAP_HIGH 0.1486 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.15) spirapril membranous_glomerulonephritis GAP_LOW 0.1486 0.14285714285714285 alvimopan Low-priority: Computational docking spirapril vs membranous_glomerulonephritis targets. Cross-check spirapril pharmacophore against membranous_glomerulonephritis pathway. caffeine membranous_glomerulonephritis GAP_LOW 0.1486 0.125 amsacrine Low-priority: Computational docking caffeine vs membranous_glomerulonephritis targets. Cross-check caffeine pharmacophore against membranous_glomerulonephritis pathway. dronedarone peripheral_nervous_system_neoplasm GAP_LOW 0.1486 0.125 ifenprodil Low-priority: Computational docking dronedarone vs peripheral_nervous_system_neoplasm targets. Cross-check dronedarone pharmacophore against peripheral_nervous_system_neoplasm pathway. candesartan lymphatic_system_cancer GAP_LOW 0.1486 0.1111111111111111 streptozocin Low-priority: Computational docking candesartan vs lymphatic_system_cancer targets. Cross-check candesartan pharmacophore against lymphatic_system_cancer pathway. doxycycline thymus_cancer GAP_LOW 0.1486 0.1 afatinib Low-priority: Computational docking doxycycline vs thymus_cancer targets. Cross-check doxycycline pharmacophore against thymus_cancer pathway. valsartan acquired_immunodeficiency_syndrome GAP_LOW 0.1486 0.09090909090909091 alvimopan Low-priority: Computational docking valsartan vs acquired_immunodeficiency_syndrome targets. Cross-check valsartan pharmacophore against acquired_immunodeficiency_syndrome pathway. dronedarone celiac_disease GAP_LOW 0.1486 0.08695652173913043 fentanyl Low-priority: Computational docking dronedarone vs celiac_disease targets. Cross-check dronedarone pharmacophore against celiac_disease pathway. dronedarone chronic_kidney_failure GAP_LOW 0.1486 0.08695652173913043 naftifine Low-priority: Computational docking dronedarone vs chronic_kidney_failure targets. Cross-check dronedarone pharmacophore against chronic_kidney_failure pathway. alpha-linolenic_acid pancreatitis GAP_LOW 0.1486 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs pancreatitis targets. Cross-check alpha-linolenic_acid pharmacophore against pancreatitis pathway. clenbuterol acquired_immunodeficiency_syndrome GAP_LOW 0.1486 0.07692307692307693 lisinopril Low-priority: Computational docking clenbuterol vs acquired_immunodeficiency_syndrome targets. Cross-check clenbuterol pharmacophore against acquired_immunodeficiency_syndrome pathway. dronedarone type_1_diabetes_mellitus GAP_LOW 0.1486 0.07692307692307693 lisinopril Low-priority: Computational docking dronedarone vs type_1_diabetes_mellitus targets. Cross-check dronedarone pharmacophore against type_1_diabetes_mellitus pathway. sodium_lauryl_sulfate membranous_glomerulonephritis GAP_LOW 0.1486 0.07692307692307693 trifluoperazine Low-priority: Computational docking sodium_lauryl_sulfate vs membranous_glomerulonephritis targets. Cross-check sodium_lauryl_sulfate pharmacophore against membranous_glomerulonephritis pathway. fludrocortisone barretts_esophagus GAP_LOW 0.1486 0.05263157894736842 pantoprazole Low-priority: Computational docking fludrocortisone vs barretts_esophagus targets. Cross-check fludrocortisone pharmacophore against barretts_esophagus pathway. tamoxifen gout GAP_HIGH 0.1485 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.56) pheniramine duodenum_cancer GAP_HIGH 0.1485 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in duodenum_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) pheniramine gallbladder_cancer GAP_HIGH 0.1485 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in gallbladder_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) nortriptyline testicular_cancer GAP_HIGH 0.1485 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in testicular_cancer cell model. Expected: similar to acepromazine (Jaccard=0.50) temazepam azoospermia GAP_HIGH 0.1485 0.46153846153846156 trifluoperazine High-priority: Binding assay temazepam→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.46) pazopanib ankylosing_spondylitis GAP_HIGH 0.1485 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.42) alverine chronic_kidney_failure GAP_HIGH 0.1485 0.38461538461538464 promethazine High-priority: Binding assay alverine→?; validate in chronic_kidney_failure cell model. Expected: similar to promethazine (Jaccard=0.38) floxuridine osteoarthritis GAP_HIGH 0.1485 0.3333333333333333 vidarabine High-priority: Binding assay floxuridine→?; validate in osteoarthritis cell model. Expected: similar to vidarabine (Jaccard=0.33) loteprednol celiac_disease GAP_HIGH 0.1485 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in celiac_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) adinazolam vaginal_cancer GAP_HIGH 0.1485 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) adinazolam vulva_cancer GAP_HIGH 0.1485 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) proparacaine allergic_rhinitis GAP_HIGH 0.1485 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in allergic_rhinitis cell model. Expected: similar to phenmetrazine (Jaccard=0.29) proparacaine breast_cancer GAP_HIGH 0.1485 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.29) norepinephrine gout GAP_HIGH 0.1485 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in gout cell model. Expected: similar to droxidopa (Jaccard=0.27) norepinephrine primary_biliary_cirrhosis GAP_HIGH 0.1485 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to droxidopa (Jaccard=0.27) isocarboxazid hepatitis_b GAP_HIGH 0.1485 0.25 mitiglinide High-priority: Binding assay isocarboxazid→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.25) methsuximide muscle_cancer GAP_HIGH 0.1485 0.23076923076923078 azelastine High-priority: Binding assay methsuximide→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.23) nimodipine restless_legs_syndrome GAP_HIGH 0.1485 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.23) sulpiride conduct_disorder GAP_HIGH 0.1485 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.21) tofisopam uterine_cancer GAP_HIGH 0.1485 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in uterine_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) isradipine ankylosing_spondylitis GAP_HIGH 0.1485 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in ankylosing_spondylitis cell model. Expected: similar to desoximetasone (Jaccard=0.20) irbesartan skin_cancer GAP_HIGH 0.1485 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in skin_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) epoprostenol lung_cancer GAP_HIGH 0.1485 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in lung_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol rectum_cancer GAP_HIGH 0.1485 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in rectum_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid rheumatoid_arthritis GAP_LOW 0.1485 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs rheumatoid_arthritis targets. Cross-check aminolevulinic_acid pharmacophore against rheumatoid_arthritis pathway. talbutal hypertension GAP_LOW 0.1485 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs hypertension targets. Cross-check talbutal pharmacophore against hypertension pathway. caffeine intracranial_aneurysm GAP_LOW 0.1485 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs intracranial_aneurysm targets. Cross-check caffeine pharmacophore against intracranial_aneurysm pathway. doxycycline creutzfeldt-jakob_disease GAP_LOW 0.1485 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs creutzfeldt-jakob_disease targets. Cross-check doxycycline pharmacophore against creutzfeldt-jakob_disease pathway. glipizide acquired_immunodeficiency_syndrome GAP_LOW 0.1485 0.1 aciclovir Low-priority: Computational docking glipizide vs acquired_immunodeficiency_syndrome targets. Cross-check glipizide pharmacophore against acquired_immunodeficiency_syndrome pathway. gefitinib pancreatitis GAP_HIGH 0.1484 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in pancreatitis cell model. Expected: similar to vandetanib (Jaccard=0.61) aminosalicylic_acid urinary_bladder_cancer GAP_HIGH 0.1484 0.5 mesalazine High-priority: Binding assay aminosalicylic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.50) nortriptyline vascular_cancer GAP_HIGH 0.1484 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in vascular_cancer cell model. Expected: similar to doxepin (Jaccard=0.50) ethinyl_estradiol melanoma GAP_HIGH 0.1484 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in melanoma cell model. Expected: similar to estrone (Jaccard=0.47) naproxen penile_cancer GAP_HIGH 0.1484 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) bethanidine uterine_fibroid GAP_HIGH 0.1484 0.43478260869565216 nateglinide High-priority: Binding assay bethanidine→?; validate in uterine_fibroid cell model. Expected: similar to nateglinide (Jaccard=0.43) masoprocol crohns_disease GAP_HIGH 0.1484 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in crohns_disease cell model. Expected: similar to carbidopa (Jaccard=0.43) danazol systemic_lupus_erythematosus GAP_HIGH 0.1484 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to spironolactone (Jaccard=0.36) enalapril migraine GAP_HIGH 0.1484 0.35714285714285715 lisinopril High-priority: Binding assay enalapril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.36) chlorpromazine leprosy GAP_HIGH 0.1484 0.35555555555555557 phensuximide High-priority: Binding assay chlorpromazine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.36) dasatinib colon_cancer GAP_HIGH 0.1484 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.32) adinazolam testicular_cancer GAP_HIGH 0.1484 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) proparacaine bipolar_disorder GAP_HIGH 0.1484 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in bipolar_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.29) clotiazepam systemic_lupus_erythematosus GAP_HIGH 0.1484 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) chlorpropamide celiac_disease GAP_HIGH 0.1484 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in celiac_disease cell model. Expected: similar to bezafibrate (Jaccard=0.26) l-methionine refractive_error GAP_HIGH 0.1484 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in refractive_error cell model. Expected: similar to l-histidine (Jaccard=0.24) medroxyprogesterone_acetate dilated_cardiomyopathy GAP_HIGH 0.1484 0.23529411764705882 progesterone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.24) nimodipine vitiligo GAP_HIGH 0.1484 0.23076923076923078 ifenprodil High-priority: Binding assay nimodipine→?; validate in vitiligo cell model. Expected: similar to ifenprodil (Jaccard=0.23) phenindione alcohol_dependence GAP_HIGH 0.1484 0.23076923076923078 mazindol High-priority: Binding assay phenindione→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.23) carvedilol bipolar_disorder GAP_HIGH 0.1484 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) carvedilol endogenous_depression GAP_HIGH 0.1484 0.2222222222222222 naloxone High-priority: Binding assay carvedilol→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.22) sulpiride bipolar_disorder GAP_HIGH 0.1484 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.21) anisindione membranous_glomerulonephritis GAP_HIGH 0.1484 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cyamemazine (Jaccard=0.20) etidronic_acid chronic_kidney_failure GAP_HIGH 0.1484 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in chronic_kidney_failure cell model. Expected: similar to metolazone (Jaccard=0.20) isradipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1484 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine thyroid_cancer GAP_HIGH 0.1484 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in thyroid_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) losartan attention_deficit_hyperactivity_disorder GAP_HIGH 0.1484 0.2 l-arginine High-priority: Binding assay losartan→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) metolazone penile_cancer GAP_HIGH 0.1484 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in penile_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) aminocaproic_acid hematologic_cancer GAP_HIGH 0.1484 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) zolmitriptan obesity GAP_HIGH 0.1484 0.18181818181818182 eletriptan High-priority: Binding assay zolmitriptan→?; validate in obesity cell model. Expected: similar to eletriptan (Jaccard=0.18) irbesartan vaginal_cancer GAP_HIGH 0.1484 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in vaginal_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) irbesartan vulva_cancer GAP_HIGH 0.1484 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in vulva_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) dinoprost_tromethamine coronary_artery_disease GAP_LOW 0.1484 0.125 naloxone Low-priority: Computational docking dinoprost_tromethamine vs coronary_artery_disease targets. Cross-check dinoprost_tromethamine pharmacophore against coronary_artery_disease pathway. dinoprost_tromethamine hematologic_cancer GAP_LOW 0.1484 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs hematologic_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against hematologic_cancer pathway. glisoxepide acquired_immunodeficiency_syndrome GAP_LOW 0.1484 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs acquired_immunodeficiency_syndrome targets. Cross-check glisoxepide pharmacophore against acquired_immunodeficiency_syndrome pathway. sodium_tetradecyl_sulfate chronic_kidney_failure GAP_LOW 0.1484 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs chronic_kidney_failure targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against chronic_kidney_failure pathway. labetalol leprosy GAP_LOW 0.1484 0.023809523809523808 phensuximide Low-priority: Computational docking labetalol vs leprosy targets. Cross-check labetalol pharmacophore against leprosy pathway. atomoxetine barretts_esophagus GAP_LOW 0.1484 0.0 pantoprazole Low-priority: Computational docking atomoxetine vs barretts_esophagus targets. Cross-check atomoxetine pharmacophore against barretts_esophagus pathway. cyclizine barretts_esophagus GAP_LOW 0.1484 0.0 pantoprazole Low-priority: Computational docking cyclizine vs barretts_esophagus targets. Cross-check cyclizine pharmacophore against barretts_esophagus pathway. indecainide barretts_esophagus GAP_LOW 0.1484 0.0 pantoprazole Low-priority: Computational docking indecainide vs barretts_esophagus targets. Cross-check indecainide pharmacophore against barretts_esophagus pathway. loxapine barretts_esophagus GAP_LOW 0.1484 0.0 pantoprazole Low-priority: Computational docking loxapine vs barretts_esophagus targets. Cross-check loxapine pharmacophore against barretts_esophagus pathway. procarbazine barretts_esophagus GAP_LOW 0.1484 0.0 pantoprazole Low-priority: Computational docking procarbazine vs barretts_esophagus targets. Cross-check procarbazine pharmacophore against barretts_esophagus pathway. chlorpromazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1483 0.5185185185185185 loxapine High-priority: Binding assay chlorpromazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.52) temazepam membranous_glomerulonephritis GAP_HIGH 0.1483 0.46153846153846156 trifluoperazine High-priority: Binding assay temazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.46) benzphetamine muscle_cancer GAP_HIGH 0.1483 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) trandolapril hypertension GAP_HIGH 0.1483 0.375 cilazapril High-priority: Binding assay trandolapril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.38) danazol metabolic_syndrome_x GAP_HIGH 0.1483 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in metabolic_syndrome_x cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine hypertension GAP_HIGH 0.1483 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in hypertension cell model. Expected: similar to cyclopentolate (Jaccard=0.36) anileridine stomach_cancer GAP_HIGH 0.1483 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in stomach_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) enalapril sarcoma GAP_HIGH 0.1483 0.35714285714285715 trandolapril High-priority: Binding assay enalapril→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.36) methyltestosterone type_1_diabetes_mellitus GAP_HIGH 0.1483 0.3333333333333333 hydrocortisone High-priority: Binding assay methyltestosterone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.33) orphenadrine esophageal_cancer GAP_HIGH 0.1483 0.3333333333333333 tamoxifen High-priority: Binding assay orphenadrine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) sulfadiazine epilepsy_syndrome GAP_HIGH 0.1483 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in epilepsy_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.33) difenoxin uterine_fibroid GAP_HIGH 0.1483 0.32 diphenylpyraline High-priority: Binding assay difenoxin→?; validate in uterine_fibroid cell model. Expected: similar to diphenylpyraline (Jaccard=0.32) tamsulosin peripheral_nervous_system_neoplasm GAP_HIGH 0.1483 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.32) proparacaine endogenous_depression GAP_HIGH 0.1483 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in endogenous_depression cell model. Expected: similar to phenmetrazine (Jaccard=0.29) norepinephrine coronary_artery_disease GAP_HIGH 0.1483 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in coronary_artery_disease cell model. Expected: similar to droxidopa (Jaccard=0.27) clotiazepam metabolic_syndrome_x GAP_HIGH 0.1483 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) dopamine germ_cell_cancer GAP_HIGH 0.1483 0.25 vincristine High-priority: Binding assay dopamine→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) tenofovir psoriatic_arthritis GAP_HIGH 0.1483 0.2222222222222222 ribavirin High-priority: Binding assay tenofovir→?; validate in psoriatic_arthritis cell model. Expected: similar to ribavirin (Jaccard=0.22) sulpiride endogenous_depression GAP_HIGH 0.1483 0.21428571428571427 lisinopril High-priority: Binding assay sulpiride→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.21) streptozocin pharynx_cancer GAP_HIGH 0.1483 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in pharynx_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) dinoprostone stomach_cancer GAP_HIGH 0.1483 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) aciclovir narcolepsy GAP_HIGH 0.1483 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.17) benzthiazide breast_cancer GAP_HIGH 0.1483 0.16666666666666666 arbutamine High-priority: Binding assay benzthiazide→?; validate in breast_cancer cell model. Expected: similar to arbutamine (Jaccard=0.17) benzthiazide colon_cancer GAP_HIGH 0.1483 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in colon_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) flutamide lung_cancer GAP_HIGH 0.1483 0.16666666666666666 medroxyprogesterone_acetate High-priority: Binding assay flutamide→?; validate in lung_cancer cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.17) irbesartan testicular_cancer GAP_HIGH 0.1483 0.16666666666666666 lapatinib High-priority: Binding assay irbesartan→?; validate in testicular_cancer cell model. Expected: similar to lapatinib (Jaccard=0.17) epoprostenol liver_cancer GAP_HIGH 0.1483 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in liver_cancer cell model. Expected: similar to estrone (Jaccard=0.15) talbutal osteoporosis GAP_LOW 0.1483 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs osteoporosis targets. Cross-check talbutal pharmacophore against osteoporosis pathway. l-ornithine focal_segmental_glomerulosclerosis GAP_LOW 0.1483 0.13333333333333333 calcium_acetate Low-priority: Computational docking l-ornithine vs focal_segmental_glomerulosclerosis targets. Cross-check l-ornithine pharmacophore against focal_segmental_glomerulosclerosis pathway. trimethoprim focal_segmental_glomerulosclerosis GAP_LOW 0.1483 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs focal_segmental_glomerulosclerosis targets. Cross-check trimethoprim pharmacophore against focal_segmental_glomerulosclerosis pathway. flutamide alopecia_areata GAP_LOW 0.1483 0.125 cyproterone_acetate Low-priority: Computational docking flutamide vs alopecia_areata targets. Cross-check flutamide pharmacophore against alopecia_areata pathway. lubiprostone breast_cancer GAP_LOW 0.1483 0.10526315789473684 mestranol Low-priority: Computational docking lubiprostone vs breast_cancer targets. Cross-check lubiprostone pharmacophore against breast_cancer pathway. alpha-linolenic_acid rectum_cancer GAP_LOW 0.1483 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs rectum_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against rectum_cancer pathway. flutamide dilated_cardiomyopathy GAP_LOW 0.1483 0.07142857142857142 drospirenone Low-priority: Computational docking flutamide vs dilated_cardiomyopathy targets. Cross-check flutamide pharmacophore against dilated_cardiomyopathy pathway. vitamin_c lymphatic_system_cancer GAP_LOW 0.1483 0.07142857142857142 lamivudine Low-priority: Computational docking vitamin_c vs lymphatic_system_cancer targets. Cross-check vitamin_c pharmacophore against lymphatic_system_cancer pathway. clenbuterol gestational_diabetes GAP_LOW 0.1483 0.038461538461538464 bezafibrate Low-priority: Computational docking clenbuterol vs gestational_diabetes targets. Cross-check clenbuterol pharmacophore against gestational_diabetes pathway. heptabarbital gestational_diabetes GAP_LOW 0.1483 0.03333333333333333 bezafibrate Low-priority: Computational docking heptabarbital vs gestational_diabetes targets. Cross-check heptabarbital pharmacophore against gestational_diabetes pathway. doxycycline bone_cancer GAP_LOW 0.1483 0.0 ibandronate Low-priority: Computational docking doxycycline vs bone_cancer targets. Cross-check doxycycline pharmacophore against bone_cancer pathway. epinephrine pagets_disease_of_bone GAP_LOW 0.1483 0.0 ibandronate Low-priority: Computational docking epinephrine vs pagets_disease_of_bone targets. Cross-check epinephrine pharmacophore against pagets_disease_of_bone pathway. nabumetone pagets_disease_of_bone GAP_LOW 0.1483 0.0 ibandronate Low-priority: Computational docking nabumetone vs pagets_disease_of_bone targets. Cross-check nabumetone pharmacophore against pagets_disease_of_bone pathway. propofol bone_cancer GAP_LOW 0.1483 0.0 ibandronate Low-priority: Computational docking propofol vs bone_cancer targets. Cross-check propofol pharmacophore against bone_cancer pathway. propofol gestational_diabetes GAP_LOW 0.1483 0.0 tolazamide Low-priority: Computational docking propofol vs gestational_diabetes targets. Cross-check propofol pharmacophore against gestational_diabetes pathway. talbutal leprosy GAP_LOW 0.1483 0.0 sulfapyridine Low-priority: Computational docking talbutal vs leprosy targets. Cross-check talbutal pharmacophore against leprosy pathway. pipotiazine crohns_disease GAP_HIGH 0.1482 0.5714285714285714 pirenzepine High-priority: Binding assay pipotiazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.57) pheniramine sclerosing_cholangitis GAP_HIGH 0.1482 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to clofedanol (Jaccard=0.53) lamivudine psoriatic_arthritis GAP_HIGH 0.1482 0.4090909090909091 vidarabine High-priority: Binding assay lamivudine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.41) cortisone_acetate type_1_diabetes_mellitus GAP_HIGH 0.1482 0.375 prednisone High-priority: Binding assay cortisone_acetate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to prednisone (Jaccard=0.38) danazol osteoarthritis GAP_HIGH 0.1482 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in osteoarthritis cell model. Expected: similar to spironolactone (Jaccard=0.36) danazol skin_cancer GAP_HIGH 0.1482 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in skin_cancer cell model. Expected: similar to spironolactone (Jaccard=0.36) gemcitabine hematologic_cancer GAP_HIGH 0.1482 0.36363636363636365 adenosine High-priority: Binding assay gemcitabine→?; validate in hematologic_cancer cell model. Expected: similar to adenosine (Jaccard=0.36) anileridine pancreatic_cancer GAP_HIGH 0.1482 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in pancreatic_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) etonogestrel restless_legs_syndrome GAP_HIGH 0.1482 0.3333333333333333 spironolactone High-priority: Binding assay etonogestrel→?; validate in restless_legs_syndrome cell model. Expected: similar to spironolactone (Jaccard=0.33) zidovudine hematologic_cancer GAP_HIGH 0.1482 0.3333333333333333 emtricitabine High-priority: Binding assay zidovudine→?; validate in hematologic_cancer cell model. Expected: similar to emtricitabine (Jaccard=0.33) dasatinib psoriasis GAP_HIGH 0.1482 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.32) proparacaine multiple_sclerosis GAP_HIGH 0.1482 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in multiple_sclerosis cell model. Expected: similar to phenmetrazine (Jaccard=0.29) l-carnitine metabolic_syndrome_x GAP_HIGH 0.1482 0.21428571428571427 trimethoprim High-priority: Binding assay l-carnitine→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.21) metolazone malignant_mesothelioma GAP_HIGH 0.1482 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in malignant_mesothelioma cell model. Expected: similar to etidronic_acid (Jaccard=0.20) nilvadipine pancreatitis GAP_HIGH 0.1482 0.18181818181818182 difenoxin High-priority: Binding assay nilvadipine→?; validate in pancreatitis cell model. Expected: similar to difenoxin (Jaccard=0.18) benzthiazide stomach_cancer GAP_HIGH 0.1482 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) flutamide alzheimers_disease GAP_HIGH 0.1482 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in alzheimers_disease cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide parkinsons_disease GAP_HIGH 0.1482 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in parkinsons_disease cell model. Expected: similar to butenafine (Jaccard=0.17) irbesartan vascular_cancer GAP_HIGH 0.1482 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in vascular_cancer cell model. Expected: similar to vinblastine (Jaccard=0.17) epoprostenol urinary_bladder_cancer GAP_HIGH 0.1482 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in urinary_bladder_cancer cell model. Expected: similar to estrone (Jaccard=0.15) aminolevulinic_acid psoriatic_arthritis GAP_LOW 0.1482 0.14814814814814814 l-serine Low-priority: Computational docking aminolevulinic_acid vs psoriatic_arthritis targets. Cross-check aminolevulinic_acid pharmacophore against psoriatic_arthritis pathway. talbutal multiple_sclerosis GAP_LOW 0.1482 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs multiple_sclerosis targets. Cross-check talbutal pharmacophore against multiple_sclerosis pathway. tolazamide acquired_immunodeficiency_syndrome GAP_LOW 0.1482 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs acquired_immunodeficiency_syndrome targets. Cross-check tolazamide pharmacophore against acquired_immunodeficiency_syndrome pathway. caffeine lymphatic_system_cancer GAP_LOW 0.1482 0.07692307692307693 gemcitabine Low-priority: Computational docking caffeine vs lymphatic_system_cancer targets. Cross-check caffeine pharmacophore against lymphatic_system_cancer pathway. gefitinib lung_cancer GAP_HIGH 0.1481 0.6060606060606061 vandetanib High-priority: Binding assay gefitinib→?; validate in lung_cancer cell model. Expected: similar to vandetanib (Jaccard=0.61) flurbiprofen lung_cancer GAP_HIGH 0.1481 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in lung_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen rectum_cancer GAP_HIGH 0.1481 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) nortriptyline uterine_fibroid GAP_HIGH 0.1481 0.5 acepromazine High-priority: Binding assay nortriptyline→?; validate in uterine_fibroid cell model. Expected: similar to acepromazine (Jaccard=0.50) ethinyl_estradiol sclerosing_cholangitis GAP_HIGH 0.1481 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in sclerosing_cholangitis cell model. Expected: similar to estrone (Jaccard=0.47) diclofenac membranous_glomerulonephritis GAP_HIGH 0.1481 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) aceprometazine systemic_scleroderma GAP_HIGH 0.1481 0.375 promethazine High-priority: Binding assay aceprometazine→?; validate in systemic_scleroderma cell model. Expected: similar to promethazine (Jaccard=0.38) anileridine ulcerative_colitis GAP_HIGH 0.1481 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in ulcerative_colitis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) arbutamine crohns_disease GAP_HIGH 0.1481 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in crohns_disease cell model. Expected: similar to droxidopa (Jaccard=0.35) topotecan crohns_disease GAP_HIGH 0.1481 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in crohns_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) sotalol azoospermia GAP_HIGH 0.1481 0.3181818181818182 naproxen High-priority: Binding assay sotalol→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.32) dasatinib osteoporosis GAP_HIGH 0.1481 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.32) ketazolam melanoma GAP_HIGH 0.1481 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.30) tolmetin gestational_diabetes GAP_HIGH 0.1481 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in gestational_diabetes cell model. Expected: similar to bezafibrate (Jaccard=0.24) colchicine intracranial_aneurysm GAP_HIGH 0.1481 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in intracranial_aneurysm cell model. Expected: similar to dexamethasone (Jaccard=0.20) isradipine salivary_gland_cancer GAP_HIGH 0.1481 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in salivary_gland_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) nisoldipine azoospermia GAP_HIGH 0.1481 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in azoospermia cell model. Expected: similar to ifenprodil (Jaccard=0.20) tropicamide duodenum_cancer GAP_HIGH 0.1481 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) tropicamide gallbladder_cancer GAP_HIGH 0.1481 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) dinoprostone uterine_cancer GAP_HIGH 0.1481 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) benzthiazide pancreatic_cancer GAP_HIGH 0.1481 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide ulcerative_colitis GAP_HIGH 0.1481 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.17) flutamide autistic_disorder GAP_HIGH 0.1481 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in autistic_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide nicotine_dependence GAP_HIGH 0.1481 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in nicotine_dependence cell model. Expected: similar to butenafine (Jaccard=0.17) nicardipine prostate_cancer GAP_HIGH 0.1481 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) pyrimethamine salivary_gland_cancer GAP_HIGH 0.1481 0.16666666666666666 dinoprost_tromethamine High-priority: Binding assay pyrimethamine→?; validate in salivary_gland_cancer cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.17) pasireotide celiac_disease GAP_LOW 0.1481 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs celiac_disease targets. Cross-check pasireotide pharmacophore against celiac_disease pathway. dronedarone colon_cancer GAP_LOW 0.1481 0.125 ifenprodil Low-priority: Computational docking dronedarone vs colon_cancer targets. Cross-check dronedarone pharmacophore against colon_cancer pathway. tafluprost dilated_cardiomyopathy GAP_LOW 0.1481 0.1 milrinone Low-priority: Computational docking tafluprost vs dilated_cardiomyopathy targets. Cross-check tafluprost pharmacophore against dilated_cardiomyopathy pathway. alpha-linolenic_acid liver_cancer GAP_LOW 0.1481 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs liver_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against liver_cancer pathway. methacholine gilles_de_la_tourette_syndrome GAP_LOW 0.1481 0.08333333333333333 moricizine Low-priority: Computational docking methacholine vs gilles_de_la_tourette_syndrome targets. Cross-check methacholine pharmacophore against gilles_de_la_tourette_syndrome pathway. glisoxepide alcohol_dependence GAP_LOW 0.1481 0.07142857142857142 midazolam Low-priority: Computational docking glisoxepide vs alcohol_dependence targets. Cross-check glisoxepide pharmacophore against alcohol_dependence pathway. methohexital dilated_cardiomyopathy GAP_LOW 0.1481 0.04 trandolapril Low-priority: Computational docking methohexital vs dilated_cardiomyopathy targets. Cross-check methohexital pharmacophore against dilated_cardiomyopathy pathway. flurbiprofen liver_cancer GAP_HIGH 0.148 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) cyclizine crohns_disease GAP_HIGH 0.148 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.42) ifenprodil rheumatoid_arthritis GAP_HIGH 0.148 0.4090909090909091 fentanyl High-priority: Binding assay ifenprodil→?; validate in rheumatoid_arthritis cell model. Expected: similar to fentanyl (Jaccard=0.41) vinblastine lung_cancer GAP_HIGH 0.148 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in lung_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) anileridine osteoporosis GAP_HIGH 0.148 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in osteoporosis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) flurazepam systemic_scleroderma GAP_HIGH 0.148 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in systemic_scleroderma cell model. Expected: similar to midazolam (Jaccard=0.33) mestranol esophageal_cancer GAP_HIGH 0.148 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in esophageal_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) naloxone urinary_bladder_cancer GAP_HIGH 0.148 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in urinary_bladder_cancer cell model. Expected: similar to estramustine (Jaccard=0.33) cyclizine alcohol_dependence GAP_HIGH 0.148 0.3125 temazepam High-priority: Binding assay cyclizine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.31) sulfaphenazole azoospermia GAP_HIGH 0.148 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) adinazolam uterine_fibroid GAP_HIGH 0.148 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.29) methsuximide mediastinal_cancer GAP_HIGH 0.148 0.21875 chlorcyclizine High-priority: Binding assay methsuximide→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) tofisopam skin_cancer GAP_HIGH 0.148 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in skin_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) carvedilol prostate_cancer GAP_HIGH 0.148 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in prostate_cancer cell model. Expected: similar to sunitinib (Jaccard=0.20) losartan conduct_disorder GAP_HIGH 0.148 0.2 l-arginine High-priority: Binding assay losartan→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) streptozocin thyroid_cancer GAP_HIGH 0.148 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in thyroid_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) tofisopam duodenum_cancer GAP_HIGH 0.148 0.2 naftifine High-priority: Binding assay tofisopam→?; validate in duodenum_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) tofisopam gallbladder_cancer GAP_HIGH 0.148 0.2 naftifine High-priority: Binding assay tofisopam→?; validate in gallbladder_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) benzthiazide osteoporosis GAP_HIGH 0.148 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide ovarian_cancer GAP_HIGH 0.148 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in ovarian_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) benzthiazide uterine_cancer GAP_HIGH 0.148 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) emtricitabine gout GAP_HIGH 0.148 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in gout cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) irbesartan systemic_scleroderma GAP_HIGH 0.148 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in systemic_scleroderma cell model. Expected: similar to vinblastine (Jaccard=0.17) nicardipine mediastinal_cancer GAP_HIGH 0.148 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) norepinephrine dilated_cardiomyopathy GAP_HIGH 0.148 0.16666666666666666 milrinone High-priority: Binding assay norepinephrine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.17) gliquidone pharynx_cancer GAP_HIGH 0.148 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) naloxone leprosy GAP_LOW 0.148 0.14285714285714285 pomalidomide Low-priority: Computational docking naloxone vs leprosy targets. Cross-check naloxone pharmacophore against leprosy pathway. aminophenazone brain_cancer GAP_LOW 0.148 0.1 megestrol_acetate Low-priority: Computational docking aminophenazone vs brain_cancer targets. Cross-check aminophenazone pharmacophore against brain_cancer pathway. aminophenazone intracranial_aneurysm GAP_LOW 0.148 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs intracranial_aneurysm targets. Cross-check aminophenazone pharmacophore against intracranial_aneurysm pathway. sodium_tetradecyl_sulfate penile_cancer GAP_LOW 0.148 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs penile_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against penile_cancer pathway. heptabarbital dilated_cardiomyopathy GAP_LOW 0.148 0.047619047619047616 rimexolone Low-priority: Computational docking heptabarbital vs dilated_cardiomyopathy targets. Cross-check heptabarbital pharmacophore against dilated_cardiomyopathy pathway. aprobarbital gestational_diabetes GAP_LOW 0.148 0.03225806451612903 bezafibrate Low-priority: Computational docking aprobarbital vs gestational_diabetes targets. Cross-check aprobarbital pharmacophore against gestational_diabetes pathway. butethal gestational_diabetes GAP_LOW 0.148 0.03225806451612903 bezafibrate Low-priority: Computational docking butethal vs gestational_diabetes targets. Cross-check butethal pharmacophore against gestational_diabetes pathway. succinic_acid lymphatic_system_cancer GAP_LOW 0.148 0.02702702702702703 glucosamine Low-priority: Computational docking succinic_acid vs lymphatic_system_cancer targets. Cross-check succinic_acid pharmacophore against lymphatic_system_cancer pathway. acetophenazine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking acetophenazine vs barretts_esophagus targets. Cross-check acetophenazine pharmacophore against barretts_esophagus pathway. alvimopan barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking alvimopan vs barretts_esophagus targets. Cross-check alvimopan pharmacophore against barretts_esophagus pathway. butenafine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking butenafine vs barretts_esophagus targets. Cross-check butenafine pharmacophore against barretts_esophagus pathway. dexamethasone barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking dexamethasone vs barretts_esophagus targets. Cross-check dexamethasone pharmacophore against barretts_esophagus pathway. doxepin barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking doxepin vs barretts_esophagus targets. Cross-check doxepin pharmacophore against barretts_esophagus pathway. l-histidine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking l-histidine vs barretts_esophagus targets. Cross-check l-histidine pharmacophore against barretts_esophagus pathway. lamivudine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking lamivudine vs barretts_esophagus targets. Cross-check lamivudine pharmacophore against barretts_esophagus pathway. phenylpropanolamine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking phenylpropanolamine vs barretts_esophagus targets. Cross-check phenylpropanolamine pharmacophore against barretts_esophagus pathway. pseudoephedrine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking pseudoephedrine vs barretts_esophagus targets. Cross-check pseudoephedrine pharmacophore against barretts_esophagus pathway. vinblastine barretts_esophagus GAP_LOW 0.148 0.0 pantoprazole Low-priority: Computational docking vinblastine vs barretts_esophagus targets. Cross-check vinblastine pharmacophore against barretts_esophagus pathway. mequitazine systemic_lupus_erythematosus GAP_HIGH 0.1479 0.5 cetirizine High-priority: Binding assay mequitazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.50) suprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1479 0.4117647058823529 sotalol High-priority: Binding assay suprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.41) naproxen type_1_diabetes_mellitus GAP_HIGH 0.1479 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.41) zuclopenthixol alcohol_dependence GAP_HIGH 0.1479 0.3888888888888889 temazepam High-priority: Binding assay zuclopenthixol→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.39) ramipril hypertension GAP_HIGH 0.1479 0.375 cilazapril High-priority: Binding assay ramipril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.38) danazol obesity GAP_HIGH 0.1479 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in obesity cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine sarcoma GAP_HIGH 0.1479 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in sarcoma cell model. Expected: similar to cyclopentolate (Jaccard=0.36) orphenadrine focal_segmental_glomerulosclerosis GAP_HIGH 0.1479 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.33) selegiline gout GAP_HIGH 0.1479 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.33) selegiline primary_biliary_cirrhosis GAP_HIGH 0.1479 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) clotiazepam obesity GAP_HIGH 0.1479 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) salbutamol atherosclerosis GAP_HIGH 0.1479 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.25) methsuximide thymus_cancer GAP_HIGH 0.1479 0.21875 chlorcyclizine High-priority: Binding assay methsuximide→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) tofisopam vulva_cancer GAP_HIGH 0.1479 0.21428571428571427 diphenylpyraline High-priority: Binding assay tofisopam→?; validate in vulva_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.21) isradipine muscle_cancer GAP_HIGH 0.1479 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in muscle_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) losartan bipolar_disorder GAP_HIGH 0.1479 0.2 l-arginine High-priority: Binding assay losartan→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) streptozocin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1479 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dipivefrin (Jaccard=0.20) tolazoline acquired_immunodeficiency_syndrome GAP_HIGH 0.1479 0.2 mitiglinide High-priority: Binding assay tolazoline→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.20) vorinostat ankylosing_spondylitis GAP_HIGH 0.1479 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in ankylosing_spondylitis cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) norelgestromin alcohol_dependence GAP_HIGH 0.1479 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) ranolazine stomach_cancer GAP_HIGH 0.1479 0.1875 probenecid High-priority: Binding assay ranolazine→?; validate in stomach_cancer cell model. Expected: similar to probenecid (Jaccard=0.19) flutamide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1479 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) irbesartan uterine_fibroid GAP_HIGH 0.1479 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in uterine_fibroid cell model. Expected: similar to vinblastine (Jaccard=0.17) methylphenobarbital membranous_glomerulonephritis GAP_HIGH 0.1479 0.15384615384615385 naftifine High-priority: Binding assay methylphenobarbital→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.15) cilazapril gilles_de_la_tourette_syndrome GAP_LOW 0.1479 0.14285714285714285 alvimopan Low-priority: Computational docking cilazapril vs gilles_de_la_tourette_syndrome targets. Cross-check cilazapril pharmacophore against gilles_de_la_tourette_syndrome pathway. oxyphenonium larynx_cancer GAP_LOW 0.1479 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs larynx_cancer targets. Cross-check oxyphenonium pharmacophore against larynx_cancer pathway. talbutal metabolic_syndrome_x GAP_LOW 0.1479 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs metabolic_syndrome_x targets. Cross-check talbutal pharmacophore against metabolic_syndrome_x pathway. propofol urinary_bladder_cancer GAP_LOW 0.1479 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs urinary_bladder_cancer targets. Cross-check propofol pharmacophore against urinary_bladder_cancer pathway. dronedarone psoriasis GAP_LOW 0.1479 0.125 ifenprodil Low-priority: Computational docking dronedarone vs psoriasis targets. Cross-check dronedarone pharmacophore against psoriasis pathway. dronedarone uterine_cancer GAP_LOW 0.1479 0.125 ifenprodil Low-priority: Computational docking dronedarone vs uterine_cancer targets. Cross-check dronedarone pharmacophore against uterine_cancer pathway. quazepam malignant_mesothelioma GAP_LOW 0.1479 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs malignant_mesothelioma targets. Cross-check quazepam pharmacophore against malignant_mesothelioma pathway. doxycycline celiac_disease GAP_LOW 0.1479 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs celiac_disease targets. Cross-check doxycycline pharmacophore against celiac_disease pathway. doxycycline hepatitis_b GAP_LOW 0.1479 0.058823529411764705 trandolapril Low-priority: Computational docking doxycycline vs hepatitis_b targets. Cross-check doxycycline pharmacophore against hepatitis_b pathway. arformoterol hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking arformoterol vs hypothyroidism targets. Cross-check arformoterol pharmacophore against hypothyroidism pathway. atenolol hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking atenolol vs hypothyroidism targets. Cross-check atenolol pharmacophore against hypothyroidism pathway. calcitriol hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking calcitriol vs hypothyroidism targets. Cross-check calcitriol pharmacophore against hypothyroidism pathway. conjugated_estrogens hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking conjugated_estrogens vs hypothyroidism targets. Cross-check conjugated_estrogens pharmacophore against hypothyroidism pathway. ergocalciferol hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking ergocalciferol vs hypothyroidism targets. Cross-check ergocalciferol pharmacophore against hypothyroidism pathway. hydrochlorothiazide hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking hydrochlorothiazide vs hypothyroidism targets. Cross-check hydrochlorothiazide pharmacophore against hypothyroidism pathway. ospemifene hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking ospemifene vs hypothyroidism targets. Cross-check ospemifene pharmacophore against hypothyroidism pathway. remifentanil hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking remifentanil vs hypothyroidism targets. Cross-check remifentanil pharmacophore against hypothyroidism pathway. telmisartan hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking telmisartan vs hypothyroidism targets. Cross-check telmisartan pharmacophore against hypothyroidism pathway. tropicamide hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking tropicamide vs hypothyroidism targets. Cross-check tropicamide pharmacophore against hypothyroidism pathway. vitamin_a hypothyroidism GAP_LOW 0.1479 0.0 methimazole Low-priority: Computational docking vitamin_a vs hypothyroidism targets. Cross-check vitamin_a pharmacophore against hypothyroidism pathway. nortriptyline polycystic_ovary_syndrome GAP_HIGH 0.1478 0.5 doxepin High-priority: Binding assay nortriptyline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to doxepin (Jaccard=0.50) azelastine kidney_cancer GAP_HIGH 0.1478 0.44 quinacrine High-priority: Binding assay azelastine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.44) bromodiphenhydramine lung_cancer GAP_HIGH 0.1478 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in lung_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) bromodiphenhydramine rectum_cancer GAP_HIGH 0.1478 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in rectum_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) anileridine systemic_lupus_erythematosus GAP_HIGH 0.1478 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclopentolate (Jaccard=0.36) vismodegib malaria GAP_HIGH 0.1478 0.34782608695652173 sulfapyridine High-priority: Binding assay vismodegib→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.35) allylestrenol pharynx_cancer GAP_HIGH 0.1478 0.2857142857142857 loteprednol High-priority: Binding assay allylestrenol→?; validate in pharynx_cancer cell model. Expected: similar to loteprednol (Jaccard=0.29) agomelatine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1478 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to bezafibrate (Jaccard=0.26) isradipine ocular_cancer GAP_HIGH 0.1478 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in ocular_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) losartan endogenous_depression GAP_HIGH 0.1478 0.2 l-arginine High-priority: Binding assay losartan→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.20) mephentermine head_and_neck_cancer GAP_HIGH 0.1478 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in head_and_neck_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) mephentermine malignant_glioma GAP_HIGH 0.1478 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in malignant_glioma cell model. Expected: similar to topotecan (Jaccard=0.20) nicardipine thymus_cancer GAP_HIGH 0.1478 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) pyrimethamine ocular_cancer GAP_HIGH 0.1478 0.16666666666666666 dinoprost_tromethamine High-priority: Binding assay pyrimethamine→?; validate in ocular_cancer cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.17) gliquidone thyroid_cancer GAP_HIGH 0.1478 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) dronedarone multiple_sclerosis GAP_LOW 0.1478 0.125 ifenprodil Low-priority: Computational docking dronedarone vs multiple_sclerosis targets. Cross-check dronedarone pharmacophore against multiple_sclerosis pathway. dronedarone ovarian_cancer GAP_LOW 0.1478 0.125 ifenprodil Low-priority: Computational docking dronedarone vs ovarian_cancer targets. Cross-check dronedarone pharmacophore against ovarian_cancer pathway. doxycycline chronic_kidney_failure GAP_LOW 0.1478 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs chronic_kidney_failure targets. Cross-check doxycycline pharmacophore against chronic_kidney_failure pathway. sodium_tetradecyl_sulfate malignant_mesothelioma GAP_LOW 0.1478 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs malignant_mesothelioma targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against malignant_mesothelioma pathway. alpha-linolenic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1478 0.04878048780487805 fenoprofen Low-priority: Computational docking alpha-linolenic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check alpha-linolenic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. mequitazine skin_cancer GAP_HIGH 0.1477 0.5 cetirizine High-priority: Binding assay mequitazine→?; validate in skin_cancer cell model. Expected: similar to cetirizine (Jaccard=0.50) azatadine pancreatitis GAP_HIGH 0.1477 0.42857142857142855 temazepam High-priority: Binding assay azatadine→?; validate in pancreatitis cell model. Expected: similar to temazepam (Jaccard=0.43) masoprocol gout GAP_HIGH 0.1477 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in gout cell model. Expected: similar to carbidopa (Jaccard=0.43) masoprocol primary_biliary_cirrhosis GAP_HIGH 0.1477 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to carbidopa (Jaccard=0.43) bromodiphenhydramine liver_cancer GAP_HIGH 0.1477 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in liver_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) sunitinib celiac_disease GAP_HIGH 0.1477 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.40) tolmetin pancreatitis GAP_HIGH 0.1477 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in pancreatitis cell model. Expected: similar to bromfenac (Jaccard=0.39) danazol systemic_scleroderma GAP_HIGH 0.1477 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in systemic_scleroderma cell model. Expected: similar to spironolactone (Jaccard=0.36) acenocoumarol asthma GAP_HIGH 0.1477 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in asthma cell model. Expected: similar to fosphenytoin (Jaccard=0.35) indomethacin rheumatoid_arthritis GAP_HIGH 0.1477 0.3333333333333333 ketoprofen High-priority: Binding assay indomethacin→?; validate in rheumatoid_arthritis cell model. Expected: similar to ketoprofen (Jaccard=0.33) topotecan idiopathic_pulmonary_fibrosis GAP_HIGH 0.1477 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) trilostane restless_legs_syndrome GAP_HIGH 0.1477 0.3333333333333333 prednisone High-priority: Binding assay trilostane→?; validate in restless_legs_syndrome cell model. Expected: similar to prednisone (Jaccard=0.33) tamsulosin pancreatic_cancer GAP_HIGH 0.1477 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in pancreatic_cancer cell model. Expected: similar to propranolol (Jaccard=0.32) adinazolam polycystic_ovary_syndrome GAP_HIGH 0.1477 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.29) dopamine penile_cancer GAP_HIGH 0.1477 0.25 vincristine High-priority: Binding assay dopamine→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) mephentermine kidney_cancer GAP_HIGH 0.1477 0.2 benzocaine High-priority: Binding assay mephentermine→?; validate in kidney_cancer cell model. Expected: similar to benzocaine (Jaccard=0.20) doxapram malaria GAP_HIGH 0.1477 0.19230769230769232 modafinil High-priority: Binding assay doxapram→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.19) losartan hematologic_cancer GAP_HIGH 0.1477 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.18) candesartan ankylosing_spondylitis GAP_HIGH 0.1477 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in ankylosing_spondylitis cell model. Expected: similar to menadione (Jaccard=0.17) carvedilol focal_segmental_glomerulosclerosis GAP_HIGH 0.1477 0.16666666666666666 bumetanide High-priority: Binding assay carvedilol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.17) nicardipine hematologic_cancer GAP_HIGH 0.1477 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) prazepam atherosclerosis GAP_HIGH 0.1477 0.16666666666666666 flurbiprofen High-priority: Binding assay prazepam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.17) epoprostenol asthma GAP_HIGH 0.1477 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in asthma cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol atopic_dermatitis GAP_HIGH 0.1477 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in atopic_dermatitis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol colon_cancer GAP_HIGH 0.1477 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in colon_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol hypertension GAP_HIGH 0.1477 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.15) talbutal osteoarthritis GAP_LOW 0.1477 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs osteoarthritis targets. Cross-check talbutal pharmacophore against osteoarthritis pathway. l-ornithine glaucoma GAP_LOW 0.1477 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs glaucoma targets. Cross-check l-ornithine pharmacophore against glaucoma pathway. baclofen alcohol_dependence GAP_LOW 0.1477 0.05555555555555555 levorphanol Low-priority: Computational docking baclofen vs alcohol_dependence targets. Cross-check baclofen pharmacophore against alcohol_dependence pathway. dronedarone atherosclerosis GAP_LOW 0.1477 0.038461538461538464 bezafibrate Low-priority: Computational docking dronedarone vs atherosclerosis targets. Cross-check dronedarone pharmacophore against atherosclerosis pathway. thiothixene hematologic_cancer GAP_HIGH 0.1476 0.5909090909090909 zuclopenthixol High-priority: Binding assay thiothixene→?; validate in hematologic_cancer cell model. Expected: similar to zuclopenthixol (Jaccard=0.59) naproxen meningioma GAP_HIGH 0.1476 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.44) desipramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1476 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.43) anileridine skin_cancer GAP_HIGH 0.1476 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in skin_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) sulfadiazine parkinsons_disease GAP_HIGH 0.1476 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in parkinsons_disease cell model. Expected: similar to olsalazine (Jaccard=0.33) tamsulosin multiple_sclerosis GAP_HIGH 0.1476 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in multiple_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.32) dasatinib osteoarthritis GAP_HIGH 0.1476 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.32) doxylamine gout GAP_HIGH 0.1476 0.3 promethazine High-priority: Binding assay doxylamine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.30) adinazolam vitiligo GAP_HIGH 0.1476 0.2857142857142857 clozapine High-priority: Binding assay adinazolam→?; validate in vitiligo cell model. Expected: similar to clozapine (Jaccard=0.29) dipivefrin narcolepsy GAP_HIGH 0.1476 0.2727272727272727 levonordefrin High-priority: Binding assay dipivefrin→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.27) isradipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1476 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to gabapentin (Jaccard=0.20) isradipine nicotine_dependence GAP_HIGH 0.1476 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in nicotine_dependence cell model. Expected: similar to gabapentin (Jaccard=0.20) mephentermine nephrolithiasis GAP_HIGH 0.1476 0.2 benzocaine High-priority: Binding assay mephentermine→?; validate in nephrolithiasis cell model. Expected: similar to benzocaine (Jaccard=0.20) metolazone meningioma GAP_HIGH 0.1476 0.2 clodronate High-priority: Binding assay metolazone→?; validate in meningioma cell model. Expected: similar to clodronate (Jaccard=0.20) streptozocin salivary_gland_cancer GAP_HIGH 0.1476 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in salivary_gland_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) flutamide asthma GAP_HIGH 0.1476 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in asthma cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide conduct_disorder GAP_HIGH 0.1476 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in conduct_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide panic_disorder GAP_HIGH 0.1476 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in panic_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide schizophrenia GAP_HIGH 0.1476 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in schizophrenia cell model. Expected: similar to butenafine (Jaccard=0.17) lercanidipine kidney_cancer GAP_HIGH 0.1476 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) epoprostenol allergic_rhinitis GAP_HIGH 0.1476 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in allergic_rhinitis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol pancreatic_cancer GAP_HIGH 0.1476 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in pancreatic_cancer cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol stomach_cancer GAP_HIGH 0.1476 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in stomach_cancer cell model. Expected: similar to estrone (Jaccard=0.15) quinethazone leprosy GAP_LOW 0.1476 0.14285714285714285 sulfamethizole Low-priority: Computational docking quinethazone vs leprosy targets. Cross-check quinethazone pharmacophore against leprosy pathway. caffeine head_and_neck_cancer GAP_LOW 0.1476 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs head_and_neck_cancer targets. Cross-check caffeine pharmacophore against head_and_neck_cancer pathway. caffeine malignant_glioma GAP_LOW 0.1476 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs malignant_glioma targets. Cross-check caffeine pharmacophore against malignant_glioma pathway. l-ornithine atherosclerosis GAP_LOW 0.1476 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs atherosclerosis targets. Cross-check l-ornithine pharmacophore against atherosclerosis pathway. doxycycline melanoma GAP_LOW 0.1476 0.1 afatinib Low-priority: Computational docking doxycycline vs melanoma targets. Cross-check doxycycline pharmacophore against melanoma pathway. solifenacin kidney_cancer GAP_LOW 0.1476 0.1 voacamine Low-priority: Computational docking solifenacin vs kidney_cancer targets. Cross-check solifenacin pharmacophore against kidney_cancer pathway. aminophenazone focal_segmental_glomerulosclerosis GAP_LOW 0.1476 0.09523809523809523 naftifine Low-priority: Computational docking aminophenazone vs focal_segmental_glomerulosclerosis targets. Cross-check aminophenazone pharmacophore against focal_segmental_glomerulosclerosis pathway. pipotiazine gout GAP_HIGH 0.1475 0.5714285714285714 pirenzepine High-priority: Binding assay pipotiazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.57) ethinyl_estradiol thyroid_cancer GAP_HIGH 0.1475 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in thyroid_cancer cell model. Expected: similar to estrone (Jaccard=0.47) masoprocol coronary_artery_disease GAP_HIGH 0.1475 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in coronary_artery_disease cell model. Expected: similar to carbidopa (Jaccard=0.43) clonidine crohns_disease GAP_HIGH 0.1475 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in crohns_disease cell model. Expected: similar to bromfenac (Jaccard=0.41) lidocaine migraine GAP_HIGH 0.1475 0.375 chloroprocaine High-priority: Binding assay lidocaine→?; validate in migraine cell model. Expected: similar to chloroprocaine (Jaccard=0.38) sulfadiazine amyotrophic_lateral_sclerosis GAP_HIGH 0.1475 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.33) tamsulosin sarcoma GAP_HIGH 0.1475 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.32) alprazolam hematologic_cancer GAP_HIGH 0.1475 0.2903225806451613 flurbiprofen High-priority: Binding assay alprazolam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.29) norepinephrine melanoma GAP_HIGH 0.1475 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in melanoma cell model. Expected: similar to droxidopa (Jaccard=0.27) phenindione atherosclerosis GAP_HIGH 0.1475 0.26666666666666666 flurbiprofen High-priority: Binding assay phenindione→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.27) dopamine malignant_mesothelioma GAP_HIGH 0.1475 0.25 vincristine High-priority: Binding assay dopamine→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.25) milnacipran malignant_mesothelioma GAP_HIGH 0.1475 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.25) goserelin breast_cancer GAP_HIGH 0.1475 0.2 ceruletide High-priority: Binding assay goserelin→?; validate in breast_cancer cell model. Expected: similar to ceruletide (Jaccard=0.20) isradipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1475 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine urinary_bladder_cancer GAP_HIGH 0.1475 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) lercanidipine colon_cancer GAP_HIGH 0.1475 0.2 pimozide High-priority: Binding assay lercanidipine→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) dinoprostone testicular_cancer GAP_HIGH 0.1475 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) dinoprostone vaginal_cancer GAP_HIGH 0.1475 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in vaginal_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) dinoprostone vulva_cancer GAP_HIGH 0.1475 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in vulva_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) benzthiazide osteoarthritis GAP_HIGH 0.1475 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in osteoarthritis cell model. Expected: similar to etoricoxib (Jaccard=0.17) dihomo-gamma-linolenic_acid metabolic_syndrome_x GAP_HIGH 0.1475 0.16666666666666666 acetyldigitoxin High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in metabolic_syndrome_x cell model. Expected: similar to acetyldigitoxin (Jaccard=0.17) flutamide atopic_dermatitis GAP_HIGH 0.1475 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in atopic_dermatitis cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide breast_cancer GAP_HIGH 0.1475 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in breast_cancer cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide hypertension GAP_HIGH 0.1475 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in hypertension cell model. Expected: similar to butenafine (Jaccard=0.17) irbesartan vitiligo GAP_HIGH 0.1475 0.16666666666666666 vinblastine High-priority: Binding assay irbesartan→?; validate in vitiligo cell model. Expected: similar to vinblastine (Jaccard=0.17) lercanidipine nephrolithiasis GAP_HIGH 0.1475 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.17) epoprostenol psoriasis GAP_HIGH 0.1475 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol ulcerative_colitis GAP_HIGH 0.1475 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in ulcerative_colitis cell model. Expected: similar to estrone (Jaccard=0.15) quinapril azoospermia GAP_LOW 0.1475 0.14285714285714285 indecainide Low-priority: Computational docking quinapril vs azoospermia targets. Cross-check quinapril pharmacophore against azoospermia pathway. talbutal obesity GAP_LOW 0.1475 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs obesity targets. Cross-check talbutal pharmacophore against obesity pathway. phenobarbital celiac_disease GAP_LOW 0.1475 0.13333333333333333 chlorcyclizine Low-priority: Computational docking phenobarbital vs celiac_disease targets. Cross-check phenobarbital pharmacophore against celiac_disease pathway. doxycycline muscle_cancer GAP_LOW 0.1475 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs muscle_cancer targets. Cross-check doxycycline pharmacophore against muscle_cancer pathway. riboflavin esophageal_cancer GAP_LOW 0.1475 0.1 epirubicin Low-priority: Computational docking riboflavin vs esophageal_cancer targets. Cross-check riboflavin pharmacophore against esophageal_cancer pathway. solifenacin nephrolithiasis GAP_LOW 0.1475 0.1 voacamine Low-priority: Computational docking solifenacin vs nephrolithiasis targets. Cross-check solifenacin pharmacophore against nephrolithiasis pathway. aprobarbital dilated_cardiomyopathy GAP_LOW 0.1475 0.045454545454545456 rimexolone Low-priority: Computational docking aprobarbital vs dilated_cardiomyopathy targets. Cross-check aprobarbital pharmacophore against dilated_cardiomyopathy pathway. butethal dilated_cardiomyopathy GAP_LOW 0.1475 0.045454545454545456 rimexolone Low-priority: Computational docking butethal vs dilated_cardiomyopathy targets. Cross-check butethal pharmacophore against dilated_cardiomyopathy pathway. alendronate barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking alendronate vs barretts_esophagus targets. Cross-check alendronate pharmacophore against barretts_esophagus pathway. desipramine barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking desipramine vs barretts_esophagus targets. Cross-check desipramine pharmacophore against barretts_esophagus pathway. eplerenone barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking eplerenone vs barretts_esophagus targets. Cross-check eplerenone pharmacophore against barretts_esophagus pathway. etidronic_acid barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking etidronic_acid vs barretts_esophagus targets. Cross-check etidronic_acid pharmacophore against barretts_esophagus pathway. lacosamide barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking lacosamide vs barretts_esophagus targets. Cross-check lacosamide pharmacophore against barretts_esophagus pathway. liothyronine barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking liothyronine vs barretts_esophagus targets. Cross-check liothyronine pharmacophore against barretts_esophagus pathway. pamidronate barretts_esophagus GAP_LOW 0.1475 0.0 pantoprazole Low-priority: Computational docking pamidronate vs barretts_esophagus targets. Cross-check pamidronate pharmacophore against barretts_esophagus pathway. azatadine lung_cancer GAP_HIGH 0.1474 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in lung_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine rectum_cancer GAP_HIGH 0.1474 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in rectum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) suprofen hematologic_cancer GAP_HIGH 0.1474 0.4117647058823529 sotalol High-priority: Binding assay suprofen→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.41) tolmetin lung_cancer GAP_HIGH 0.1474 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) tolmetin rectum_cancer GAP_HIGH 0.1474 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) danazol restless_legs_syndrome GAP_HIGH 0.1474 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in restless_legs_syndrome cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine testicular_cancer GAP_HIGH 0.1474 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in testicular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) arbutamine gout GAP_HIGH 0.1474 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in gout cell model. Expected: similar to droxidopa (Jaccard=0.35) arbutamine primary_biliary_cirrhosis GAP_HIGH 0.1474 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to droxidopa (Jaccard=0.35) mestranol type_1_diabetes_mellitus GAP_HIGH 0.1474 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.33) topotecan gout GAP_HIGH 0.1474 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.33) codeine vitiligo GAP_HIGH 0.1474 0.26666666666666666 doxapram High-priority: Binding assay codeine→?; validate in vitiligo cell model. Expected: similar to doxapram (Jaccard=0.27) streptozocin ocular_cancer GAP_HIGH 0.1474 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in ocular_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) dinoprostone vascular_cancer GAP_HIGH 0.1474 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in vascular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) benzthiazide testicular_cancer GAP_HIGH 0.1474 0.16666666666666666 etoricoxib High-priority: Binding assay benzthiazide→?; validate in testicular_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) candesartan epilepsy_syndrome GAP_HIGH 0.1474 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in epilepsy_syndrome cell model. Expected: similar to menadione (Jaccard=0.17) flutamide allergic_rhinitis GAP_HIGH 0.1474 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in allergic_rhinitis cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide bipolar_disorder GAP_HIGH 0.1474 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in bipolar_disorder cell model. Expected: similar to butenafine (Jaccard=0.17) losartan germ_cell_cancer GAP_HIGH 0.1474 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine prostate_cancer GAP_HIGH 0.1474 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) oxyphenonium prostate_cancer GAP_HIGH 0.1474 0.16666666666666666 warfarin High-priority: Binding assay oxyphenonium→?; validate in prostate_cancer cell model. Expected: similar to warfarin (Jaccard=0.17) epoprostenol migraine GAP_HIGH 0.1474 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in migraine cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol multiple_sclerosis GAP_HIGH 0.1474 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in multiple_sclerosis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol osteoporosis GAP_HIGH 0.1474 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in osteoporosis cell model. Expected: similar to estrone (Jaccard=0.15) epoprostenol ovarian_cancer GAP_HIGH 0.1474 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in ovarian_cancer cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone salivary_gland_cancer GAP_HIGH 0.1474 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) polythiazide brain_cancer GAP_LOW 0.1474 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs brain_cancer targets. Cross-check polythiazide pharmacophore against brain_cancer pathway. polythiazide intracranial_aneurysm GAP_LOW 0.1474 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs intracranial_aneurysm targets. Cross-check polythiazide pharmacophore against intracranial_aneurysm pathway. dronedarone skin_cancer GAP_LOW 0.1474 0.125 ifenprodil Low-priority: Computational docking dronedarone vs skin_cancer targets. Cross-check dronedarone pharmacophore against skin_cancer pathway. epoprostenol head_and_neck_cancer GAP_LOW 0.1474 0.125 exemestane Low-priority: Computational docking epoprostenol vs head_and_neck_cancer targets. Cross-check epoprostenol pharmacophore against head_and_neck_cancer pathway. alpha-linolenic_acid colon_cancer GAP_LOW 0.1474 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs colon_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against colon_cancer pathway. alpha-linolenic_acid narcolepsy GAP_LOW 0.1474 0.07142857142857142 aminocaproic_acid Low-priority: Computational docking alpha-linolenic_acid vs narcolepsy targets. Cross-check alpha-linolenic_acid pharmacophore against narcolepsy pathway. alpha-linolenic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1474 0.047619047619047616 ifenprodil Low-priority: Computational docking alpha-linolenic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check alpha-linolenic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. butabarbital gestational_diabetes GAP_LOW 0.1474 0.029411764705882353 bezafibrate Low-priority: Computational docking butabarbital vs gestational_diabetes targets. Cross-check butabarbital pharmacophore against gestational_diabetes pathway. nateglinide systemic_lupus_erythematosus GAP_HIGH 0.1473 0.5555555555555556 phenelzine High-priority: Binding assay nateglinide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenelzine (Jaccard=0.56) flurbiprofen atopic_dermatitis GAP_HIGH 0.1473 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in atopic_dermatitis cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen colon_cancer GAP_HIGH 0.1473 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in colon_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen stomach_cancer GAP_HIGH 0.1473 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in stomach_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) mequitazine systemic_scleroderma GAP_HIGH 0.1473 0.5 cetirizine High-priority: Binding assay mequitazine→?; validate in systemic_scleroderma cell model. Expected: similar to cetirizine (Jaccard=0.50) cyclizine gout GAP_HIGH 0.1473 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.42) cyclizine primary_biliary_cirrhosis GAP_HIGH 0.1473 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.42) tolmetin liver_cancer GAP_HIGH 0.1473 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) danazol vitiligo GAP_HIGH 0.1473 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in vitiligo cell model. Expected: similar to spironolactone (Jaccard=0.36) anileridine vascular_cancer GAP_HIGH 0.1473 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in vascular_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.36) levonorgestrel pharynx_cancer GAP_HIGH 0.1473 0.3333333333333333 progesterone High-priority: Binding assay levonorgestrel→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.33) sulfadiazine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1473 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to olsalazine (Jaccard=0.33) clotiazepam type_2_diabetes_mellitus GAP_HIGH 0.1473 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) clotiazepam vitiligo GAP_HIGH 0.1473 0.2631578947368421 chlordiazepoxide High-priority: Binding assay clotiazepam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) drostanolone dilated_cardiomyopathy GAP_HIGH 0.1473 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.26) amphetamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1473 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) choline kidney_cancer GAP_HIGH 0.1473 0.2 histamine_phosphate High-priority: Binding assay choline→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) ibuprofen ankylosing_spondylitis GAP_HIGH 0.1473 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in ankylosing_spondylitis cell model. Expected: similar to ketoprofen (Jaccard=0.20) estriol creutzfeldt-jakob_disease GAP_HIGH 0.1473 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to raloxifene (Jaccard=0.17) flutamide endogenous_depression GAP_HIGH 0.1473 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in endogenous_depression cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide psoriasis GAP_HIGH 0.1473 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in psoriasis cell model. Expected: similar to butenafine (Jaccard=0.17) gliquidone muscle_cancer GAP_HIGH 0.1473 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) dronedarone vulva_cancer GAP_LOW 0.1473 0.125 ifenprodil Low-priority: Computational docking dronedarone vs vulva_cancer targets. Cross-check dronedarone pharmacophore against vulva_cancer pathway. captopril alcohol_dependence GAP_LOW 0.1473 0.08333333333333333 naloxone Low-priority: Computational docking captopril vs alcohol_dependence targets. Cross-check captopril pharmacophore against alcohol_dependence pathway. alpha-linolenic_acid ankylosing_spondylitis GAP_LOW 0.1473 0.07692307692307693 anisindione Low-priority: Computational docking alpha-linolenic_acid vs ankylosing_spondylitis targets. Cross-check alpha-linolenic_acid pharmacophore against ankylosing_spondylitis pathway. alpha-linolenic_acid brain_cancer GAP_LOW 0.1473 0.05 medrysone Low-priority: Computational docking alpha-linolenic_acid vs brain_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against brain_cancer pathway. flurbiprofen pancreatic_cancer GAP_HIGH 0.1472 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in pancreatic_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) temazepam crohns_disease GAP_HIGH 0.1472 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.47) azatadine liver_cancer GAP_HIGH 0.1472 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in liver_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) docetaxel amyotrophic_lateral_sclerosis GAP_HIGH 0.1472 0.4 rasagiline High-priority: Binding assay docetaxel→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.40) tolmetin autistic_disorder GAP_HIGH 0.1472 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in autistic_disorder cell model. Expected: similar to bromfenac (Jaccard=0.39) tolmetin nicotine_dependence GAP_HIGH 0.1472 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in nicotine_dependence cell model. Expected: similar to bromfenac (Jaccard=0.39) vinblastine breast_cancer GAP_HIGH 0.1472 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in breast_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) arbutamine coronary_artery_disease GAP_HIGH 0.1472 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in coronary_artery_disease cell model. Expected: similar to droxidopa (Jaccard=0.35) floxuridine psoriatic_arthritis GAP_HIGH 0.1472 0.3333333333333333 vidarabine High-priority: Binding assay floxuridine→?; validate in psoriatic_arthritis cell model. Expected: similar to vidarabine (Jaccard=0.33) topotecan coronary_artery_disease GAP_HIGH 0.1472 0.3333333333333333 moexipril High-priority: Binding assay topotecan→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.33) topotecan narcolepsy GAP_HIGH 0.1472 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in narcolepsy cell model. Expected: similar to cyclandelate (Jaccard=0.33) ketazolam thyroid_cancer GAP_HIGH 0.1472 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.30) allylestrenol salivary_gland_cancer GAP_HIGH 0.1472 0.2857142857142857 loteprednol High-priority: Binding assay allylestrenol→?; validate in salivary_gland_cancer cell model. Expected: similar to loteprednol (Jaccard=0.29) colchicine head_and_neck_cancer GAP_HIGH 0.1472 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in head_and_neck_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine malignant_glioma GAP_HIGH 0.1472 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in malignant_glioma cell model. Expected: similar to dexamethasone (Jaccard=0.20) lercanidipine ovarian_cancer GAP_HIGH 0.1472 0.2 pimozide High-priority: Binding assay lercanidipine→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) flutamide migraine GAP_HIGH 0.1472 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in migraine cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide osteoporosis GAP_HIGH 0.1472 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in osteoporosis cell model. Expected: similar to butenafine (Jaccard=0.17) flutamide ovarian_cancer GAP_HIGH 0.1472 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in ovarian_cancer cell model. Expected: similar to butenafine (Jaccard=0.17) nilvadipine mediastinal_cancer GAP_HIGH 0.1472 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) oxyphenonium mediastinal_cancer GAP_HIGH 0.1472 0.16666666666666666 warfarin High-priority: Binding assay oxyphenonium→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.17) streptozocin glaucoma GAP_HIGH 0.1472 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in glaucoma cell model. Expected: similar to pirbuterol (Jaccard=0.17) l-aspartic_acid glaucoma GAP_HIGH 0.1472 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.16) doxycycline alzheimers_disease GAP_LOW 0.1472 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs alzheimers_disease targets. Cross-check doxycycline pharmacophore against alzheimers_disease pathway. doxycycline parkinsons_disease GAP_LOW 0.1472 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs parkinsons_disease targets. Cross-check doxycycline pharmacophore against parkinsons_disease pathway. dronedarone membranous_glomerulonephritis GAP_LOW 0.1472 0.08695652173913043 naftifine Low-priority: Computational docking dronedarone vs membranous_glomerulonephritis targets. Cross-check dronedarone pharmacophore against membranous_glomerulonephritis pathway. alpha-linolenic_acid ulcerative_colitis GAP_LOW 0.1472 0.08333333333333333 paclitaxel Low-priority: Computational docking alpha-linolenic_acid vs ulcerative_colitis targets. Cross-check alpha-linolenic_acid pharmacophore against ulcerative_colitis pathway. ranolazine gestational_diabetes GAP_LOW 0.1472 0.058823529411764705 tolbutamide Low-priority: Computational docking ranolazine vs gestational_diabetes targets. Cross-check ranolazine pharmacophore against gestational_diabetes pathway. fentanyl lung_cancer GAP_HIGH 0.1471 0.5555555555555556 diphenylpyraline High-priority: Binding assay fentanyl→?; validate in lung_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.56) nateglinide skin_cancer GAP_HIGH 0.1471 0.5555555555555556 phenelzine High-priority: Binding assay nateglinide→?; validate in skin_cancer cell model. Expected: similar to phenelzine (Jaccard=0.56) flurbiprofen ulcerative_colitis GAP_HIGH 0.1471 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.53) pirenzepine sclerosing_cholangitis GAP_HIGH 0.1471 0.4666666666666667 temazepam High-priority: Binding assay pirenzepine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.47) benzphetamine uterine_cancer GAP_HIGH 0.1471 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) cyclizine narcolepsy GAP_HIGH 0.1471 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in narcolepsy cell model. Expected: similar to benzatropine (Jaccard=0.42) tolmetin peripheral_nervous_system_neoplasm GAP_HIGH 0.1471 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.39) alverine membranous_glomerulonephritis GAP_HIGH 0.1471 0.38461538461538464 promethazine High-priority: Binding assay alverine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.38) danazol rheumatoid_arthritis GAP_HIGH 0.1471 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in rheumatoid_arthritis cell model. Expected: similar to spironolactone (Jaccard=0.36) tranylcypromine prostate_cancer GAP_HIGH 0.1471 0.35714285714285715 chloroprocaine High-priority: Binding assay tranylcypromine→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.36) flurazepam psoriatic_arthritis GAP_HIGH 0.1471 0.3333333333333333 midazolam High-priority: Binding assay flurazepam→?; validate in psoriatic_arthritis cell model. Expected: similar to midazolam (Jaccard=0.33) tamsulosin skin_cancer GAP_HIGH 0.1471 0.3181818181818182 propranolol High-priority: Binding assay tamsulosin→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.32) sulfapyridine atherosclerosis GAP_HIGH 0.1471 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in atherosclerosis cell model. Expected: similar to olsalazine (Jaccard=0.29) norepinephrine sclerosing_cholangitis GAP_HIGH 0.1471 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to droxidopa (Jaccard=0.27) adinazolam narcolepsy GAP_HIGH 0.1471 0.2631578947368421 chlordiazepoxide High-priority: Binding assay adinazolam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) mestranol dilated_cardiomyopathy GAP_HIGH 0.1471 0.2631578947368421 medrysone High-priority: Binding assay mestranol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.26) clotiazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1471 0.25 chlorprothixene High-priority: Binding assay clotiazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.25) quinethazone membranous_glomerulonephritis GAP_HIGH 0.1471 0.23809523809523808 tamsulosin High-priority: Binding assay quinethazone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to tamsulosin (Jaccard=0.24) oxybuprocaine leprosy GAP_HIGH 0.1471 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.21) methsuximide penile_cancer GAP_HIGH 0.1471 0.20833333333333334 phenylbutazone High-priority: Binding assay methsuximide→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.21) captopril coronary_artery_disease GAP_HIGH 0.1471 0.2 moexipril High-priority: Binding assay captopril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.20) isradipine asthma GAP_HIGH 0.1471 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in asthma cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine panic_disorder GAP_HIGH 0.1471 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in panic_disorder cell model. Expected: similar to gabapentin (Jaccard=0.20) isradipine schizophrenia GAP_HIGH 0.1471 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in schizophrenia cell model. Expected: similar to gabapentin (Jaccard=0.20) streptozocin urinary_bladder_cancer GAP_HIGH 0.1471 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in urinary_bladder_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) nicardipine osteoarthritis GAP_HIGH 0.1471 0.18181818181818182 difenoxin High-priority: Binding assay nicardipine→?; validate in osteoarthritis cell model. Expected: similar to difenoxin (Jaccard=0.18) vapreotide crohns_disease GAP_HIGH 0.1471 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in crohns_disease cell model. Expected: similar to deferasirox (Jaccard=0.18) nilvadipine thymus_cancer GAP_HIGH 0.1471 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) epoprostenol systemic_lupus_erythematosus GAP_HIGH 0.1471 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone ocular_cancer GAP_HIGH 0.1471 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) propofol sarcoma GAP_LOW 0.1471 0.13793103448275862 phenytoin Low-priority: Computational docking propofol vs sarcoma targets. Cross-check propofol pharmacophore against sarcoma pathway. pyrimethamine larynx_cancer GAP_LOW 0.1471 0.125 methotrexate Low-priority: Computational docking pyrimethamine vs larynx_cancer targets. Cross-check pyrimethamine pharmacophore against larynx_cancer pathway. doxycycline amyotrophic_lateral_sclerosis GAP_LOW 0.1471 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs amyotrophic_lateral_sclerosis targets. Cross-check doxycycline pharmacophore against amyotrophic_lateral_sclerosis pathway. doxycycline autistic_disorder GAP_LOW 0.1471 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs autistic_disorder targets. Cross-check doxycycline pharmacophore against autistic_disorder pathway. doxycycline nicotine_dependence GAP_LOW 0.1471 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs nicotine_dependence targets. Cross-check doxycycline pharmacophore against nicotine_dependence pathway. aminophenazone head_and_neck_cancer GAP_LOW 0.1471 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs head_and_neck_cancer targets. Cross-check aminophenazone pharmacophore against head_and_neck_cancer pathway. aminophenazone malignant_glioma GAP_LOW 0.1471 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs malignant_glioma targets. Cross-check aminophenazone pharmacophore against malignant_glioma pathway. amobarbital larynx_cancer GAP_LOW 0.1471 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs larynx_cancer targets. Cross-check amobarbital pharmacophore against larynx_cancer pathway. conivaptan acquired_immunodeficiency_syndrome GAP_LOW 0.1471 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs acquired_immunodeficiency_syndrome targets. Cross-check conivaptan pharmacophore against acquired_immunodeficiency_syndrome pathway. alpha-linolenic_acid crohns_disease GAP_LOW 0.1471 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs crohns_disease targets. Cross-check alpha-linolenic_acid pharmacophore against crohns_disease pathway. aceprometazine barretts_esophagus GAP_LOW 0.1471 0.0 pantoprazole Low-priority: Computational docking aceprometazine vs barretts_esophagus targets. Cross-check aceprometazine pharmacophore against barretts_esophagus pathway. brompheniramine barretts_esophagus GAP_LOW 0.1471 0.0 pantoprazole Low-priority: Computational docking brompheniramine vs barretts_esophagus targets. Cross-check brompheniramine pharmacophore against barretts_esophagus pathway. voacamine barretts_esophagus GAP_LOW 0.1471 0.0 pantoprazole Low-priority: Computational docking voacamine vs barretts_esophagus targets. Cross-check voacamine pharmacophore against barretts_esophagus pathway. clomipramine kidney_cancer GAP_HIGH 0.147 0.56 quinacrine High-priority: Binding assay clomipramine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.56) flurbiprofen ovarian_cancer GAP_HIGH 0.147 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in ovarian_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen uterine_cancer GAP_HIGH 0.147 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) pheniramine rectum_cancer GAP_HIGH 0.147 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in rectum_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) ethinyl_estradiol muscle_cancer GAP_HIGH 0.147 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in muscle_cancer cell model. Expected: similar to estrone (Jaccard=0.47) azelastine azoospermia GAP_HIGH 0.147 0.4444444444444444 chlorpromazine High-priority: Binding assay azelastine→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.44) pazopanib colon_cancer GAP_HIGH 0.147 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.42) acetophenazine azoospermia GAP_HIGH 0.147 0.4 mequitazine High-priority: Binding assay acetophenazine→?; validate in azoospermia cell model. Expected: similar to mequitazine (Jaccard=0.40) tolmetin attention_deficit_hyperactivity_disorder GAP_HIGH 0.147 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bromfenac (Jaccard=0.39) oxazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.147 0.38461538461538464 azatadine High-priority: Binding assay oxazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to azatadine (Jaccard=0.38) vismodegib glaucoma GAP_HIGH 0.147 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in glaucoma cell model. Expected: similar to olsalazine (Jaccard=0.38) anileridine uterine_fibroid GAP_HIGH 0.147 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.36) acenocoumarol metabolic_syndrome_x GAP_HIGH 0.147 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in metabolic_syndrome_x cell model. Expected: similar to fosphenytoin (Jaccard=0.35) acenocoumarol gout GAP_HIGH 0.147 0.3333333333333333 phenindione High-priority: Binding assay acenocoumarol→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.33) phenindamine malignant_mesothelioma GAP_HIGH 0.147 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.33) sulfadiazine asthma GAP_HIGH 0.147 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.33) sulfadiazine breast_cancer GAP_HIGH 0.147 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in breast_cancer cell model. Expected: similar to olsalazine (Jaccard=0.33) sulfadiazine conduct_disorder GAP_HIGH 0.147 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in conduct_disorder cell model. Expected: similar to olsalazine (Jaccard=0.33) sulfadiazine panic_disorder GAP_HIGH 0.147 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in panic_disorder cell model. Expected: similar to olsalazine (Jaccard=0.33) sulfadiazine schizophrenia GAP_HIGH 0.147 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in schizophrenia cell model. Expected: similar to olsalazine (Jaccard=0.33) ziprasidone idiopathic_pulmonary_fibrosis GAP_HIGH 0.147 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.30) captopril hematologic_cancer GAP_HIGH 0.147 0.2 glucosamine High-priority: Binding assay captopril→?; validate in hematologic_cancer cell model. Expected: similar to glucosamine (Jaccard=0.20) colchicine nephrolithiasis GAP_HIGH 0.147 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in nephrolithiasis cell model. Expected: similar to dexamethasone (Jaccard=0.20) etidronic_acid membranous_glomerulonephritis GAP_HIGH 0.147 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to metolazone (Jaccard=0.20) ibuprofen epilepsy_syndrome GAP_HIGH 0.147 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in epilepsy_syndrome cell model. Expected: similar to ketoprofen (Jaccard=0.20) isradipine atopic_dermatitis GAP_HIGH 0.147 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in atopic_dermatitis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine breast_cancer GAP_HIGH 0.147 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in breast_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine colon_cancer GAP_HIGH 0.147 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in colon_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine conduct_disorder GAP_HIGH 0.147 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in conduct_disorder cell model. Expected: similar to gabapentin (Jaccard=0.20) nisoldipine penile_cancer GAP_HIGH 0.147 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in penile_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) streptozocin peripheral_nervous_system_neoplasm GAP_HIGH 0.147 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lenalidomide (Jaccard=0.20) dinoprostone uterine_fibroid GAP_HIGH 0.147 0.18181818181818182 thalidomide High-priority: Binding assay dinoprostone→?; validate in uterine_fibroid cell model. Expected: similar to thalidomide (Jaccard=0.18) tioguanine esophageal_cancer GAP_HIGH 0.147 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in esophageal_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) oxyphenonium thymus_cancer GAP_HIGH 0.147 0.16666666666666666 warfarin High-priority: Binding assay oxyphenonium→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.17) quinapril breast_cancer GAP_HIGH 0.147 0.16666666666666666 topotecan High-priority: Binding assay quinapril→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) quinapril colon_cancer GAP_HIGH 0.147 0.16666666666666666 topotecan High-priority: Binding assay quinapril→?; validate in colon_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) quinapril stomach_cancer GAP_HIGH 0.147 0.16666666666666666 topotecan High-priority: Binding assay quinapril→?; validate in stomach_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) carboprost_tromethamine malignant_mesothelioma GAP_LOW 0.147 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs malignant_mesothelioma targets. Cross-check carboprost_tromethamine pharmacophore against malignant_mesothelioma pathway. gliquidone lymphatic_system_cancer GAP_LOW 0.147 0.1 aciclovir Low-priority: Computational docking gliquidone vs lymphatic_system_cancer targets. Cross-check gliquidone pharmacophore against lymphatic_system_cancer pathway. alpha-linolenic_acid epilepsy_syndrome GAP_LOW 0.147 0.07692307692307693 anisindione Low-priority: Computational docking alpha-linolenic_acid vs epilepsy_syndrome targets. Cross-check alpha-linolenic_acid pharmacophore against epilepsy_syndrome pathway. sodium_tetradecyl_sulfate membranous_glomerulonephritis GAP_LOW 0.147 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs membranous_glomerulonephritis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against membranous_glomerulonephritis pathway. succinic_acid alopecia_areata GAP_LOW 0.147 0.04 medrysone Low-priority: Computational docking succinic_acid vs alopecia_areata targets. Cross-check succinic_acid pharmacophore against alopecia_areata pathway. l-cystine alopecia_areata GAP_LOW 0.147 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs alopecia_areata targets. Cross-check l-cystine pharmacophore against alopecia_areata pathway. ethinyl_estradiol ocular_cancer GAP_HIGH 0.1469 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.47) sulfadiazine allergic_rhinitis GAP_HIGH 0.1469 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.33) cinchocaine hematologic_cancer GAP_HIGH 0.1469 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in hematologic_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine narcolepsy GAP_HIGH 0.1469 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in narcolepsy cell model. Expected: similar to phenmetrazine (Jaccard=0.30) isoetarine germ_cell_cancer GAP_HIGH 0.1469 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.27) dopamine meningioma GAP_HIGH 0.1469 0.25 vincristine High-priority: Binding assay dopamine→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.25) cinchocaine atherosclerosis GAP_HIGH 0.1469 0.23809523809523808 clofibrate High-priority: Binding assay cinchocaine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.24) carvedilol pancreatic_cancer GAP_HIGH 0.1469 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in pancreatic_cancer cell model. Expected: similar to gliclazide (Jaccard=0.21) isradipine allergic_rhinitis GAP_HIGH 0.1469 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in allergic_rhinitis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine pancreatic_cancer GAP_HIGH 0.1469 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in pancreatic_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) metolazone prostate_cancer GAP_HIGH 0.1469 0.2 clodronate High-priority: Binding assay metolazone→?; validate in prostate_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) aminocaproic_acid pharynx_cancer GAP_HIGH 0.1469 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) valsartan pancreatic_cancer GAP_HIGH 0.1469 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in pancreatic_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.18) antipyrine alcohol_dependence GAP_HIGH 0.1469 0.17391304347826086 mazindol High-priority: Binding assay antipyrine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.17) nicardipine melanoma GAP_HIGH 0.1469 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine hematologic_cancer GAP_HIGH 0.1469 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) quinapril pancreatic_cancer GAP_HIGH 0.1469 0.16666666666666666 topotecan High-priority: Binding assay quinapril→?; validate in pancreatic_cancer cell model. Expected: similar to topotecan (Jaccard=0.17) epoprostenol osteoarthritis GAP_HIGH 0.1469 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in osteoarthritis cell model. Expected: similar to estrone (Jaccard=0.15) talbutal polycystic_ovary_syndrome GAP_LOW 0.1469 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs polycystic_ovary_syndrome targets. Cross-check talbutal pharmacophore against polycystic_ovary_syndrome pathway. talbutal type_2_diabetes_mellitus GAP_LOW 0.1469 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs type_2_diabetes_mellitus targets. Cross-check talbutal pharmacophore against type_2_diabetes_mellitus pathway. doxycycline attention_deficit_hyperactivity_disorder GAP_LOW 0.1469 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs attention_deficit_hyperactivity_disorder targets. Cross-check doxycycline pharmacophore against attention_deficit_hyperactivity_disorder pathway. aminophenazone nephrolithiasis GAP_LOW 0.1469 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs nephrolithiasis targets. Cross-check aminophenazone pharmacophore against nephrolithiasis pathway. doxycycline pharynx_cancer GAP_LOW 0.1469 0.1 afatinib Low-priority: Computational docking doxycycline vs pharynx_cancer targets. Cross-check doxycycline pharmacophore against pharynx_cancer pathway. dronedarone alopecia_areata GAP_LOW 0.1469 0.058823529411764705 levorphanol Low-priority: Computational docking dronedarone vs alopecia_areata targets. Cross-check dronedarone pharmacophore against alopecia_areata pathway. pheniramine liver_cancer GAP_HIGH 0.1468 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in liver_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) temazepam prostate_cancer GAP_HIGH 0.1468 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) clonidine primary_biliary_cirrhosis GAP_HIGH 0.1468 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.41) bromodiphenhydramine ulcerative_colitis GAP_HIGH 0.1468 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in ulcerative_colitis cell model. Expected: similar to promethazine (Jaccard=0.40) bromodiphenhydramine uterine_cancer GAP_HIGH 0.1468 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in uterine_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) danazol psoriatic_arthritis GAP_HIGH 0.1468 0.36363636363636365 spironolactone High-priority: Binding assay danazol→?; validate in psoriatic_arthritis cell model. Expected: similar to spironolactone (Jaccard=0.36) acenocoumarol coronary_artery_disease GAP_HIGH 0.1468 0.3333333333333333 chlorprothixene High-priority: Binding assay acenocoumarol→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.33) selegiline duodenum_cancer GAP_HIGH 0.1468 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in duodenum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) selegiline gallbladder_cancer GAP_HIGH 0.1468 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in gallbladder_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) selegiline melanoma GAP_HIGH 0.1468 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in melanoma cell model. Expected: similar to cyclandelate (Jaccard=0.33) sulfadiazine bipolar_disorder GAP_HIGH 0.1468 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in bipolar_disorder cell model. Expected: similar to olsalazine (Jaccard=0.33) sulfadiazine endogenous_depression GAP_HIGH 0.1468 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in endogenous_depression cell model. Expected: similar to olsalazine (Jaccard=0.33) aspartame gout GAP_HIGH 0.1468 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame primary_biliary_cirrhosis GAP_HIGH 0.1468 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.29) proparacaine vitiligo GAP_HIGH 0.1468 0.2857142857142857 phenmetrazine High-priority: Binding assay proparacaine→?; validate in vitiligo cell model. Expected: similar to phenmetrazine (Jaccard=0.29) dipivefrin duodenum_cancer GAP_HIGH 0.1468 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dipivefrin gallbladder_cancer GAP_HIGH 0.1468 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) carvedilol multiple_sclerosis GAP_HIGH 0.1468 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in multiple_sclerosis cell model. Expected: similar to gliclazide (Jaccard=0.21) epinephrine esophageal_cancer GAP_HIGH 0.1468 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) amphetamine hematologic_cancer GAP_HIGH 0.1468 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in hematologic_cancer cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) amphetamine narcolepsy GAP_HIGH 0.1468 0.2 isocarboxazid High-priority: Binding assay amphetamine→?; validate in narcolepsy cell model. Expected: similar to isocarboxazid (Jaccard=0.20) isradipine endogenous_depression GAP_HIGH 0.1468 0.2 gabapentin High-priority: Binding assay isradipine→?; validate in endogenous_depression cell model. Expected: similar to gabapentin (Jaccard=0.20) isradipine psoriasis GAP_HIGH 0.1468 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in psoriasis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine ulcerative_colitis GAP_HIGH 0.1468 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in ulcerative_colitis cell model. Expected: similar to desoximetasone (Jaccard=0.20) l-arginine coronary_artery_disease GAP_HIGH 0.1468 0.2 moexipril High-priority: Binding assay l-arginine→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.20) nisoldipine malignant_mesothelioma GAP_HIGH 0.1468 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in malignant_mesothelioma cell model. Expected: similar to ifenprodil (Jaccard=0.20) ranolazine systemic_scleroderma GAP_HIGH 0.1468 0.1875 tranylcypromine High-priority: Binding assay ranolazine→?; validate in systemic_scleroderma cell model. Expected: similar to tranylcypromine (Jaccard=0.19) glutethimide uterine_cancer GAP_HIGH 0.1468 0.18518518518518517 clobazam High-priority: Binding assay glutethimide→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.19) valsartan osteoporosis GAP_HIGH 0.1468 0.18181818181818182 tolbutamide High-priority: Binding assay valsartan→?; validate in osteoporosis cell model. Expected: similar to tolbutamide (Jaccard=0.18) aciclovir pharynx_cancer GAP_HIGH 0.1468 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) isradipine chronic_kidney_failure GAP_HIGH 0.1468 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in chronic_kidney_failure cell model. Expected: similar to metolazone (Jaccard=0.17) losartan penile_cancer GAP_HIGH 0.1468 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in penile_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) ranolazine gout GAP_HIGH 0.1468 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in gout cell model. Expected: similar to methylphenidate (Jaccard=0.17) ranolazine primary_biliary_cirrhosis GAP_HIGH 0.1468 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.17) gliquidone urinary_bladder_cancer GAP_HIGH 0.1468 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) quazepam muscle_cancer GAP_LOW 0.1468 0.12195121951219512 phensuximide Low-priority: Computational docking quazepam vs muscle_cancer targets. Cross-check quazepam pharmacophore against muscle_cancer pathway. naproxen mediastinal_cancer GAP_HIGH 0.1467 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol melanoma GAP_HIGH 0.1467 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in melanoma cell model. Expected: similar to carbidopa (Jaccard=0.43) pazopanib osteoporosis GAP_HIGH 0.1467 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.42) pazopanib psoriasis GAP_HIGH 0.1467 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.42) tolmetin conduct_disorder GAP_HIGH 0.1467 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in conduct_disorder cell model. Expected: similar to bromfenac (Jaccard=0.39) naloxone vaginal_cancer GAP_HIGH 0.1467 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in vaginal_cancer cell model. Expected: similar to estramustine (Jaccard=0.33) naloxone vulva_cancer GAP_HIGH 0.1467 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in vulva_cancer cell model. Expected: similar to estramustine (Jaccard=0.33) sulfadiazine multiple_sclerosis GAP_HIGH 0.1467 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in multiple_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.33) zidovudine pharynx_cancer GAP_HIGH 0.1467 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in pharynx_cancer cell model. Expected: similar to pentostatin (Jaccard=0.33) phenmetrazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1467 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) sulfanilamide azoospermia GAP_HIGH 0.1467 0.2857142857142857 procaine High-priority: Binding assay sulfanilamide→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.29) carvedilol melanoma GAP_HIGH 0.1467 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in melanoma cell model. Expected: similar to sunitinib (Jaccard=0.20) isradipine multiple_sclerosis GAP_HIGH 0.1467 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in multiple_sclerosis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine osteoporosis GAP_HIGH 0.1467 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in osteoporosis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine ovarian_cancer GAP_HIGH 0.1467 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in ovarian_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine uterine_cancer GAP_HIGH 0.1467 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in uterine_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) metolazone mediastinal_cancer GAP_HIGH 0.1467 0.2 clodronate High-priority: Binding assay metolazone→?; validate in mediastinal_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) streptozocin asthma GAP_HIGH 0.1467 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in asthma cell model. Expected: similar to dipivefrin (Jaccard=0.20) eprosartan hypertension GAP_HIGH 0.1467 0.16666666666666666 solifenacin High-priority: Binding assay eprosartan→?; validate in hypertension cell model. Expected: similar to solifenacin (Jaccard=0.17) flutamide osteoarthritis GAP_HIGH 0.1467 0.16666666666666666 butenafine High-priority: Binding assay flutamide→?; validate in osteoarthritis cell model. Expected: similar to butenafine (Jaccard=0.17) pentostatin larynx_cancer GAP_HIGH 0.1467 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in larynx_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) talbutal rheumatoid_arthritis GAP_LOW 0.1467 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs rheumatoid_arthritis targets. Cross-check talbutal pharmacophore against rheumatoid_arthritis pathway. dinoprost_tromethamine ankylosing_spondylitis GAP_LOW 0.1467 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs ankylosing_spondylitis targets. Cross-check dinoprost_tromethamine pharmacophore against ankylosing_spondylitis pathway. doxycycline thyroid_cancer GAP_LOW 0.1467 0.1 afatinib Low-priority: Computational docking doxycycline vs thyroid_cancer targets. Cross-check doxycycline pharmacophore against thyroid_cancer pathway. talbutal brain_cancer GAP_LOW 0.1467 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs brain_cancer targets. Cross-check talbutal pharmacophore against brain_cancer pathway. talbutal intracranial_aneurysm GAP_LOW 0.1467 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs intracranial_aneurysm targets. Cross-check talbutal pharmacophore against intracranial_aneurysm pathway. doxycycline prostate_cancer GAP_LOW 0.1467 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs prostate_cancer targets. Cross-check doxycycline pharmacophore against prostate_cancer pathway. bromfenac barretts_esophagus GAP_LOW 0.1467 0.0 pantoprazole Low-priority: Computational docking bromfenac vs barretts_esophagus targets. Cross-check bromfenac pharmacophore against barretts_esophagus pathway. triflupromazine barretts_esophagus GAP_LOW 0.1467 0.0 pantoprazole Low-priority: Computational docking triflupromazine vs barretts_esophagus targets. Cross-check triflupromazine pharmacophore against barretts_esophagus pathway. tamoxifen ankylosing_spondylitis GAP_HIGH 0.1466 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.56) naproxen thymus_cancer GAP_HIGH 0.1466 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol duodenum_cancer GAP_HIGH 0.1466 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in duodenum_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) masoprocol gallbladder_cancer GAP_HIGH 0.1466 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in gallbladder_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) tolmetin colon_cancer GAP_HIGH 0.1466 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in colon_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) tolmetin hypertension GAP_HIGH 0.1466 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in hypertension cell model. Expected: similar to bromfenac (Jaccard=0.39) tolmetin stomach_cancer GAP_HIGH 0.1466 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in stomach_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) acenocoumarol vascular_cancer GAP_HIGH 0.1466 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in vascular_cancer cell model. Expected: similar to fosphenytoin (Jaccard=0.35) levonorgestrel salivary_gland_cancer GAP_HIGH 0.1466 0.3333333333333333 progesterone High-priority: Binding assay levonorgestrel→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.33) naloxone testicular_cancer GAP_HIGH 0.1466 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in testicular_cancer cell model. Expected: similar to estramustine (Jaccard=0.33) sulfadiazine migraine GAP_HIGH 0.1466 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in migraine cell model. Expected: similar to olsalazine (Jaccard=0.33) fluorometholone esophageal_cancer GAP_HIGH 0.1466 0.3157894736842105 fludrocortisone High-priority: Binding assay fluorometholone→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.32) tolmetin atherosclerosis GAP_HIGH 0.1466 0.3 naproxen High-priority: Binding assay tolmetin→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.30) norepinephrine ankylosing_spondylitis GAP_HIGH 0.1466 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to droxidopa (Jaccard=0.27) isradipine sarcoma GAP_HIGH 0.1466 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in sarcoma cell model. Expected: similar to desoximetasone (Jaccard=0.20) metolazone gout GAP_HIGH 0.1466 0.2 clodronate High-priority: Binding assay metolazone→?; validate in gout cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone thymus_cancer GAP_HIGH 0.1466 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in thymus_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) streptozocin atopic_dermatitis GAP_HIGH 0.1466 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in atopic_dermatitis cell model. Expected: similar to dipivefrin (Jaccard=0.20) tropicamide lung_cancer GAP_HIGH 0.1466 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) tropicamide rectum_cancer GAP_HIGH 0.1466 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) losartan malignant_mesothelioma GAP_HIGH 0.1466 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in malignant_mesothelioma cell model. Expected: similar to irinotecan (Jaccard=0.17) nelarabine type_1_diabetes_mellitus GAP_LOW 0.1466 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs type_1_diabetes_mellitus targets. Cross-check nelarabine pharmacophore against type_1_diabetes_mellitus pathway. polythiazide head_and_neck_cancer GAP_LOW 0.1466 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs head_and_neck_cancer targets. Cross-check polythiazide pharmacophore against head_and_neck_cancer pathway. polythiazide malignant_glioma GAP_LOW 0.1466 0.14285714285714285 alendronate Low-priority: Computational docking polythiazide vs malignant_glioma targets. Cross-check polythiazide pharmacophore against malignant_glioma pathway. dinoprost_tromethamine chronic_obstructive_pulmonary_disease GAP_LOW 0.1466 0.125 prednicarbate Low-priority: Computational docking dinoprost_tromethamine vs chronic_obstructive_pulmonary_disease targets. Cross-check dinoprost_tromethamine pharmacophore against chronic_obstructive_pulmonary_disease pathway. doxycycline conduct_disorder GAP_LOW 0.1466 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs conduct_disorder targets. Cross-check doxycycline pharmacophore against conduct_disorder pathway. penicillamine metabolic_syndrome_x GAP_LOW 0.1466 0.10526315789473684 l-lysine Low-priority: Computational docking penicillamine vs metabolic_syndrome_x targets. Cross-check penicillamine pharmacophore against metabolic_syndrome_x pathway. dinoprost_tromethamine focal_segmental_glomerulosclerosis GAP_LOW 0.1466 0.1 floctafenine Low-priority: Computational docking dinoprost_tromethamine vs focal_segmental_glomerulosclerosis targets. Cross-check dinoprost_tromethamine pharmacophore against focal_segmental_glomerulosclerosis pathway. pazopanib hypothyroidism GAP_LOW 0.1466 0.08333333333333333 methimazole Low-priority: Computational docking pazopanib vs hypothyroidism targets. Cross-check pazopanib pharmacophore against hypothyroidism pathway. doxycycline azoospermia GAP_LOW 0.1466 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs azoospermia targets. Cross-check doxycycline pharmacophore against azoospermia pathway. aciclovir hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking aciclovir vs hypothyroidism targets. Cross-check aciclovir pharmacophore against hypothyroidism pathway. adenosine hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking adenosine vs hypothyroidism targets. Cross-check adenosine pharmacophore against hypothyroidism pathway. adinazolam hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking adinazolam vs hypothyroidism targets. Cross-check adinazolam pharmacophore against hypothyroidism pathway. flurazepam hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking flurazepam vs hypothyroidism targets. Cross-check flurazepam pharmacophore against hypothyroidism pathway. paricalcitol hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking paricalcitol vs hypothyroidism targets. Cross-check paricalcitol pharmacophore against hypothyroidism pathway. phenylephrine hypothyroidism GAP_LOW 0.1466 0.0 methimazole Low-priority: Computational docking phenylephrine vs hypothyroidism targets. Cross-check phenylephrine pharmacophore against hypothyroidism pathway. tamoxifen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1465 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to benzatropine (Jaccard=0.56) flurbiprofen osteoarthritis GAP_HIGH 0.1465 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in osteoarthritis cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen vaginal_cancer GAP_HIGH 0.1465 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) flurbiprofen vulva_cancer GAP_HIGH 0.1465 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) dimetacrine celiac_disease GAP_HIGH 0.1465 0.5185185185185185 diphenhydramine High-priority: Binding assay dimetacrine→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.52) ethinyl_estradiol peripheral_nervous_system_neoplasm GAP_HIGH 0.1465 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to estrone (Jaccard=0.47) benzphetamine vulva_cancer GAP_HIGH 0.1465 0.45454545454545453 tamoxifen High-priority: Binding assay benzphetamine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.45) azatadine stomach_cancer GAP_HIGH 0.1465 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in stomach_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) tolmetin pancreatic_cancer GAP_HIGH 0.1465 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in pancreatic_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) atropine crohns_disease GAP_HIGH 0.1465 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay atropine→?; validate in crohns_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) naloxone vascular_cancer GAP_HIGH 0.1465 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in vascular_cancer cell model. Expected: similar to estramustine (Jaccard=0.33) selegiline sclerosing_cholangitis GAP_HIGH 0.1465 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in sclerosing_cholangitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) phenmetrazine primary_biliary_cirrhosis GAP_HIGH 0.1465 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) streptozocin allergic_rhinitis GAP_HIGH 0.1465 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in allergic_rhinitis cell model. Expected: similar to dipivefrin (Jaccard=0.20) streptozocin stomach_cancer GAP_HIGH 0.1465 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in stomach_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) tropicamide liver_cancer GAP_HIGH 0.1465 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) tioguanine focal_segmental_glomerulosclerosis GAP_HIGH 0.1465 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to moricizine (Jaccard=0.18) epoprostenol systemic_scleroderma GAP_HIGH 0.1465 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.15) amiloride creutzfeldt-jakob_disease GAP_LOW 0.1465 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs creutzfeldt-jakob_disease targets. Cross-check amiloride pharmacophore against creutzfeldt-jakob_disease pathway. gliquidone hematologic_cancer GAP_LOW 0.1465 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs hematologic_cancer targets. Cross-check gliquidone pharmacophore against hematologic_cancer pathway. gliquidone narcolepsy GAP_LOW 0.1465 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs narcolepsy targets. Cross-check gliquidone pharmacophore against narcolepsy pathway. dronedarone vitiligo GAP_LOW 0.1465 0.125 ifenprodil Low-priority: Computational docking dronedarone vs vitiligo targets. Cross-check dronedarone pharmacophore against vitiligo pathway. quinapril gilles_de_la_tourette_syndrome GAP_LOW 0.1465 0.125 alvimopan Low-priority: Computational docking quinapril vs gilles_de_la_tourette_syndrome targets. Cross-check quinapril pharmacophore against gilles_de_la_tourette_syndrome pathway. dihomo-gamma-linolenic_acid brain_cancer GAP_LOW 0.1465 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs brain_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against brain_cancer pathway. dihomo-gamma-linolenic_acid intracranial_aneurysm GAP_LOW 0.1465 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs intracranial_aneurysm targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against intracranial_aneurysm pathway. tamoxifen epilepsy_syndrome GAP_HIGH 0.1464 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in epilepsy_syndrome cell model. Expected: similar to benzatropine (Jaccard=0.56) flurbiprofen testicular_cancer GAP_HIGH 0.1464 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in testicular_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.53) azatadine pancreatic_cancer GAP_HIGH 0.1464 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in pancreatic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine ulcerative_colitis GAP_HIGH 0.1464 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in ulcerative_colitis cell model. Expected: similar to pirenzepine (Jaccard=0.43) tolmetin endogenous_depression GAP_HIGH 0.1464 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in endogenous_depression cell model. Expected: similar to bromfenac (Jaccard=0.39) anileridine rheumatoid_arthritis GAP_HIGH 0.1464 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) acenocoumarol systemic_scleroderma GAP_HIGH 0.1464 0.35294117647058826 fosphenytoin High-priority: Binding assay acenocoumarol→?; validate in systemic_scleroderma cell model. Expected: similar to fosphenytoin (Jaccard=0.35) arbutamine duodenum_cancer GAP_HIGH 0.1464 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in duodenum_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) arbutamine gallbladder_cancer GAP_HIGH 0.1464 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in gallbladder_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) arbutamine melanoma GAP_HIGH 0.1464 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in melanoma cell model. Expected: similar to droxidopa (Jaccard=0.35) zidovudine thyroid_cancer GAP_HIGH 0.1464 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in thyroid_cancer cell model. Expected: similar to pentostatin (Jaccard=0.33) fenbufen malignant_mesothelioma GAP_HIGH 0.1464 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.27) doxapram pharynx_cancer GAP_HIGH 0.1464 0.23529411764705882 phenylbutazone High-priority: Binding assay doxapram→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) methyclothiazide kidney_cancer GAP_HIGH 0.1464 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) ibuprofen alzheimers_disease GAP_HIGH 0.1464 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in alzheimers_disease cell model. Expected: similar to ketoprofen (Jaccard=0.20) ibuprofen parkinsons_disease GAP_HIGH 0.1464 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in parkinsons_disease cell model. Expected: similar to ketoprofen (Jaccard=0.20) isradipine systemic_lupus_erythematosus GAP_HIGH 0.1464 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desoximetasone (Jaccard=0.20) streptozocin psoriasis GAP_HIGH 0.1464 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in psoriasis cell model. Expected: similar to dipivefrin (Jaccard=0.20) tioguanine gilles_de_la_tourette_syndrome GAP_HIGH 0.1464 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to moricizine (Jaccard=0.18) estriol pancreatitis GAP_HIGH 0.1464 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.17) estropipate malignant_mesothelioma GAP_HIGH 0.1464 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.17) nimodipine malaria GAP_LOW 0.1464 0.14285714285714285 primidone Low-priority: Computational docking nimodipine vs malaria targets. Cross-check nimodipine pharmacophore against malaria pathway. talbutal psoriatic_arthritis GAP_LOW 0.1464 0.14285714285714285 chlorphenesin Low-priority: Computational docking talbutal vs psoriatic_arthritis targets. Cross-check talbutal pharmacophore against psoriatic_arthritis pathway. gliquidone esophageal_cancer GAP_LOW 0.1464 0.11764705882352941 melphalan Low-priority: Computational docking gliquidone vs esophageal_cancer targets. Cross-check gliquidone pharmacophore against esophageal_cancer pathway. aminoglutethimide glaucoma GAP_LOW 0.1464 0.11538461538461539 pseudoephedrine Low-priority: Computational docking aminoglutethimide vs glaucoma targets. Cross-check aminoglutethimide pharmacophore against glaucoma pathway. quazepam mediastinal_cancer GAP_LOW 0.1464 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs mediastinal_cancer targets. Cross-check quazepam pharmacophore against mediastinal_cancer pathway. doxycycline bipolar_disorder GAP_LOW 0.1464 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs bipolar_disorder targets. Cross-check doxycycline pharmacophore against bipolar_disorder pathway. doxycycline primary_biliary_cirrhosis GAP_LOW 0.1464 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs primary_biliary_cirrhosis targets. Cross-check doxycycline pharmacophore against primary_biliary_cirrhosis pathway. testosterone pagets_disease_of_bone GAP_LOW 0.1464 0.09090909090909091 histamine_phosphate Low-priority: Computational docking testosterone vs pagets_disease_of_bone targets. Cross-check testosterone pharmacophore against pagets_disease_of_bone pathway. doxycycline type_1_diabetes_mellitus GAP_LOW 0.1464 0.06666666666666667 salicylate-sodium Low-priority: Computational docking doxycycline vs type_1_diabetes_mellitus targets. Cross-check doxycycline pharmacophore against type_1_diabetes_mellitus pathway. gliquidone dilated_cardiomyopathy GAP_LOW 0.1464 0.06666666666666667 trandolapril Low-priority: Computational docking gliquidone vs dilated_cardiomyopathy targets. Cross-check gliquidone pharmacophore against dilated_cardiomyopathy pathway. succinic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1464 0.06451612903225806 acetylcysteine Low-priority: Computational docking succinic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check succinic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. succinic_acid refractive_error GAP_LOW 0.1464 0.05 epinephrine Low-priority: Computational docking succinic_acid vs refractive_error targets. Cross-check succinic_acid pharmacophore against refractive_error pathway. caffeine acquired_immunodeficiency_syndrome GAP_LOW 0.1464 0.045454545454545456 clofarabine Low-priority: Computational docking caffeine vs acquired_immunodeficiency_syndrome targets. Cross-check caffeine pharmacophore against acquired_immunodeficiency_syndrome pathway. butabarbital dilated_cardiomyopathy GAP_LOW 0.1464 0.04 rimexolone Low-priority: Computational docking butabarbital vs dilated_cardiomyopathy targets. Cross-check butabarbital pharmacophore against dilated_cardiomyopathy pathway. temazepam hematologic_cancer GAP_HIGH 0.1463 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) azatadine uterine_cancer GAP_HIGH 0.1463 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in uterine_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) masoprocol sclerosing_cholangitis GAP_HIGH 0.1463 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in sclerosing_cholangitis cell model. Expected: similar to carbidopa (Jaccard=0.43) cyclizine melanoma GAP_HIGH 0.1463 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.42) docetaxel multiple_sclerosis GAP_HIGH 0.1463 0.4 rasagiline High-priority: Binding assay docetaxel→?; validate in multiple_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.40) tolmetin ovarian_cancer GAP_HIGH 0.1463 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in ovarian_cancer cell model. Expected: similar to bromfenac (Jaccard=0.39) lidocaine restless_legs_syndrome GAP_HIGH 0.1463 0.375 chloroprocaine High-priority: Binding assay lidocaine→?; validate in restless_legs_syndrome cell model. Expected: similar to chloroprocaine (Jaccard=0.38) vinblastine testicular_cancer GAP_HIGH 0.1463 0.375 vindesine High-priority: Binding assay vinblastine→?; validate in testicular_cancer cell model. Expected: similar to vindesine (Jaccard=0.38) dasatinib psoriatic_arthritis GAP_HIGH 0.1463 0.3157894736842105 sorafenib High-priority: Binding assay dasatinib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.32) terbutaline crohns_disease GAP_HIGH 0.1463 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.31) isoetarine penile_cancer GAP_HIGH 0.1463 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.27) carvedilol osteoarthritis GAP_HIGH 0.1463 0.21428571428571427 gliclazide High-priority: Binding assay carvedilol→?; validate in osteoarthritis cell model. Expected: similar to gliclazide (Jaccard=0.21) methsuximide meningioma GAP_HIGH 0.1463 0.20833333333333334 phenylbutazone High-priority: Binding assay methsuximide→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.21) streptozocin uterine_cancer GAP_HIGH 0.1463 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in uterine_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) tofisopam liver_cancer GAP_HIGH 0.1463 0.2 naftifine High-priority: Binding assay tofisopam→?; validate in liver_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) aminocaproic_acid salivary_gland_cancer GAP_HIGH 0.1463 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) glutethimide vaginal_cancer GAP_HIGH 0.1463 0.18518518518518517 clobazam High-priority: Binding assay glutethimide→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.19) glutethimide vulva_cancer GAP_HIGH 0.1463 0.18518518518518517 clobazam High-priority: Binding assay glutethimide→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.19) halazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1463 0.18181818181818182 chlorthalidone High-priority: Binding assay halazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.18) nilvadipine osteoarthritis GAP_HIGH 0.1463 0.18181818181818182 difenoxin High-priority: Binding assay nilvadipine→?; validate in osteoarthritis cell model. Expected: similar to difenoxin (Jaccard=0.18) vapreotide coronary_artery_disease GAP_HIGH 0.1463 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in coronary_artery_disease cell model. Expected: similar to deferasirox (Jaccard=0.18) telbivudine larynx_cancer GAP_LOW 0.1463 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs larynx_cancer targets. Cross-check telbivudine pharmacophore against larynx_cancer pathway. quazepam thymus_cancer GAP_LOW 0.1463 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs thymus_cancer targets. Cross-check quazepam pharmacophore against thymus_cancer pathway. doxycycline endogenous_depression GAP_LOW 0.1463 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs endogenous_depression targets. Cross-check doxycycline pharmacophore against endogenous_depression pathway. doxycycline salivary_gland_cancer GAP_LOW 0.1463 0.1 afatinib Low-priority: Computational docking doxycycline vs salivary_gland_cancer targets. Cross-check doxycycline pharmacophore against salivary_gland_cancer pathway. carbinoxamine barretts_esophagus GAP_LOW 0.1463 0.0 pantoprazole Low-priority: Computational docking carbinoxamine vs barretts_esophagus targets. Cross-check carbinoxamine pharmacophore against barretts_esophagus pathway. gliclazide pagets_disease_of_bone GAP_LOW 0.1463 0.0 ibandronate Low-priority: Computational docking gliclazide vs pagets_disease_of_bone targets. Cross-check gliclazide pharmacophore against pagets_disease_of_bone pathway. loratadine pagets_disease_of_bone GAP_LOW 0.1463 0.0 ibandronate Low-priority: Computational docking loratadine vs pagets_disease_of_bone targets. Cross-check loratadine pharmacophore against pagets_disease_of_bone pathway. olsalazine barretts_esophagus GAP_LOW 0.1463 0.0 pantoprazole Low-priority: Computational docking olsalazine vs barretts_esophagus targets. Cross-check olsalazine pharmacophore against barretts_esophagus pathway. tolazamide pagets_disease_of_bone GAP_LOW 0.1463 0.0 ibandronate Low-priority: Computational docking tolazamide vs pagets_disease_of_bone targets. Cross-check tolazamide pharmacophore against pagets_disease_of_bone pathway. nateglinide type_2_diabetes_mellitus GAP_HIGH 0.1462 0.5555555555555556 phenelzine High-priority: Binding assay nateglinide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenelzine (Jaccard=0.56) pazopanib osteoarthritis GAP_HIGH 0.1462 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.42) bromodiphenhydramine vaginal_cancer GAP_HIGH 0.1462 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in vaginal_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) bromodiphenhydramine vulva_cancer GAP_HIGH 0.1462 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in vulva_cancer cell model. Expected: similar to promethazine (Jaccard=0.40) tolmetin sarcoma GAP_HIGH 0.1462 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in sarcoma cell model. Expected: similar to bromfenac (Jaccard=0.39) anileridine psoriatic_arthritis GAP_HIGH 0.1462 0.35714285714285715 cyclopentolate High-priority: Binding assay anileridine→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclopentolate (Jaccard=0.36) naloxone uterine_fibroid GAP_HIGH 0.1462 0.3333333333333333 estramustine High-priority: Binding assay naloxone→?; validate in uterine_fibroid cell model. Expected: similar to estramustine (Jaccard=0.33) voacamine malignant_glioma GAP_HIGH 0.1462 0.3333333333333333 vinblastine High-priority: Binding assay voacamine→?; validate in malignant_glioma cell model. Expected: similar to vinblastine (Jaccard=0.33) ketazolam urinary_bladder_cancer GAP_HIGH 0.1462 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.30) phenylephrine duodenum_cancer GAP_HIGH 0.1462 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) phenylephrine gallbladder_cancer GAP_HIGH 0.1462 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) norepinephrine pancreatitis GAP_HIGH 0.1462 0.26666666666666666 droxidopa High-priority: Binding assay norepinephrine→?; validate in pancreatitis cell model. Expected: similar to droxidopa (Jaccard=0.27) dopamine prostate_cancer GAP_HIGH 0.1462 0.25 vincristine High-priority: Binding assay dopamine→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) captopril duodenum_cancer GAP_HIGH 0.1462 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) captopril gallbladder_cancer GAP_HIGH 0.1462 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) isradipine osteoarthritis GAP_HIGH 0.1462 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in osteoarthritis cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine skin_cancer GAP_HIGH 0.1462 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in skin_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) nisoldipine meningioma GAP_HIGH 0.1462 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.20) streptozocin sarcoma GAP_HIGH 0.1462 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in sarcoma cell model. Expected: similar to lenalidomide (Jaccard=0.20) aminocaproic_acid muscle_cancer GAP_HIGH 0.1462 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) ibuprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1462 0.18181818181818182 epinephrine High-priority: Binding assay ibuprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.18) aciclovir salivary_gland_cancer GAP_HIGH 0.1462 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) candesartan asthma GAP_HIGH 0.1462 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in asthma cell model. Expected: similar to menadione (Jaccard=0.17) candesartan conduct_disorder GAP_HIGH 0.1462 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in conduct_disorder cell model. Expected: similar to menadione (Jaccard=0.17) nimodipine focal_segmental_glomerulosclerosis GAP_HIGH 0.1462 0.16666666666666666 metolazone High-priority: Binding assay nimodipine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to metolazone (Jaccard=0.17) arformoterol bone_cancer GAP_LOW 0.1462 0.14285714285714285 clodronate Low-priority: Computational docking arformoterol vs bone_cancer targets. Cross-check arformoterol pharmacophore against bone_cancer pathway. penicillamine obesity GAP_LOW 0.1462 0.10526315789473684 l-lysine Low-priority: Computational docking penicillamine vs obesity targets. Cross-check penicillamine pharmacophore against obesity pathway. methylphenobarbital atherosclerosis GAP_LOW 0.1462 0.1 fenoprofen Low-priority: Computational docking methylphenobarbital vs atherosclerosis targets. Cross-check methylphenobarbital pharmacophore against atherosclerosis pathway. riboflavin brain_cancer GAP_LOW 0.1462 0.1 epirubicin Low-priority: Computational docking riboflavin vs brain_cancer targets. Cross-check riboflavin pharmacophore against brain_cancer pathway. riboflavin intracranial_aneurysm GAP_LOW 0.1462 0.1 epirubicin Low-priority: Computational docking riboflavin vs intracranial_aneurysm targets. Cross-check riboflavin pharmacophore against intracranial_aneurysm pathway. sodium_tetradecyl_sulfate primary_biliary_cirrhosis GAP_LOW 0.1462 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs primary_biliary_cirrhosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against primary_biliary_cirrhosis pathway. chlorprothixene skin_cancer GAP_HIGH 0.1461 0.5333333333333333 flurbiprofen High-priority: Binding assay chlorprothixene→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.53) ethinyl_estradiol hypertension GAP_HIGH 0.1461 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in hypertension cell model. Expected: similar to estrone (Jaccard=0.47) medrysone malignant_mesothelioma GAP_HIGH 0.1461 0.42857142857142855 hydrocortisone High-priority: Binding assay medrysone→?; validate in malignant_mesothelioma cell model. Expected: similar to hydrocortisone (Jaccard=0.43) antazoline germ_cell_cancer GAP_HIGH 0.1461 0.3333333333333333 tamoxifen High-priority: Binding assay antazoline→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) zidovudine salivary_gland_cancer GAP_HIGH 0.1461 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in salivary_gland_cancer cell model. Expected: similar to pentostatin (Jaccard=0.33) dasatinib metabolic_syndrome_x GAP_HIGH 0.1461 0.3076923076923077 captopril High-priority: Binding assay dasatinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to captopril (Jaccard=0.31) antipyrine atherosclerosis GAP_HIGH 0.1461 0.2222222222222222 flurbiprofen High-priority: Binding assay antipyrine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.22) epinephrine type_1_diabetes_mellitus GAP_HIGH 0.1461 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to olsalazine (Jaccard=0.21) methyclothiazide celiac_disease GAP_HIGH 0.1461 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.21) ibuprofen attention_deficit_hyperactivity_disorder GAP_HIGH 0.1461 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.20) isradipine testicular_cancer GAP_HIGH 0.1461 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in testicular_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine vaginal_cancer GAP_HIGH 0.1461 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in vaginal_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) isradipine vulva_cancer GAP_HIGH 0.1461 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in vulva_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) vorinostat osteoporosis GAP_HIGH 0.1461 0.2 histamine_phosphate High-priority: Binding assay vorinostat→?; validate in osteoporosis cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) emtricitabine ankylosing_spondylitis GAP_HIGH 0.1461 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) nilvadipine melanoma GAP_HIGH 0.1461 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) carprofen type_1_diabetes_mellitus GAP_HIGH 0.1461 0.15384615384615385 gliquidone High-priority: Binding assay carprofen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.15) epoprostenol restless_legs_syndrome GAP_HIGH 0.1461 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.15) gliquidone uterine_cancer GAP_HIGH 0.1461 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) tropicamide malaria GAP_HIGH 0.1461 0.15384615384615385 phenobarbital High-priority: Binding assay tropicamide→?; validate in malaria cell model. Expected: similar to phenobarbital (Jaccard=0.15) trimethoprim chronic_kidney_failure GAP_LOW 0.1461 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs chronic_kidney_failure targets. Cross-check trimethoprim pharmacophore against chronic_kidney_failure pathway. tropicamide dilated_cardiomyopathy GAP_LOW 0.1461 0.125 drospirenone Low-priority: Computational docking tropicamide vs dilated_cardiomyopathy targets. Cross-check tropicamide pharmacophore against dilated_cardiomyopathy pathway. amobarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1461 0.11764705882352941 ephedrine Low-priority: Computational docking amobarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check amobarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. doxycycline lung_cancer GAP_LOW 0.1461 0.1 afatinib Low-priority: Computational docking doxycycline vs lung_cancer targets. Cross-check doxycycline pharmacophore against lung_cancer pathway. doxycycline rectum_cancer GAP_LOW 0.1461 0.1 afatinib Low-priority: Computational docking doxycycline vs rectum_cancer targets. Cross-check doxycycline pharmacophore against rectum_cancer pathway. vapreotide gestational_diabetes GAP_LOW 0.1461 0.1 zafirlukast Low-priority: Computational docking vapreotide vs gestational_diabetes targets. Cross-check vapreotide pharmacophore against gestational_diabetes pathway. penicillamine crohns_disease GAP_LOW 0.1461 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs crohns_disease targets. Cross-check penicillamine pharmacophore against crohns_disease pathway. alpha-linolenic_acid hematologic_cancer GAP_LOW 0.1461 0.06666666666666667 salicylate-sodium Low-priority: Computational docking alpha-linolenic_acid vs hematologic_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against hematologic_cancer pathway. doxycycline glaucoma GAP_LOW 0.1461 0.06666666666666667 salicylate-sodium Low-priority: Computational docking doxycycline vs glaucoma targets. Cross-check doxycycline pharmacophore against glaucoma pathway. l-cystine esophageal_cancer GAP_LOW 0.1461 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs esophageal_cancer targets. Cross-check l-cystine pharmacophore against esophageal_cancer pathway. flurbiprofen uterine_fibroid GAP_HIGH 0.146 0.5333333333333333 chlorprothixene High-priority: Binding assay flurbiprofen→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.53) pheniramine ulcerative_colitis GAP_HIGH 0.146 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in ulcerative_colitis cell model. Expected: similar to clofedanol (Jaccard=0.53) dimetacrine esophageal_cancer GAP_HIGH 0.146 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) moricizine malignant_mesothelioma GAP_HIGH 0.146 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.41) arbutamine sclerosing_cholangitis GAP_HIGH 0.146 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to droxidopa (Jaccard=0.35) afatinib esophageal_cancer GAP_HIGH 0.146 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in esophageal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.33) selegiline ankylosing_spondylitis GAP_HIGH 0.146 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan creutzfeldt-jakob_disease GAP_HIGH 0.146 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay topotecan→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) zidovudine muscle_cancer GAP_HIGH 0.146 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in muscle_cancer cell model. Expected: similar to pentostatin (Jaccard=0.33) estradiol_valeratedienogest type_1_diabetes_mellitus GAP_HIGH 0.146 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.31) isoetarine malignant_mesothelioma GAP_HIGH 0.146 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.27) dopamine mediastinal_cancer GAP_HIGH 0.146 0.25 vincristine High-priority: Binding assay dopamine→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) dopamine primary_biliary_cirrhosis GAP_HIGH 0.146 0.25 vincristine High-priority: Binding assay dopamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vincristine (Jaccard=0.25) milnacipran mediastinal_cancer GAP_HIGH 0.146 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) methsuximide thyroid_cancer GAP_HIGH 0.146 0.21875 chlorcyclizine High-priority: Binding assay methsuximide→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) isradipine vascular_cancer GAP_HIGH 0.146 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in vascular_cancer cell model. Expected: similar to desoximetasone (Jaccard=0.20) remifentanil germ_cell_cancer GAP_HIGH 0.146 0.2 tamoxifen High-priority: Binding assay remifentanil→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) dihomo-gamma-linolenic_acid psoriatic_arthritis GAP_HIGH 0.146 0.16666666666666666 acetyldigitoxin High-priority: Binding assay dihomo-gamma-linolenic_acid→?; validate in psoriatic_arthritis cell model. Expected: similar to acetyldigitoxin (Jaccard=0.17) estriol parkinsons_disease GAP_HIGH 0.146 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in parkinsons_disease cell model. Expected: similar to raloxifene (Jaccard=0.17) losartan meningioma GAP_HIGH 0.146 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in meningioma cell model. Expected: similar to irinotecan (Jaccard=0.17) estriol azoospermia GAP_LOW 0.146 0.14285714285714285 dienestrol Low-priority: Computational docking estriol vs azoospermia targets. Cross-check estriol pharmacophore against azoospermia pathway. doxycycline ocular_cancer GAP_LOW 0.146 0.1 afatinib Low-priority: Computational docking doxycycline vs ocular_cancer targets. Cross-check doxycycline pharmacophore against ocular_cancer pathway. metolazone leprosy GAP_LOW 0.146 0.1 sulfamethizole Low-priority: Computational docking metolazone vs leprosy targets. Cross-check metolazone pharmacophore against leprosy pathway. penicillamine membranous_glomerulonephritis GAP_LOW 0.146 0.08 calcium_acetate Low-priority: Computational docking penicillamine vs membranous_glomerulonephritis targets. Cross-check penicillamine pharmacophore against membranous_glomerulonephritis pathway. doxycycline kidney_cancer GAP_LOW 0.146 0.07142857142857142 docetaxel Low-priority: Computational docking doxycycline vs kidney_cancer targets. Cross-check doxycycline pharmacophore against kidney_cancer pathway. nateglinide rheumatoid_arthritis GAP_HIGH 0.1459 0.5555555555555556 phenelzine High-priority: Binding assay nateglinide→?; validate in rheumatoid_arthritis cell model. Expected: similar to phenelzine (Jaccard=0.56) pheniramine uterine_cancer GAP_HIGH 0.1459 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in uterine_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) oxaprozin duodenum_cancer GAP_HIGH 0.1459 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) oxaprozin gallbladder_cancer GAP_HIGH 0.1459 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) cyclizine sclerosing_cholangitis GAP_HIGH 0.1459 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in sclerosing_cholangitis cell model. Expected: similar to benzatropine (Jaccard=0.42) gemcitabine head_and_neck_cancer GAP_HIGH 0.1459 0.3333333333333333 capecitabine High-priority: Binding assay gemcitabine→?; validate in head_and_neck_cancer cell model. Expected: similar to capecitabine (Jaccard=0.33) gemcitabine malignant_glioma GAP_HIGH 0.1459 0.3333333333333333 capecitabine High-priority: Binding assay gemcitabine→?; validate in malignant_glioma cell model. Expected: similar to capecitabine (Jaccard=0.33) mestranol head_and_neck_cancer GAP_HIGH 0.1459 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in head_and_neck_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) fluorometholone type_1_diabetes_mellitus GAP_HIGH 0.1459 0.3157894736842105 fludrocortisone High-priority: Binding assay fluorometholone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.32) cladribine osteoarthritis GAP_HIGH 0.1459 0.3 ribavirin High-priority: Binding assay cladribine→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.30) anileridine malaria GAP_HIGH 0.1459 0.2777777777777778 methylphenobarbital High-priority: Binding assay anileridine→?; validate in malaria cell model. Expected: similar to methylphenobarbital (Jaccard=0.28) dopamine thymus_cancer GAP_HIGH 0.1459 0.25 vincristine High-priority: Binding assay dopamine→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.25) milnacipran thymus_cancer GAP_HIGH 0.1459 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) nisoldipine crohns_disease GAP_HIGH 0.1459 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in crohns_disease cell model. Expected: similar to ifenprodil (Jaccard=0.20) aminocaproic_acid alzheimers_disease GAP_HIGH 0.1459 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid parkinsons_disease GAP_HIGH 0.1459 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.20) aciclovir ocular_cancer GAP_HIGH 0.1459 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) candesartan osteoporosis GAP_HIGH 0.1459 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in osteoporosis cell model. Expected: similar to menadione (Jaccard=0.17) estriol amyotrophic_lateral_sclerosis GAP_HIGH 0.1459 0.16666666666666666 raloxifene High-priority: Binding assay estriol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to raloxifene (Jaccard=0.17) nicardipine thyroid_cancer GAP_HIGH 0.1459 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nicardipine meningioma GAP_HIGH 0.1459 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.15) spirapril gout GAP_LOW 0.1459 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs gout targets. Cross-check spirapril pharmacophore against gout pathway. caffeine ankylosing_spondylitis GAP_LOW 0.1459 0.13333333333333333 azatadine Low-priority: Computational docking caffeine vs ankylosing_spondylitis targets. Cross-check caffeine pharmacophore against ankylosing_spondylitis pathway. methylphenobarbital esophageal_cancer GAP_LOW 0.1459 0.125 tamoxifen Low-priority: Computational docking methylphenobarbital vs esophageal_cancer targets. Cross-check methylphenobarbital pharmacophore against esophageal_cancer pathway. doxycycline metabolic_syndrome_x GAP_LOW 0.1459 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs metabolic_syndrome_x targets. Cross-check doxycycline pharmacophore against metabolic_syndrome_x pathway. aminophenazone glaucoma GAP_LOW 0.1459 0.09090909090909091 bevantolol Low-priority: Computational docking aminophenazone vs glaucoma targets. Cross-check aminophenazone pharmacophore against glaucoma pathway. heptabarbital larynx_cancer GAP_LOW 0.1459 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs larynx_cancer targets. Cross-check heptabarbital pharmacophore against larynx_cancer pathway. doxycycline nephrolithiasis GAP_LOW 0.1459 0.07142857142857142 docetaxel Low-priority: Computational docking doxycycline vs nephrolithiasis targets. Cross-check doxycycline pharmacophore against nephrolithiasis pathway. pentobarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1459 0.058823529411764705 lisinopril Low-priority: Computational docking pentobarbital vs acquired_immunodeficiency_syndrome targets. Cross-check pentobarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. aminoglutethimide dilated_cardiomyopathy GAP_LOW 0.1459 0.05 rimexolone Low-priority: Computational docking aminoglutethimide vs dilated_cardiomyopathy targets. Cross-check aminoglutethimide pharmacophore against dilated_cardiomyopathy pathway. acepromazine barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking acepromazine vs barretts_esophagus targets. Cross-check acepromazine pharmacophore against barretts_esophagus pathway. chlorpromazine barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking chlorpromazine vs barretts_esophagus targets. Cross-check chlorpromazine pharmacophore against barretts_esophagus pathway. clomipramine barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking clomipramine vs barretts_esophagus targets. Cross-check clomipramine pharmacophore against barretts_esophagus pathway. doxycycline alcohol_dependence GAP_LOW 0.1459 0.0 midazolam Low-priority: Computational docking doxycycline vs alcohol_dependence targets. Cross-check doxycycline pharmacophore against alcohol_dependence pathway. moricizine barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking moricizine vs barretts_esophagus targets. Cross-check moricizine pharmacophore against barretts_esophagus pathway. nateglinide barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking nateglinide vs barretts_esophagus targets. Cross-check nateglinide pharmacophore against barretts_esophagus pathway. propranolol barretts_esophagus GAP_LOW 0.1459 0.0 pantoprazole Low-priority: Computational docking propranolol vs barretts_esophagus targets. Cross-check propranolol pharmacophore against barretts_esophagus pathway. masoprocol ankylosing_spondylitis GAP_HIGH 0.1458 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in ankylosing_spondylitis cell model. Expected: similar to carbidopa (Jaccard=0.43) clonidine melanoma GAP_HIGH 0.1458 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.41) propiomazine celiac_disease GAP_HIGH 0.1458 0.4 mepenzolate High-priority: Binding assay propiomazine→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.40) tripelennamine membranous_glomerulonephritis GAP_HIGH 0.1458 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alimemazine (Jaccard=0.33) zidovudine ocular_cancer GAP_HIGH 0.1458 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in ocular_cancer cell model. Expected: similar to pentostatin (Jaccard=0.33) diethylpropion hepatitis_b GAP_HIGH 0.1458 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.29) pemetrexed narcolepsy GAP_HIGH 0.1458 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.25) regadenoson esophageal_cancer GAP_HIGH 0.1458 0.21052631578947367 gemcitabine High-priority: Binding assay regadenoson→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.21) anisindione gout GAP_HIGH 0.1458 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in gout cell model. Expected: similar to carbamazepine (Jaccard=0.20) captopril creutzfeldt-jakob_disease GAP_HIGH 0.1458 0.2 moexipril High-priority: Binding assay captopril→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.20) ibuprofen conduct_disorder GAP_HIGH 0.1458 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in conduct_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.20) ibuprofen panic_disorder GAP_HIGH 0.1458 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in panic_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.20) ibuprofen schizophrenia GAP_HIGH 0.1458 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in schizophrenia cell model. Expected: similar to ketoprofen (Jaccard=0.20) lercanidipine vitiligo GAP_HIGH 0.1458 0.2 pimozide High-priority: Binding assay lercanidipine→?; validate in vitiligo cell model. Expected: similar to pimozide (Jaccard=0.20) streptozocin skin_cancer GAP_HIGH 0.1458 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in skin_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) tropicamide stomach_cancer GAP_HIGH 0.1458 0.2 oxaprozin High-priority: Binding assay tropicamide→?; validate in stomach_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.20) aminocaproic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.1458 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.20) losartan epilepsy_syndrome GAP_HIGH 0.1458 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.18) candesartan multiple_sclerosis GAP_HIGH 0.1458 0.16666666666666666 menadione High-priority: Binding assay candesartan→?; validate in multiple_sclerosis cell model. Expected: similar to menadione (Jaccard=0.17) nicardipine epilepsy_syndrome GAP_HIGH 0.1458 0.16666666666666666 aminophenazone High-priority: Binding assay nicardipine→?; validate in epilepsy_syndrome cell model. Expected: similar to aminophenazone (Jaccard=0.17) epoprostenol rheumatoid_arthritis GAP_HIGH 0.1458 0.15384615384615385 estrone High-priority: Binding assay epoprostenol→?; validate in rheumatoid_arthritis cell model. Expected: similar to estrone (Jaccard=0.15) losartan brain_cancer GAP_LOW 0.1458 0.14285714285714285 doxorubicin Low-priority: Computational docking losartan vs brain_cancer targets. Cross-check losartan pharmacophore against brain_cancer pathway. losartan intracranial_aneurysm GAP_LOW 0.1458 0.14285714285714285 doxorubicin Low-priority: Computational docking losartan vs intracranial_aneurysm targets. Cross-check losartan pharmacophore against intracranial_aneurysm pathway. caffeine hematologic_cancer GAP_LOW 0.1458 0.125 valrubicin Low-priority: Computational docking caffeine vs hematologic_cancer targets. Cross-check caffeine pharmacophore against hematologic_cancer pathway. carvedilol lymphatic_system_cancer GAP_LOW 0.1458 0.125 vinblastine Low-priority: Computational docking carvedilol vs lymphatic_system_cancer targets. Cross-check carvedilol pharmacophore against lymphatic_system_cancer pathway. spirapril refractive_error GAP_LOW 0.1458 0.125 epinephrine Low-priority: Computational docking spirapril vs refractive_error targets. Cross-check spirapril pharmacophore against refractive_error pathway. talbutal malignant_glioma GAP_LOW 0.1458 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs malignant_glioma targets. Cross-check talbutal pharmacophore against malignant_glioma pathway. dinoprost_tromethamine gestational_diabetes GAP_LOW 0.1458 0.043478260869565216 bezafibrate Low-priority: Computational docking dinoprost_tromethamine vs gestational_diabetes targets. Cross-check dinoprost_tromethamine pharmacophore against gestational_diabetes pathway. ethinyl_estradiol sarcoma GAP_HIGH 0.1457 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in sarcoma cell model. Expected: similar to estrone (Jaccard=0.47) azatadine testicular_cancer GAP_HIGH 0.1457 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in testicular_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine vaginal_cancer GAP_HIGH 0.1457 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in vaginal_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) azatadine vulva_cancer GAP_HIGH 0.1457 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in vulva_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.43) clonidine duodenum_cancer GAP_HIGH 0.1457 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) clonidine gallbladder_cancer GAP_HIGH 0.1457 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) bromodiphenhydramine uterine_fibroid GAP_HIGH 0.1457 0.4 promethazine High-priority: Binding assay bromodiphenhydramine→?; validate in uterine_fibroid cell model. Expected: similar to promethazine (Jaccard=0.40) propafenone focal_segmental_glomerulosclerosis GAP_HIGH 0.1457 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propranolol (Jaccard=0.39) dextroamphetamine glaucoma GAP_HIGH 0.1457 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) phenindamine prostate_cancer GAP_HIGH 0.1457 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) dasatinib obesity GAP_HIGH 0.1457 0.3076923076923077 captopril High-priority: Binding assay dasatinib→?; validate in obesity cell model. Expected: similar to captopril (Jaccard=0.31) olsalazine leprosy GAP_HIGH 0.1457 0.2916666666666667 sulfapyridine High-priority: Binding assay olsalazine→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.29) aspartame duodenum_cancer GAP_HIGH 0.1457 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame gallbladder_cancer GAP_HIGH 0.1457 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) gliclazide crohns_disease GAP_HIGH 0.1457 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) dopamine narcolepsy GAP_HIGH 0.1457 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.25) milnacipran hematologic_cancer GAP_HIGH 0.1457 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) doxapram salivary_gland_cancer GAP_HIGH 0.1457 0.23529411764705882 phenylbutazone High-priority: Binding assay doxapram→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) ibuprofen hypertension GAP_HIGH 0.1457 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in hypertension cell model. Expected: similar to ketoprofen (Jaccard=0.20) isradipine uterine_fibroid GAP_HIGH 0.1457 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in uterine_fibroid cell model. Expected: similar to desoximetasone (Jaccard=0.20) streptozocin testicular_cancer GAP_HIGH 0.1457 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in testicular_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) streptozocin vaginal_cancer GAP_HIGH 0.1457 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in vaginal_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) streptozocin vulva_cancer GAP_HIGH 0.1457 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in vulva_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) tafluprost ankylosing_spondylitis GAP_HIGH 0.1457 0.2 azatadine High-priority: Binding assay tafluprost→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.20) tropicamide pancreatic_cancer GAP_HIGH 0.1457 0.2 oxaprozin High-priority: Binding assay tropicamide→?; validate in pancreatic_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.20) aminocaproic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1457 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.20) tioguanine brain_cancer GAP_HIGH 0.1457 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in brain_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) tioguanine intracranial_aneurysm GAP_HIGH 0.1457 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in intracranial_aneurysm cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) aciclovir autistic_disorder GAP_HIGH 0.1457 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in autistic_disorder cell model. Expected: similar to aspartame (Jaccard=0.17) aciclovir nicotine_dependence GAP_HIGH 0.1457 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in nicotine_dependence cell model. Expected: similar to aspartame (Jaccard=0.17) ranolazine duodenum_cancer GAP_HIGH 0.1457 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) ranolazine gallbladder_cancer GAP_HIGH 0.1457 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) carboprost_tromethamine prostate_cancer GAP_LOW 0.1457 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs prostate_cancer targets. Cross-check carboprost_tromethamine pharmacophore against prostate_cancer pathway. doxycycline peripheral_nervous_system_neoplasm GAP_LOW 0.1457 0.1 afatinib Low-priority: Computational docking doxycycline vs peripheral_nervous_system_neoplasm targets. Cross-check doxycycline pharmacophore against peripheral_nervous_system_neoplasm pathway. doxycycline urinary_bladder_cancer GAP_LOW 0.1457 0.1 afatinib Low-priority: Computational docking doxycycline vs urinary_bladder_cancer targets. Cross-check doxycycline pharmacophore against urinary_bladder_cancer pathway. alpha-linolenic_acid breast_cancer GAP_LOW 0.1457 0.07692307692307693 anisindione Low-priority: Computational docking alpha-linolenic_acid vs breast_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against breast_cancer pathway. sodium_tetradecyl_sulfate kidney_cancer GAP_LOW 0.1457 0.0625 clocortolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs kidney_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against kidney_cancer pathway. tamoxifen focal_segmental_glomerulosclerosis GAP_HIGH 0.1456 0.5 promethazine High-priority: Binding assay tamoxifen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.50) testolactone amyotrophic_lateral_sclerosis GAP_HIGH 0.1456 0.4583333333333333 fludrocortisone High-priority: Binding assay testolactone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.46) naproxen melanoma GAP_HIGH 0.1456 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=0.44) suprofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1456 0.4117647058823529 sotalol High-priority: Binding assay suprofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.41) tolmetin obesity GAP_HIGH 0.1456 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in obesity cell model. Expected: similar to bromfenac (Jaccard=0.39) levonordefrin creutzfeldt-jakob_disease GAP_HIGH 0.1456 0.375 l-dopa High-priority: Binding assay levonordefrin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.38) arbutamine ankylosing_spondylitis GAP_HIGH 0.1456 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to droxidopa (Jaccard=0.35) levonorgestrel hypertension GAP_HIGH 0.1456 0.3333333333333333 progesterone High-priority: Binding assay levonorgestrel→?; validate in hypertension cell model. Expected: similar to progesterone (Jaccard=0.33) selegiline pancreatitis GAP_HIGH 0.1456 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in pancreatitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan ankylosing_spondylitis GAP_HIGH 0.1456 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) terbutaline gout GAP_HIGH 0.1456 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.31) terbutaline primary_biliary_cirrhosis GAP_HIGH 0.1456 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.31) amphetamine creutzfeldt-jakob_disease GAP_HIGH 0.1456 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) ibuprofen bipolar_disorder GAP_HIGH 0.1456 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in bipolar_disorder cell model. Expected: similar to ketoprofen (Jaccard=0.20) l-arginine creutzfeldt-jakob_disease GAP_HIGH 0.1456 0.2 moexipril High-priority: Binding assay l-arginine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moexipril (Jaccard=0.20) mephentermine germ_cell_cancer GAP_HIGH 0.1456 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in germ_cell_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone melanoma GAP_HIGH 0.1456 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in melanoma cell model. Expected: similar to etidronic_acid (Jaccard=0.20) streptozocin vascular_cancer GAP_HIGH 0.1456 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in vascular_cancer cell model. Expected: similar to lenalidomide (Jaccard=0.20) aciclovir peripheral_nervous_system_neoplasm GAP_HIGH 0.1456 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.17) aciclovir urinary_bladder_cancer GAP_HIGH 0.1456 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) tafluprost malaria GAP_LOW 0.1456 0.13333333333333333 caffeine Low-priority: Computational docking tafluprost vs malaria targets. Cross-check tafluprost pharmacophore against malaria pathway. dihomo-gamma-linolenic_acid malignant_glioma GAP_LOW 0.1456 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs malignant_glioma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against malignant_glioma pathway. spirapril alopecia_areata GAP_LOW 0.1456 0.1111111111111111 dexamethasone Low-priority: Computational docking spirapril vs alopecia_areata targets. Cross-check spirapril pharmacophore against alopecia_areata pathway. penicillamine type_2_diabetes_mellitus GAP_LOW 0.1456 0.10526315789473684 l-lysine Low-priority: Computational docking penicillamine vs type_2_diabetes_mellitus targets. Cross-check penicillamine pharmacophore against type_2_diabetes_mellitus pathway. solifenacin germ_cell_cancer GAP_LOW 0.1456 0.1 voacamine Low-priority: Computational docking solifenacin vs germ_cell_cancer targets. Cross-check solifenacin pharmacophore against germ_cell_cancer pathway. alpha-linolenic_acid chronic_kidney_failure GAP_LOW 0.1456 0.04878048780487805 fenoprofen Low-priority: Computational docking alpha-linolenic_acid vs chronic_kidney_failure targets. Cross-check alpha-linolenic_acid pharmacophore against chronic_kidney_failure pathway. dimetacrine gilles_de_la_tourette_syndrome GAP_HIGH 0.1455 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to toremifene (Jaccard=0.50) propranolol hypertension GAP_HIGH 0.1455 0.5 methocarbamol High-priority: Binding assay propranolol→?; validate in hypertension cell model. Expected: similar to methocarbamol (Jaccard=0.50) temazepam duodenum_cancer GAP_HIGH 0.1455 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in duodenum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) temazepam gallbladder_cancer GAP_HIGH 0.1455 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in gallbladder_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) clobazam prostate_cancer GAP_HIGH 0.1455 0.36363636363636365 azelastine High-priority: Binding assay clobazam→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.36) gemcitabine urinary_bladder_cancer GAP_HIGH 0.1455 0.36363636363636365 adenosine High-priority: Binding assay gemcitabine→?; validate in urinary_bladder_cancer cell model. Expected: similar to adenosine (Jaccard=0.36) phenindamine mediastinal_cancer GAP_HIGH 0.1455 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) zidovudine peripheral_nervous_system_neoplasm GAP_HIGH 0.1455 0.3333333333333333 pentostatin High-priority: Binding assay zidovudine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to pentostatin (Jaccard=0.33) ephedrine ovarian_cancer GAP_HIGH 0.1455 0.2727272727272727 oxcarbazepine High-priority: Binding assay ephedrine→?; validate in ovarian_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.27) agomelatine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1455 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bezafibrate (Jaccard=0.26) pomalidomide atherosclerosis GAP_HIGH 0.1455 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) epinephrine brain_cancer GAP_HIGH 0.1455 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) epinephrine intracranial_aneurysm GAP_HIGH 0.1455 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.21) ibuprofen endogenous_depression GAP_HIGH 0.1455 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in endogenous_depression cell model. Expected: similar to ketoprofen (Jaccard=0.20) nisoldipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1455 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine prostate_cancer GAP_HIGH 0.1455 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in prostate_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) tropicamide uterine_cancer GAP_HIGH 0.1455 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) losartan muscle_cancer GAP_HIGH 0.1455 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.18) aciclovir attention_deficit_hyperactivity_disorder GAP_HIGH 0.1455 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to aspartame (Jaccard=0.17) gliquidone testicular_cancer GAP_HIGH 0.1455 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) gliquidone vaginal_cancer GAP_HIGH 0.1455 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) gliquidone vulva_cancer GAP_HIGH 0.1455 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) aciclovir gilles_de_la_tourette_syndrome GAP_LOW 0.1455 0.14285714285714285 alvimopan Low-priority: Computational docking aciclovir vs gilles_de_la_tourette_syndrome targets. Cross-check aciclovir pharmacophore against gilles_de_la_tourette_syndrome pathway. l-carnitine lymphatic_system_cancer GAP_LOW 0.1455 0.13333333333333333 tenofovir Low-priority: Computational docking l-carnitine vs lymphatic_system_cancer targets. Cross-check l-carnitine pharmacophore against lymphatic_system_cancer pathway. carboprost_tromethamine mediastinal_cancer GAP_LOW 0.1455 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs mediastinal_cancer targets. Cross-check carboprost_tromethamine pharmacophore against mediastinal_cancer pathway. carboprost_tromethamine primary_biliary_cirrhosis GAP_LOW 0.1455 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs primary_biliary_cirrhosis targets. Cross-check carboprost_tromethamine pharmacophore against primary_biliary_cirrhosis pathway. eprosartan gilles_de_la_tourette_syndrome GAP_LOW 0.1455 0.125 alvimopan Low-priority: Computational docking eprosartan vs gilles_de_la_tourette_syndrome targets. Cross-check eprosartan pharmacophore against gilles_de_la_tourette_syndrome pathway. dihomo-gamma-linolenic_acid kidney_cancer GAP_LOW 0.1455 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs kidney_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against kidney_cancer pathway. doxycycline obesity GAP_LOW 0.1455 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs obesity targets. Cross-check doxycycline pharmacophore against obesity pathway. benzthiazide alcohol_dependence GAP_LOW 0.1455 0.07692307692307693 mazindol Low-priority: Computational docking benzthiazide vs alcohol_dependence targets. Cross-check benzthiazide pharmacophore against alcohol_dependence pathway. sodium_tetradecyl_sulfate celiac_disease GAP_LOW 0.1455 0.0625 clocortolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs celiac_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against celiac_disease pathway. imatinib pagets_disease_of_bone GAP_LOW 0.1455 0.037037037037037035 histamine_phosphate Low-priority: Computational docking imatinib vs pagets_disease_of_bone targets. Cross-check imatinib pharmacophore against pagets_disease_of_bone pathway. l-cystine hepatitis_b GAP_LOW 0.1455 0.02666666666666667 adenosine_monophosphate Low-priority: Computational docking l-cystine vs hepatitis_b targets. Cross-check l-cystine pharmacophore against hepatitis_b pathway. etoricoxib barretts_esophagus GAP_LOW 0.1455 0.0 pantoprazole Low-priority: Computational docking etoricoxib vs barretts_esophagus targets. Cross-check etoricoxib pharmacophore against barretts_esophagus pathway. propiomazine barretts_esophagus GAP_LOW 0.1455 0.0 pantoprazole Low-priority: Computational docking propiomazine vs barretts_esophagus targets. Cross-check propiomazine pharmacophore against barretts_esophagus pathway. raloxifene barretts_esophagus GAP_LOW 0.1455 0.0 pantoprazole Low-priority: Computational docking raloxifene vs barretts_esophagus targets. Cross-check raloxifene pharmacophore against barretts_esophagus pathway. tiaprofenic_acid barretts_esophagus GAP_LOW 0.1455 0.0 pantoprazole Low-priority: Computational docking tiaprofenic_acid vs barretts_esophagus targets. Cross-check tiaprofenic_acid pharmacophore against barretts_esophagus pathway. zuclopenthixol barretts_esophagus GAP_LOW 0.1455 0.0 pantoprazole Low-priority: Computational docking zuclopenthixol vs barretts_esophagus targets. Cross-check zuclopenthixol pharmacophore against barretts_esophagus pathway. promethazine esophageal_cancer GAP_HIGH 0.1454 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) masoprocol pancreatitis GAP_HIGH 0.1454 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in pancreatitis cell model. Expected: similar to carbidopa (Jaccard=0.43) cyclizine ankylosing_spondylitis GAP_HIGH 0.1454 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.42) clonidine sclerosing_cholangitis GAP_HIGH 0.1454 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in sclerosing_cholangitis cell model. Expected: similar to bromfenac (Jaccard=0.41) phenindamine thymus_cancer GAP_HIGH 0.1454 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) sulfadiazine restless_legs_syndrome GAP_HIGH 0.1454 0.3333333333333333 olsalazine High-priority: Binding assay sulfadiazine→?; validate in restless_legs_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.33) topotecan chronic_obstructive_pulmonary_disease GAP_HIGH 0.1454 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) estradiol_valeratedienogest intracranial_aneurysm GAP_HIGH 0.1454 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in intracranial_aneurysm cell model. Expected: similar to exemestane (Jaccard=0.31) terbutaline coronary_artery_disease GAP_HIGH 0.1454 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.31) ketazolam sarcoma GAP_HIGH 0.1454 0.2962962962962963 phenytoin High-priority: Binding assay ketazolam→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.30) aspartame creutzfeldt-jakob_disease GAP_HIGH 0.1454 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to desipramine (Jaccard=0.29) phenmetrazine duodenum_cancer GAP_HIGH 0.1454 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) phenmetrazine gallbladder_cancer GAP_HIGH 0.1454 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) dipivefrin muscle_cancer GAP_HIGH 0.1454 0.2727272727272727 levonordefrin High-priority: Binding assay dipivefrin→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) isoetarine meningioma GAP_HIGH 0.1454 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.27) phenylephrine atherosclerosis GAP_HIGH 0.1454 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.22) etonogestrel dilated_cardiomyopathy GAP_HIGH 0.1454 0.2 dydrogesterone High-priority: Binding assay etonogestrel→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.20) ibuprofen migraine GAP_HIGH 0.1454 0.2 ketoprofen High-priority: Binding assay ibuprofen→?; validate in migraine cell model. Expected: similar to ketoprofen (Jaccard=0.20) isradipine membranous_glomerulonephritis GAP_HIGH 0.1454 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to metolazone (Jaccard=0.17) nicardipine muscle_cancer GAP_HIGH 0.1454 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) ranolazine sclerosing_cholangitis GAP_HIGH 0.1454 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to methylphenidate (Jaccard=0.17) quinapril crohns_disease GAP_LOW 0.1454 0.14285714285714285 indecainide Low-priority: Computational docking quinapril vs crohns_disease targets. Cross-check quinapril pharmacophore against crohns_disease pathway. carboprost_tromethamine thymus_cancer GAP_LOW 0.1454 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs thymus_cancer targets. Cross-check carboprost_tromethamine pharmacophore against thymus_cancer pathway. ranolazine hepatitis_b GAP_LOW 0.1454 0.11764705882352941 mitiglinide Low-priority: Computational docking ranolazine vs hepatitis_b targets. Cross-check ranolazine pharmacophore against hepatitis_b pathway. dihomo-gamma-linolenic_acid nephrolithiasis GAP_LOW 0.1454 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs nephrolithiasis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against nephrolithiasis pathway. baclofen hepatitis_b GAP_LOW 0.1454 0.09090909090909091 alvimopan Low-priority: Computational docking baclofen vs hepatitis_b targets. Cross-check baclofen pharmacophore against hepatitis_b pathway. doxycycline duodenum_cancer GAP_LOW 0.1454 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs duodenum_cancer targets. Cross-check doxycycline pharmacophore against duodenum_cancer pathway. doxycycline gallbladder_cancer GAP_LOW 0.1454 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs gallbladder_cancer targets. Cross-check doxycycline pharmacophore against gallbladder_cancer pathway. caffeine hepatitis_b GAP_LOW 0.1454 0.07692307692307693 gemcitabine Low-priority: Computational docking caffeine vs hepatitis_b targets. Cross-check caffeine pharmacophore against hepatitis_b pathway. pheniramine vaginal_cancer GAP_HIGH 0.1453 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in vaginal_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) pheniramine vulva_cancer GAP_HIGH 0.1453 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in vulva_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) ethinyl_estradiol skin_cancer GAP_HIGH 0.1453 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.47) azatadine uterine_fibroid GAP_HIGH 0.1453 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in uterine_fibroid cell model. Expected: similar to pirenzepine (Jaccard=0.43) indecainide sclerosing_cholangitis GAP_HIGH 0.1453 0.4 phenindamine High-priority: Binding assay indecainide→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenindamine (Jaccard=0.40) tolmetin uterine_fibroid GAP_HIGH 0.1453 0.3888888888888889 bromfenac High-priority: Binding assay tolmetin→?; validate in uterine_fibroid cell model. Expected: similar to bromfenac (Jaccard=0.39) selegiline lung_cancer GAP_HIGH 0.1453 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) selegiline rectum_cancer GAP_HIGH 0.1453 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in rectum_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) dipivefrin lung_cancer GAP_HIGH 0.1453 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dipivefrin rectum_cancer GAP_HIGH 0.1453 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) benzocaine prostate_cancer GAP_HIGH 0.1453 0.25 chloroprocaine High-priority: Binding assay benzocaine→?; validate in prostate_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.25) methyclothiazide systemic_lupus_erythematosus GAP_HIGH 0.1453 0.23809523809523808 tamsulosin High-priority: Binding assay methyclothiazide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to tamsulosin (Jaccard=0.24) clofarabine esophageal_cancer GAP_HIGH 0.1453 0.23529411764705882 gemcitabine High-priority: Binding assay clofarabine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.24) colchicine membranous_glomerulonephritis GAP_HIGH 0.1453 0.2 adefovir_dipivoxil High-priority: Binding assay colchicine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.20) isradipine vitiligo GAP_HIGH 0.1453 0.2 desoximetasone High-priority: Binding assay isradipine→?; validate in vitiligo cell model. Expected: similar to desoximetasone (Jaccard=0.20) metaraminol esophageal_cancer GAP_HIGH 0.1453 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) nisoldipine mediastinal_cancer GAP_HIGH 0.1453 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in mediastinal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) streptozocin uterine_fibroid GAP_HIGH 0.1453 0.2 lenalidomide High-priority: Binding assay streptozocin→?; validate in uterine_fibroid cell model. Expected: similar to lenalidomide (Jaccard=0.20) zolpidem type_1_diabetes_mellitus GAP_HIGH 0.1453 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.20) aminocaproic_acid asthma GAP_HIGH 0.1453 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.20) losartan prostate_cancer GAP_HIGH 0.1453 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in prostate_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nicardipine lung_cancer GAP_HIGH 0.1453 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) gliquidone vascular_cancer GAP_HIGH 0.1453 0.15384615384615385 procarbazine High-priority: Binding assay gliquidone→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) nicardipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1453 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) nilvadipine meningioma GAP_HIGH 0.1453 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.15) gliquidone creutzfeldt-jakob_disease GAP_LOW 0.1453 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs creutzfeldt-jakob_disease targets. Cross-check gliquidone pharmacophore against creutzfeldt-jakob_disease pathway. dinoprost_tromethamine asthma GAP_LOW 0.1453 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs asthma targets. Cross-check dinoprost_tromethamine pharmacophore against asthma pathway. quazepam melanoma GAP_LOW 0.1453 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs melanoma targets. Cross-check quazepam pharmacophore against melanoma pathway. doxycycline schizophrenia GAP_LOW 0.1453 0.1 afatinib Low-priority: Computational docking doxycycline vs schizophrenia targets. Cross-check doxycycline pharmacophore against schizophrenia pathway. riboflavin head_and_neck_cancer GAP_LOW 0.1453 0.1 epirubicin Low-priority: Computational docking riboflavin vs head_and_neck_cancer targets. Cross-check riboflavin pharmacophore against head_and_neck_cancer pathway. riboflavin malignant_glioma GAP_LOW 0.1453 0.1 epirubicin Low-priority: Computational docking riboflavin vs malignant_glioma targets. Cross-check riboflavin pharmacophore against malignant_glioma pathway. succinic_acid type_1_diabetes_mellitus GAP_LOW 0.1453 0.04 olsalazine Low-priority: Computational docking succinic_acid vs type_1_diabetes_mellitus targets. Cross-check succinic_acid pharmacophore against type_1_diabetes_mellitus pathway. alfacalcidol hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking alfacalcidol vs hypothyroidism targets. Cross-check alfacalcidol pharmacophore against hypothyroidism pathway. calcidiol hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking calcidiol vs hypothyroidism targets. Cross-check calcidiol pharmacophore against hypothyroidism pathway. calcipotriol hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking calcipotriol vs hypothyroidism targets. Cross-check calcipotriol pharmacophore against hypothyroidism pathway. ceruletide hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking ceruletide vs hypothyroidism targets. Cross-check ceruletide pharmacophore against hypothyroidism pathway. chlorphenesin hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking chlorphenesin vs hypothyroidism targets. Cross-check chlorphenesin pharmacophore against hypothyroidism pathway. dihydrotachysterol hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking dihydrotachysterol vs hypothyroidism targets. Cross-check dihydrotachysterol pharmacophore against hypothyroidism pathway. doxapram hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking doxapram vs hypothyroidism targets. Cross-check doxapram pharmacophore against hypothyroidism pathway. ethotoin hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking ethotoin vs hypothyroidism targets. Cross-check ethotoin pharmacophore against hypothyroidism pathway. olanzapine hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking olanzapine vs hypothyroidism targets. Cross-check olanzapine pharmacophore against hypothyroidism pathway. orlistat acquired_immunodeficiency_syndrome GAP_LOW 0.1453 0.0 mitiglinide Low-priority: Computational docking orlistat vs acquired_immunodeficiency_syndrome targets. Cross-check orlistat pharmacophore against acquired_immunodeficiency_syndrome pathway. sodium_lauryl_sulfate acquired_immunodeficiency_syndrome GAP_LOW 0.1453 0.0 mitiglinide Low-priority: Computational docking sodium_lauryl_sulfate vs acquired_immunodeficiency_syndrome targets. Cross-check sodium_lauryl_sulfate pharmacophore against acquired_immunodeficiency_syndrome pathway. ziprasidone hypothyroidism GAP_LOW 0.1453 0.0 methimazole Low-priority: Computational docking ziprasidone vs hypothyroidism targets. Cross-check ziprasidone pharmacophore against hypothyroidism pathway. fluoxymesterone breast_cancer GAP_HIGH 0.1452 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in breast_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.52) propranolol migraine GAP_HIGH 0.1452 0.5 methocarbamol High-priority: Binding assay propranolol→?; validate in migraine cell model. Expected: similar to methocarbamol (Jaccard=0.50) drostanolone crohns_disease GAP_HIGH 0.1452 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in crohns_disease cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) phenindamine hematologic_cancer GAP_HIGH 0.1452 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) phenylephrine epilepsy_syndrome GAP_HIGH 0.1452 0.2857142857142857 levonordefrin High-priority: Binding assay phenylephrine→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.29) dobutamine atherosclerosis GAP_HIGH 0.1452 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in atherosclerosis cell model. Expected: similar to mesalazine (Jaccard=0.22) carvedilol lung_cancer GAP_HIGH 0.1452 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.20) nisoldipine thymus_cancer GAP_HIGH 0.1452 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in thymus_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) aminocaproic_acid allergic_rhinitis GAP_HIGH 0.1452 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid breast_cancer GAP_HIGH 0.1452 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid colon_cancer GAP_HIGH 0.1452 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) aciclovir conduct_disorder GAP_HIGH 0.1452 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in conduct_disorder cell model. Expected: similar to aspartame (Jaccard=0.17) aciclovir panic_disorder GAP_HIGH 0.1452 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in panic_disorder cell model. Expected: similar to aspartame (Jaccard=0.17) aciclovir schizophrenia GAP_HIGH 0.1452 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in schizophrenia cell model. Expected: similar to aspartame (Jaccard=0.17) amlodipine kidney_cancer GAP_HIGH 0.1452 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) amlodipine nephrolithiasis GAP_HIGH 0.1452 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.17) nilvadipine thyroid_cancer GAP_HIGH 0.1452 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) vorinostat glaucoma GAP_HIGH 0.1452 0.16666666666666666 alpha-linolenic_acid High-priority: Binding assay vorinostat→?; validate in glaucoma cell model. Expected: similar to alpha-linolenic_acid (Jaccard=0.17) amiloride alzheimers_disease GAP_LOW 0.1452 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs alzheimers_disease targets. Cross-check amiloride pharmacophore against alzheimers_disease pathway. amiloride parkinsons_disease GAP_LOW 0.1452 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs parkinsons_disease targets. Cross-check amiloride pharmacophore against parkinsons_disease pathway. dinoprost_tromethamine atopic_dermatitis GAP_LOW 0.1452 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs atopic_dermatitis targets. Cross-check dinoprost_tromethamine pharmacophore against atopic_dermatitis pathway. dinoprost_tromethamine breast_cancer GAP_LOW 0.1452 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs breast_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against breast_cancer pathway. dinoprost_tromethamine colon_cancer GAP_LOW 0.1452 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs colon_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against colon_cancer pathway. heptabarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1452 0.125 ephedrine Low-priority: Computational docking heptabarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check heptabarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. isoetarine leprosy GAP_LOW 0.1452 0.125 lenalidomide Low-priority: Computational docking isoetarine vs leprosy targets. Cross-check isoetarine pharmacophore against leprosy pathway. dihomo-gamma-linolenic_acid celiac_disease GAP_LOW 0.1452 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs celiac_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against celiac_disease pathway. doxycycline breast_cancer GAP_LOW 0.1452 0.1 afatinib Low-priority: Computational docking doxycycline vs breast_cancer targets. Cross-check doxycycline pharmacophore against breast_cancer pathway. doxycycline colon_cancer GAP_LOW 0.1452 0.1 afatinib Low-priority: Computational docking doxycycline vs colon_cancer targets. Cross-check doxycycline pharmacophore against colon_cancer pathway. riboflavin kidney_cancer GAP_LOW 0.1452 0.1 epirubicin Low-priority: Computational docking riboflavin vs kidney_cancer targets. Cross-check riboflavin pharmacophore against kidney_cancer pathway. riboflavin nephrolithiasis GAP_LOW 0.1452 0.1 epirubicin Low-priority: Computational docking riboflavin vs nephrolithiasis targets. Cross-check riboflavin pharmacophore against nephrolithiasis pathway. primidone alopecia_areata GAP_LOW 0.1452 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs alopecia_areata targets. Cross-check primidone pharmacophore against alopecia_areata pathway. succinic_acid hepatitis_b GAP_LOW 0.1452 0.02702702702702703 glucosamine Low-priority: Computational docking succinic_acid vs hepatitis_b targets. Cross-check succinic_acid pharmacophore against hepatitis_b pathway. atropine barretts_esophagus GAP_LOW 0.1452 0.0 pantoprazole Low-priority: Computational docking atropine vs barretts_esophagus targets. Cross-check atropine pharmacophore against barretts_esophagus pathway. benzatropine barretts_esophagus GAP_LOW 0.1452 0.0 pantoprazole Low-priority: Computational docking benzatropine vs barretts_esophagus targets. Cross-check benzatropine pharmacophore against barretts_esophagus pathway. chlorprothixene barretts_esophagus GAP_LOW 0.1452 0.0 pantoprazole Low-priority: Computational docking chlorprothixene vs barretts_esophagus targets. Cross-check chlorprothixene pharmacophore against barretts_esophagus pathway. salsalate barretts_esophagus GAP_LOW 0.1452 0.0 pantoprazole Low-priority: Computational docking salsalate vs barretts_esophagus targets. Cross-check salsalate pharmacophore against barretts_esophagus pathway. thiothixene barretts_esophagus GAP_LOW 0.1452 0.0 pantoprazole Low-priority: Computational docking thiothixene vs barretts_esophagus targets. Cross-check thiothixene pharmacophore against barretts_esophagus pathway. bepridil vaginal_cancer GAP_HIGH 0.1451 0.45454545454545453 alverine High-priority: Binding assay bepridil→?; validate in vaginal_cancer cell model. Expected: similar to alverine (Jaccard=0.45) masoprocol lung_cancer GAP_HIGH 0.1451 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in lung_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) masoprocol rectum_cancer GAP_HIGH 0.1451 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in rectum_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) docetaxel restless_legs_syndrome GAP_HIGH 0.1451 0.4 rasagiline High-priority: Binding assay docetaxel→?; validate in restless_legs_syndrome cell model. Expected: similar to rasagiline (Jaccard=0.40) propafenone glaucoma GAP_HIGH 0.1451 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in glaucoma cell model. Expected: similar to propranolol (Jaccard=0.39) alverine gilles_de_la_tourette_syndrome GAP_HIGH 0.1451 0.35714285714285715 isopropamide High-priority: Binding assay alverine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.36) arbutamine pancreatitis GAP_HIGH 0.1451 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in pancreatitis cell model. Expected: similar to droxidopa (Jaccard=0.35) loteprednol crohns_disease GAP_HIGH 0.1451 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in crohns_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) selegiline liver_cancer GAP_HIGH 0.1451 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in liver_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) dasatinib type_2_diabetes_mellitus GAP_HIGH 0.1451 0.3076923076923077 captopril High-priority: Binding assay dasatinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to captopril (Jaccard=0.31) cinchocaine epilepsy_syndrome GAP_HIGH 0.1451 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in epilepsy_syndrome cell model. Expected: similar to phenmetrazine (Jaccard=0.30) ethotoin duodenum_cancer GAP_HIGH 0.1451 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) ethotoin gallbladder_cancer GAP_HIGH 0.1451 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) dipivefrin autistic_disorder GAP_HIGH 0.1451 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.27) dipivefrin liver_cancer GAP_HIGH 0.1451 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dipivefrin nicotine_dependence GAP_HIGH 0.1451 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.27) dapsone type_1_diabetes_mellitus GAP_HIGH 0.1451 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to sulfapyridine (Jaccard=0.25) colchicine germ_cell_cancer GAP_HIGH 0.1451 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in germ_cell_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) amphetamine glaucoma GAP_HIGH 0.1451 0.16666666666666666 choline High-priority: Binding assay amphetamine→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) losartan mediastinal_cancer GAP_HIGH 0.1451 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in mediastinal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan primary_biliary_cirrhosis GAP_HIGH 0.1451 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to irinotecan (Jaccard=0.17) nicardipine liver_cancer GAP_HIGH 0.1451 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) nilvadipine epilepsy_syndrome GAP_HIGH 0.1451 0.16666666666666666 aminophenazone High-priority: Binding assay nilvadipine→?; validate in epilepsy_syndrome cell model. Expected: similar to aminophenazone (Jaccard=0.17) melatonin alcohol_dependence GAP_HIGH 0.1451 0.15384615384615385 temazepam High-priority: Binding assay melatonin→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.15) amiloride amyotrophic_lateral_sclerosis GAP_LOW 0.1451 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs amyotrophic_lateral_sclerosis targets. Cross-check amiloride pharmacophore against amyotrophic_lateral_sclerosis pathway. dinoprost_tromethamine allergic_rhinitis GAP_LOW 0.1451 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs allergic_rhinitis targets. Cross-check dinoprost_tromethamine pharmacophore against allergic_rhinitis pathway. zolmitriptan focal_segmental_glomerulosclerosis GAP_LOW 0.1451 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs focal_segmental_glomerulosclerosis targets. Cross-check zolmitriptan pharmacophore against focal_segmental_glomerulosclerosis pathway. quazepam celiac_disease GAP_LOW 0.1451 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking quazepam vs celiac_disease targets. Cross-check quazepam pharmacophore against celiac_disease pathway. succinic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1451 0.038461538461538464 ifenprodil Low-priority: Computational docking succinic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check succinic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. tamoxifen pancreatic_cancer GAP_HIGH 0.145 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in pancreatic_cancer cell model. Expected: similar to benzatropine (Jaccard=0.56) azatadine polycystic_ovary_syndrome GAP_HIGH 0.145 0.42857142857142855 pirenzepine High-priority: Binding assay azatadine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirenzepine (Jaccard=0.43) cyclizine pancreatitis GAP_HIGH 0.145 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in pancreatitis cell model. Expected: similar to benzatropine (Jaccard=0.42) gliclazide primary_biliary_cirrhosis GAP_HIGH 0.145 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.27) chlorpropamide crohns_disease GAP_HIGH 0.145 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in crohns_disease cell model. Expected: similar to bezafibrate (Jaccard=0.26) methyclothiazide testicular_cancer GAP_HIGH 0.145 0.23809523809523808 tamsulosin High-priority: Binding assay methyclothiazide→?; validate in testicular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.24) ethotoin atherosclerosis GAP_HIGH 0.145 0.23684210526315788 flurbiprofen High-priority: Binding assay ethotoin→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.24) ribavirin esophageal_cancer GAP_HIGH 0.145 0.2222222222222222 gemcitabine High-priority: Binding assay ribavirin→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) methsuximide urinary_bladder_cancer GAP_HIGH 0.145 0.21875 chlorcyclizine High-priority: Binding assay methsuximide→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) amphetamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.145 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) mephentermine penile_cancer GAP_HIGH 0.145 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) nisoldipine hematologic_cancer GAP_HIGH 0.145 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in hematologic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine narcolepsy GAP_HIGH 0.145 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in narcolepsy cell model. Expected: similar to ifenprodil (Jaccard=0.20) aminocaproic_acid osteoporosis GAP_HIGH 0.145 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid uterine_cancer GAP_HIGH 0.145 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) codeine malaria GAP_HIGH 0.145 0.1875 thiamylal High-priority: Binding assay codeine→?; validate in malaria cell model. Expected: similar to thiamylal (Jaccard=0.19) tropicamide malignant_mesothelioma GAP_HIGH 0.145 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.18) aciclovir bipolar_disorder GAP_HIGH 0.145 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in bipolar_disorder cell model. Expected: similar to aspartame (Jaccard=0.17) lercanidipine penile_cancer GAP_HIGH 0.145 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in penile_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) losartan thymus_cancer GAP_HIGH 0.145 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in thymus_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nicardipine urinary_bladder_cancer GAP_HIGH 0.145 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) ospemifene leprosy GAP_LOW 0.145 0.14285714285714285 lenalidomide Low-priority: Computational docking ospemifene vs leprosy targets. Cross-check ospemifene pharmacophore against leprosy pathway. dinoprost_tromethamine psoriasis GAP_LOW 0.145 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs psoriasis targets. Cross-check dinoprost_tromethamine pharmacophore against psoriasis pathway. doxycycline restless_legs_syndrome GAP_LOW 0.145 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs restless_legs_syndrome targets. Cross-check doxycycline pharmacophore against restless_legs_syndrome pathway. doxycycline uterine_cancer GAP_LOW 0.145 0.1 afatinib Low-priority: Computational docking doxycycline vs uterine_cancer targets. Cross-check doxycycline pharmacophore against uterine_cancer pathway. zolpidem leprosy GAP_LOW 0.145 0.1 sulfamethizole Low-priority: Computational docking zolpidem vs leprosy targets. Cross-check zolpidem pharmacophore against leprosy pathway. doxycycline sclerosing_cholangitis GAP_LOW 0.145 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs sclerosing_cholangitis targets. Cross-check doxycycline pharmacophore against sclerosing_cholangitis pathway. amobarbital esophageal_cancer GAP_LOW 0.145 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs esophageal_cancer targets. Cross-check amobarbital pharmacophore against esophageal_cancer pathway. alpha-linolenic_acid creutzfeldt-jakob_disease GAP_LOW 0.145 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs creutzfeldt-jakob_disease targets. Cross-check alpha-linolenic_acid pharmacophore against creutzfeldt-jakob_disease pathway. pheniramine uterine_fibroid GAP_HIGH 0.1449 0.5333333333333333 clofedanol High-priority: Binding assay pheniramine→?; validate in uterine_fibroid cell model. Expected: similar to clofedanol (Jaccard=0.53) alimemazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1449 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to trimipramine (Jaccard=0.44) naproxen pharynx_cancer GAP_HIGH 0.1449 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol liver_cancer GAP_HIGH 0.1449 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in liver_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) oxazepam skin_cancer GAP_HIGH 0.1449 0.38461538461538464 azatadine High-priority: Binding assay oxazepam→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.38) acenocoumarol chronic_obstructive_pulmonary_disease GAP_HIGH 0.1449 0.3333333333333333 phenindione High-priority: Binding assay acenocoumarol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenindione (Jaccard=0.33) selegiline peripheral_nervous_system_neoplasm GAP_HIGH 0.1449 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan lung_cancer GAP_HIGH 0.1449 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) sulfaphenazole narcolepsy GAP_HIGH 0.1449 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in narcolepsy cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) conjugated_estrogens breast_cancer GAP_HIGH 0.1449 0.3 quinestrol High-priority: Binding assay conjugated_estrogens→?; validate in breast_cancer cell model. Expected: similar to quinestrol (Jaccard=0.30) trilostane crohns_disease GAP_HIGH 0.1449 0.29411764705882354 testosterone_propionate High-priority: Binding assay trilostane→?; validate in crohns_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.29) aspartame ankylosing_spondylitis GAP_HIGH 0.1449 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.29) dipivefrin urinary_bladder_cancer GAP_HIGH 0.1449 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) fenbufen mediastinal_cancer GAP_HIGH 0.1449 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) dopamine duodenum_cancer GAP_HIGH 0.1449 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine gallbladder_cancer GAP_HIGH 0.1449 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine melanoma GAP_HIGH 0.1449 0.25 vincristine High-priority: Binding assay dopamine→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.25) podofilox dilated_cardiomyopathy GAP_HIGH 0.1449 0.25 ciprofloxacin High-priority: Binding assay podofilox→?; validate in dilated_cardiomyopathy cell model. Expected: similar to ciprofloxacin (Jaccard=0.25) amphetamine epilepsy_syndrome GAP_HIGH 0.1449 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in epilepsy_syndrome cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) metaraminol focal_segmental_glomerulosclerosis GAP_HIGH 0.1449 0.2 acetophenazine High-priority: Binding assay metaraminol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acetophenazine (Jaccard=0.20) metolazone pharynx_cancer GAP_HIGH 0.1449 0.2 clodronate High-priority: Binding assay metolazone→?; validate in pharynx_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) streptozocin vitiligo GAP_HIGH 0.1449 0.2 dipivefrin High-priority: Binding assay streptozocin→?; validate in vitiligo cell model. Expected: similar to dipivefrin (Jaccard=0.20) tropicamide testicular_cancer GAP_HIGH 0.1449 0.2 oxaprozin High-priority: Binding assay tropicamide→?; validate in testicular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.20) tropicamide vaginal_cancer GAP_HIGH 0.1449 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) tropicamide vulva_cancer GAP_HIGH 0.1449 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.20) aminocaproic_acid ovarian_cancer GAP_HIGH 0.1449 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid sarcoma GAP_HIGH 0.1449 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.20) aciclovir endogenous_depression GAP_HIGH 0.1449 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in endogenous_depression cell model. Expected: similar to aspartame (Jaccard=0.17) amlodipine chronic_kidney_failure GAP_HIGH 0.1449 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.17) estropipate primary_biliary_cirrhosis GAP_HIGH 0.1449 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.17) metolazone acquired_immunodeficiency_syndrome GAP_LOW 0.1449 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs acquired_immunodeficiency_syndrome targets. Cross-check metolazone pharmacophore against acquired_immunodeficiency_syndrome pathway. trimethoprim azoospermia GAP_LOW 0.1449 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs azoospermia targets. Cross-check trimethoprim pharmacophore against azoospermia pathway. dextropropoxyphene idiopathic_pulmonary_fibrosis GAP_LOW 0.1449 0.125 propafenone Low-priority: Computational docking dextropropoxyphene vs idiopathic_pulmonary_fibrosis targets. Cross-check dextropropoxyphene pharmacophore against idiopathic_pulmonary_fibrosis pathway. dinoprost_tromethamine multiple_sclerosis GAP_LOW 0.1449 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs multiple_sclerosis targets. Cross-check dinoprost_tromethamine pharmacophore against multiple_sclerosis pathway. zolmitriptan gilles_de_la_tourette_syndrome GAP_LOW 0.1449 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs gilles_de_la_tourette_syndrome targets. Cross-check zolmitriptan pharmacophore against gilles_de_la_tourette_syndrome pathway. caffeine penile_cancer GAP_LOW 0.1449 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs penile_cancer targets. Cross-check caffeine pharmacophore against penile_cancer pathway. doxycycline polycystic_ovary_syndrome GAP_LOW 0.1449 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs polycystic_ovary_syndrome targets. Cross-check doxycycline pharmacophore against polycystic_ovary_syndrome pathway. doxycycline type_2_diabetes_mellitus GAP_LOW 0.1449 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs type_2_diabetes_mellitus targets. Cross-check doxycycline pharmacophore against type_2_diabetes_mellitus pathway. doxycycline ovarian_cancer GAP_LOW 0.1449 0.1 afatinib Low-priority: Computational docking doxycycline vs ovarian_cancer targets. Cross-check doxycycline pharmacophore against ovarian_cancer pathway. doxycycline sarcoma GAP_LOW 0.1449 0.1 afatinib Low-priority: Computational docking doxycycline vs sarcoma targets. Cross-check doxycycline pharmacophore against sarcoma pathway. sodium_tetradecyl_sulfate type_1_diabetes_mellitus GAP_LOW 0.1449 0.05555555555555555 rimexolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs type_1_diabetes_mellitus targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against type_1_diabetes_mellitus pathway. dronedarone esophageal_cancer GAP_LOW 0.1449 0.05263157894736842 toremifene Low-priority: Computational docking dronedarone vs esophageal_cancer targets. Cross-check dronedarone pharmacophore against esophageal_cancer pathway. succinic_acid azoospermia GAP_LOW 0.1449 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs azoospermia targets. Cross-check succinic_acid pharmacophore against azoospermia pathway. irbesartan leprosy GAP_LOW 0.1449 0.0 sulfapyridine Low-priority: Computational docking irbesartan vs leprosy targets. Cross-check irbesartan pharmacophore against leprosy pathway. tamoxifen multiple_sclerosis GAP_HIGH 0.1448 0.5555555555555556 benzatropine High-priority: Binding assay tamoxifen→?; validate in multiple_sclerosis cell model. Expected: similar to benzatropine (Jaccard=0.56) fluoxymesterone migraine GAP_HIGH 0.1448 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in migraine cell model. Expected: similar to hydrocortisone (Jaccard=0.52) methdilazine vascular_cancer GAP_HIGH 0.1448 0.52 chlorpromazine High-priority: Binding assay methdilazine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.52) pazopanib psoriatic_arthritis GAP_HIGH 0.1448 0.42105263157894735 sorafenib High-priority: Binding assay pazopanib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.42) clozapine malaria GAP_HIGH 0.1448 0.38095238095238093 antipyrine High-priority: Binding assay clozapine→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.38) antazoline vaginal_cancer GAP_HIGH 0.1448 0.35714285714285715 phenoxybenzamine High-priority: Binding assay antazoline→?; validate in vaginal_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.36) arbutamine lung_cancer GAP_HIGH 0.1448 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in lung_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) arbutamine rectum_cancer GAP_HIGH 0.1448 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in rectum_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) drostanolone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1448 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) ziprasidone ankylosing_spondylitis GAP_HIGH 0.1448 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in ankylosing_spondylitis cell model. Expected: similar to oxazepam (Jaccard=0.30) phenylephrine muscle_cancer GAP_HIGH 0.1448 0.2857142857142857 levonordefrin High-priority: Binding assay phenylephrine→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.29) alprazolam gout GAP_HIGH 0.1448 0.2777777777777778 diazepam High-priority: Binding assay alprazolam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.28) fenbufen thymus_cancer GAP_HIGH 0.1448 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) gliclazide coronary_artery_disease GAP_HIGH 0.1448 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.27) benzocaine coronary_artery_disease GAP_HIGH 0.1448 0.25 chloroprocaine High-priority: Binding assay benzocaine→?; validate in coronary_artery_disease cell model. Expected: similar to chloroprocaine (Jaccard=0.25) anisindione duodenum_cancer GAP_HIGH 0.1448 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in duodenum_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) anisindione gallbladder_cancer GAP_HIGH 0.1448 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in gallbladder_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) clofibrate skin_cancer GAP_HIGH 0.1448 0.2 warfarin High-priority: Binding assay clofibrate→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) flavin_adenine_dinucleotide esophageal_cancer GAP_HIGH 0.1448 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in esophageal_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) mepenzolate alcohol_dependence GAP_HIGH 0.1448 0.2 ethylmorphine High-priority: Binding assay mepenzolate→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.20) mephentermine malignant_mesothelioma GAP_HIGH 0.1448 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.20) tropicamide vascular_cancer GAP_HIGH 0.1448 0.2 oxaprozin High-priority: Binding assay tropicamide→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.20) tioguanine head_and_neck_cancer GAP_HIGH 0.1448 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in head_and_neck_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) tioguanine malignant_glioma GAP_HIGH 0.1448 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in malignant_glioma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) aciclovir uterine_cancer GAP_HIGH 0.1448 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in uterine_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) benazepril membranous_glomerulonephritis GAP_LOW 0.1448 0.14285714285714285 trifluridine Low-priority: Computational docking benazepril vs membranous_glomerulonephritis targets. Cross-check benazepril pharmacophore against membranous_glomerulonephritis pathway. losartan nephrolithiasis GAP_LOW 0.1448 0.14285714285714285 doxorubicin Low-priority: Computational docking losartan vs nephrolithiasis targets. Cross-check losartan pharmacophore against nephrolithiasis pathway. doxycycline vitiligo GAP_LOW 0.1448 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs vitiligo targets. Cross-check doxycycline pharmacophore against vitiligo pathway. glimepiride focal_segmental_glomerulosclerosis GAP_LOW 0.1448 0.1 indapamide Low-priority: Computational docking glimepiride vs focal_segmental_glomerulosclerosis targets. Cross-check glimepiride pharmacophore against focal_segmental_glomerulosclerosis pathway. dihomo-gamma-linolenic_acid esophageal_cancer GAP_LOW 0.1448 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs esophageal_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against esophageal_cancer pathway. primidone focal_segmental_glomerulosclerosis GAP_LOW 0.1448 0.09523809523809523 naftifine Low-priority: Computational docking primidone vs focal_segmental_glomerulosclerosis targets. Cross-check primidone pharmacophore against focal_segmental_glomerulosclerosis pathway. sodium_tetradecyl_sulfate sclerosing_cholangitis GAP_LOW 0.1448 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs sclerosing_cholangitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against sclerosing_cholangitis pathway. carprofen dilated_cardiomyopathy GAP_LOW 0.1448 0.07142857142857142 trandolapril Low-priority: Computational docking carprofen vs dilated_cardiomyopathy targets. Cross-check carprofen pharmacophore against dilated_cardiomyopathy pathway. l-cystine brain_cancer GAP_LOW 0.1448 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs brain_cancer targets. Cross-check l-cystine pharmacophore against brain_cancer pathway. l-cystine intracranial_aneurysm GAP_LOW 0.1448 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs intracranial_aneurysm targets. Cross-check l-cystine pharmacophore against intracranial_aneurysm pathway. cortisone_acetate barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking cortisone_acetate vs barretts_esophagus targets. Cross-check cortisone_acetate pharmacophore against barretts_esophagus pathway. fluorometholone barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking fluorometholone vs barretts_esophagus targets. Cross-check fluorometholone pharmacophore against barretts_esophagus pathway. flurandrenolide barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking flurandrenolide vs barretts_esophagus targets. Cross-check flurandrenolide pharmacophore against barretts_esophagus pathway. loteprednol barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking loteprednol vs barretts_esophagus targets. Cross-check loteprednol pharmacophore against barretts_esophagus pathway. mequitazine barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking mequitazine vs barretts_esophagus targets. Cross-check mequitazine pharmacophore against barretts_esophagus pathway. prednicarbate barretts_esophagus GAP_LOW 0.1448 0.0 pantoprazole Low-priority: Computational docking prednicarbate vs barretts_esophagus targets. Cross-check prednicarbate pharmacophore against barretts_esophagus pathway. propofol dilated_cardiomyopathy GAP_LOW 0.1448 0.0 hydrocortisone Low-priority: Computational docking propofol vs dilated_cardiomyopathy targets. Cross-check propofol pharmacophore against dilated_cardiomyopathy pathway. promethazine type_1_diabetes_mellitus GAP_HIGH 0.1447 0.5 benzatropine High-priority: Binding assay promethazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.50) naproxen thyroid_cancer GAP_HIGH 0.1447 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) arbutamine liver_cancer GAP_HIGH 0.1447 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in liver_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) topotecan alzheimers_disease GAP_HIGH 0.1447 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in alzheimers_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan parkinsons_disease GAP_HIGH 0.1447 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in parkinsons_disease cell model. Expected: similar to cyclandelate (Jaccard=0.33) zidovudine multiple_sclerosis GAP_HIGH 0.1447 0.3333333333333333 emtricitabine High-priority: Binding assay zidovudine→?; validate in multiple_sclerosis cell model. Expected: similar to emtricitabine (Jaccard=0.33) ziprasidone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1447 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to azatadine (Jaccard=0.30) aspartame epilepsy_syndrome GAP_HIGH 0.1447 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in epilepsy_syndrome cell model. Expected: similar to desipramine (Jaccard=0.29) phenylephrine lung_cancer GAP_HIGH 0.1447 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) phenylephrine rectum_cancer GAP_HIGH 0.1447 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) thalidomide larynx_cancer GAP_HIGH 0.1447 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) epinephrine head_and_neck_cancer GAP_HIGH 0.1447 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) epinephrine malignant_glioma GAP_HIGH 0.1447 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) metolazone thyroid_cancer GAP_HIGH 0.1447 0.2 clodronate High-priority: Binding assay metolazone→?; validate in thyroid_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) proparacaine atherosclerosis GAP_HIGH 0.1447 0.2 clofibrate High-priority: Binding assay proparacaine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.20) tioguanine kidney_cancer GAP_HIGH 0.1447 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in kidney_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) nilvadipine muscle_cancer GAP_HIGH 0.1447 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) tropicamide gilles_de_la_tourette_syndrome GAP_HIGH 0.1447 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to phenylbutazone (Jaccard=0.17) captopril type_1_diabetes_mellitus GAP_HIGH 0.1447 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.15) dinoprostone hematologic_cancer GAP_HIGH 0.1447 0.15384615384615385 pomalidomide High-priority: Binding assay dinoprostone→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.15) ranolazine malignant_mesothelioma GAP_LOW 0.1447 0.15 warfarin Low-priority: Computational docking ranolazine vs malignant_mesothelioma targets. Cross-check ranolazine pharmacophore against malignant_mesothelioma pathway. nelarabine celiac_disease GAP_LOW 0.1447 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs celiac_disease targets. Cross-check nelarabine pharmacophore against celiac_disease pathway. quinapril gout GAP_LOW 0.1447 0.14285714285714285 indecainide Low-priority: Computational docking quinapril vs gout targets. Cross-check quinapril pharmacophore against gout pathway. l-ornithine membranous_glomerulonephritis GAP_LOW 0.1447 0.13333333333333333 calcium_acetate Low-priority: Computational docking l-ornithine vs membranous_glomerulonephritis targets. Cross-check l-ornithine pharmacophore against membranous_glomerulonephritis pathway. aminoglutethimide alopecia_areata GAP_LOW 0.1447 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs alopecia_areata targets. Cross-check aminoglutethimide pharmacophore against alopecia_areata pathway. aminophenazone kidney_cancer GAP_LOW 0.1447 0.09090909090909091 spironolactone Low-priority: Computational docking aminophenazone vs kidney_cancer targets. Cross-check aminophenazone pharmacophore against kidney_cancer pathway. carprofen acquired_immunodeficiency_syndrome GAP_LOW 0.1447 0.09090909090909091 alvimopan Low-priority: Computational docking carprofen vs acquired_immunodeficiency_syndrome targets. Cross-check carprofen pharmacophore against acquired_immunodeficiency_syndrome pathway. pentobarbital larynx_cancer GAP_LOW 0.1447 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs larynx_cancer targets. Cross-check pentobarbital pharmacophore against larynx_cancer pathway. dronedarone brain_cancer GAP_LOW 0.1447 0.058823529411764705 levorphanol Low-priority: Computational docking dronedarone vs brain_cancer targets. Cross-check dronedarone pharmacophore against brain_cancer pathway. succinic_acid brain_cancer GAP_LOW 0.1447 0.04 medrysone Low-priority: Computational docking succinic_acid vs brain_cancer targets. Cross-check succinic_acid pharmacophore against brain_cancer pathway. succinic_acid intracranial_aneurysm GAP_LOW 0.1447 0.04 medrysone Low-priority: Computational docking succinic_acid vs intracranial_aneurysm targets. Cross-check succinic_acid pharmacophore against intracranial_aneurysm pathway. atomoxetine gilles_de_la_tourette_syndrome GAP_HIGH 0.1446 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to reboxetine (Jaccard=0.44) methotrexate germ_cell_cancer GAP_HIGH 0.1446 0.4 capecitabine High-priority: Binding assay methotrexate→?; validate in germ_cell_cancer cell model. Expected: similar to capecitabine (Jaccard=0.40) topotecan amyotrophic_lateral_sclerosis GAP_HIGH 0.1446 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan autistic_disorder GAP_HIGH 0.1446 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in autistic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan nicotine_dependence GAP_HIGH 0.1446 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in nicotine_dependence cell model. Expected: similar to cyclandelate (Jaccard=0.33) estradiol_valeratedienogest head_and_neck_cancer GAP_HIGH 0.1446 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in head_and_neck_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) estradiol_valeratedienogest malignant_glioma GAP_HIGH 0.1446 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in malignant_glioma cell model. Expected: similar to exemestane (Jaccard=0.31) isoetarine mediastinal_cancer GAP_HIGH 0.1446 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.27) dopamine sclerosing_cholangitis GAP_HIGH 0.1446 0.25 vincristine High-priority: Binding assay dopamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.25) dopamine atherosclerosis GAP_HIGH 0.1446 0.1875 methyldopa High-priority: Binding assay dopamine→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.19) amlodipine crohns_disease GAP_HIGH 0.1446 0.18181818181818182 difenoxin High-priority: Binding assay amlodipine→?; validate in crohns_disease cell model. Expected: similar to difenoxin (Jaccard=0.18) losartan asthma GAP_HIGH 0.1446 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in asthma cell model. Expected: similar to lisinopril (Jaccard=0.18) losartan panic_disorder GAP_HIGH 0.1446 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.18) losartan schizophrenia GAP_HIGH 0.1446 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.18) remifentanil focal_segmental_glomerulosclerosis GAP_HIGH 0.1446 0.18181818181818182 promethazine High-priority: Binding assay remifentanil→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.18) tioguanine nephrolithiasis GAP_HIGH 0.1446 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in nephrolithiasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) vapreotide ankylosing_spondylitis GAP_HIGH 0.1446 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in ankylosing_spondylitis cell model. Expected: similar to deferasirox (Jaccard=0.18) emtricitabine hypertension GAP_HIGH 0.1446 0.16666666666666666 trimetrexate High-priority: Binding assay emtricitabine→?; validate in hypertension cell model. Expected: similar to trimetrexate (Jaccard=0.17) nilvadipine lung_cancer GAP_HIGH 0.1446 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1446 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) gliquidone epilepsy_syndrome GAP_LOW 0.1446 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs epilepsy_syndrome targets. Cross-check gliquidone pharmacophore against epilepsy_syndrome pathway. oxyphenonium brain_cancer GAP_LOW 0.1446 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs brain_cancer targets. Cross-check oxyphenonium pharmacophore against brain_cancer pathway. oxyphenonium intracranial_aneurysm GAP_LOW 0.1446 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs intracranial_aneurysm targets. Cross-check oxyphenonium pharmacophore against intracranial_aneurysm pathway. doxycycline rheumatoid_arthritis GAP_LOW 0.1446 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs rheumatoid_arthritis targets. Cross-check doxycycline pharmacophore against rheumatoid_arthritis pathway. thiothixene schizophrenia GAP_HIGH 0.1445 0.5909090909090909 zuclopenthixol High-priority: Binding assay thiothixene→?; validate in schizophrenia cell model. Expected: similar to zuclopenthixol (Jaccard=0.59) ethinyl_estradiol restless_legs_syndrome GAP_HIGH 0.1445 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.47) temazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1445 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to pirenzepine (Jaccard=0.47) clonidine pancreatitis GAP_HIGH 0.1445 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in pancreatitis cell model. Expected: similar to bromfenac (Jaccard=0.41) moricizine mediastinal_cancer GAP_HIGH 0.1445 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) drostanolone gout GAP_HIGH 0.1445 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in gout cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) lapatinib breast_cancer GAP_HIGH 0.1445 0.3333333333333333 afatinib High-priority: Binding assay lapatinib→?; validate in breast_cancer cell model. Expected: similar to afatinib (Jaccard=0.33) lapatinib schizophrenia GAP_HIGH 0.1445 0.3333333333333333 afatinib High-priority: Binding assay lapatinib→?; validate in schizophrenia cell model. Expected: similar to afatinib (Jaccard=0.33) selegiline colon_cancer GAP_HIGH 0.1445 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in colon_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan peripheral_nervous_system_neoplasm GAP_HIGH 0.1445 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.33) terbutaline duodenum_cancer GAP_HIGH 0.1445 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in duodenum_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) terbutaline gallbladder_cancer GAP_HIGH 0.1445 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in gallbladder_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) terbutaline melanoma GAP_HIGH 0.1445 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.31) flurbiprofen leprosy GAP_HIGH 0.1445 0.28846153846153844 phensuximide High-priority: Binding assay flurbiprofen→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.29) phenylephrine liver_cancer GAP_HIGH 0.1445 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) dipivefrin colon_cancer GAP_HIGH 0.1445 0.2727272727272727 levonordefrin High-priority: Binding assay dipivefrin→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) epinephrine nephrolithiasis GAP_HIGH 0.1445 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.21) captopril alzheimers_disease GAP_HIGH 0.1445 0.2 moexipril High-priority: Binding assay captopril→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.20) captopril parkinsons_disease GAP_HIGH 0.1445 0.2 moexipril High-priority: Binding assay captopril→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.20) colchicine penile_cancer GAP_HIGH 0.1445 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in penile_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) tropicamide uterine_fibroid GAP_HIGH 0.1445 0.2 clozapine High-priority: Binding assay tropicamide→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.20) aminocaproic_acid skin_cancer GAP_HIGH 0.1445 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) losartan allergic_rhinitis GAP_HIGH 0.1445 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.18) papaverine gout GAP_HIGH 0.1445 0.1724137931034483 modafinil High-priority: Binding assay papaverine→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.17) amiloride hypertension GAP_LOW 0.1445 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs hypertension targets. Cross-check amiloride pharmacophore against hypertension pathway. cilazapril membranous_glomerulonephritis GAP_LOW 0.1445 0.14285714285714285 alvimopan Low-priority: Computational docking cilazapril vs membranous_glomerulonephritis targets. Cross-check cilazapril pharmacophore against membranous_glomerulonephritis pathway. ritodrine bone_cancer GAP_LOW 0.1445 0.14285714285714285 clodronate Low-priority: Computational docking ritodrine vs bone_cancer targets. Cross-check ritodrine pharmacophore against bone_cancer pathway. dinoprost_tromethamine metabolic_syndrome_x GAP_LOW 0.1445 0.125 naloxone Low-priority: Computational docking dinoprost_tromethamine vs metabolic_syndrome_x targets. Cross-check dinoprost_tromethamine pharmacophore against metabolic_syndrome_x pathway. doxycycline skin_cancer GAP_LOW 0.1445 0.1 afatinib Low-priority: Computational docking doxycycline vs skin_cancer targets. Cross-check doxycycline pharmacophore against skin_cancer pathway. oxaprozin lung_cancer GAP_HIGH 0.1444 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) oxaprozin rectum_cancer GAP_HIGH 0.1444 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) ethinyl_estradiol vitiligo GAP_HIGH 0.1444 0.47058823529411764 estrone High-priority: Binding assay ethinyl_estradiol→?; validate in vitiligo cell model. Expected: similar to estrone (Jaccard=0.47) naproxen pancreatitis GAP_HIGH 0.1444 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=0.44) cyclizine peripheral_nervous_system_neoplasm GAP_HIGH 0.1444 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.42) moricizine thymus_cancer GAP_HIGH 0.1444 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) dextroamphetamine refractive_error GAP_HIGH 0.1444 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) loteprednol primary_biliary_cirrhosis GAP_HIGH 0.1444 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) phenindamine melanoma GAP_HIGH 0.1444 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.33) selegiline stomach_cancer GAP_HIGH 0.1444 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in stomach_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan attention_deficit_hyperactivity_disorder GAP_HIGH 0.1444 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) estradiol_valeratedienogest nephrolithiasis GAP_HIGH 0.1444 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in nephrolithiasis cell model. Expected: similar to exemestane (Jaccard=0.31) cinchocaine alzheimers_disease GAP_HIGH 0.1444 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in alzheimers_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine parkinsons_disease GAP_HIGH 0.1444 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in parkinsons_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.30) ethotoin gout GAP_HIGH 0.1444 0.2916666666666667 phenindione High-priority: Binding assay ethotoin→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.29) pamidronate osteoporosis GAP_HIGH 0.1444 0.2857142857142857 clodronate High-priority: Binding assay pamidronate→?; validate in osteoporosis cell model. Expected: similar to clodronate (Jaccard=0.29) dipivefrin stomach_cancer GAP_HIGH 0.1444 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) isoetarine thymus_cancer GAP_HIGH 0.1444 0.2727272727272727 mesalazine High-priority: Binding assay isoetarine→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.27) methyclothiazide germ_cell_cancer GAP_HIGH 0.1444 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) anisindione creutzfeldt-jakob_disease GAP_HIGH 0.1444 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to cyamemazine (Jaccard=0.20) captopril amyotrophic_lateral_sclerosis GAP_HIGH 0.1444 0.2 moexipril High-priority: Binding assay captopril→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.20) aminocaproic_acid osteoarthritis GAP_HIGH 0.1444 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid vaginal_cancer GAP_HIGH 0.1444 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) aminocaproic_acid vulva_cancer GAP_HIGH 0.1444 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) tioguanine chronic_kidney_failure GAP_HIGH 0.1444 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in chronic_kidney_failure cell model. Expected: similar to moricizine (Jaccard=0.18) vapreotide epilepsy_syndrome GAP_HIGH 0.1444 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in epilepsy_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.18) nicardipine pancreatic_cancer GAP_HIGH 0.1444 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nicardipine stomach_cancer GAP_HIGH 0.1444 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine liver_cancer GAP_HIGH 0.1444 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) sulpiride hepatitis_b GAP_LOW 0.1444 0.13333333333333333 trandolapril Low-priority: Computational docking sulpiride vs hepatitis_b targets. Cross-check sulpiride pharmacophore against hepatitis_b pathway. conivaptan membranous_glomerulonephritis GAP_LOW 0.1444 0.125 tenofovir Low-priority: Computational docking conivaptan vs membranous_glomerulonephritis targets. Cross-check conivaptan pharmacophore against membranous_glomerulonephritis pathway. epoprostenol malignant_mesothelioma GAP_LOW 0.1444 0.125 exemestane Low-priority: Computational docking epoprostenol vs malignant_mesothelioma targets. Cross-check epoprostenol pharmacophore against malignant_mesothelioma pathway. glimepiride membranous_glomerulonephritis GAP_LOW 0.1444 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs membranous_glomerulonephritis targets. Cross-check glimepiride pharmacophore against membranous_glomerulonephritis pathway. quazepam thyroid_cancer GAP_LOW 0.1444 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs thyroid_cancer targets. Cross-check quazepam pharmacophore against thyroid_cancer pathway. doxycycline psoriatic_arthritis GAP_LOW 0.1444 0.10526315789473684 enalapril Low-priority: Computational docking doxycycline vs psoriatic_arthritis targets. Cross-check doxycycline pharmacophore against psoriatic_arthritis pathway. aminophenazone penile_cancer GAP_LOW 0.1444 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs penile_cancer targets. Cross-check aminophenazone pharmacophore against penile_cancer pathway. dinoprost_tromethamine chronic_kidney_failure GAP_LOW 0.1444 0.1 floctafenine Low-priority: Computational docking dinoprost_tromethamine vs chronic_kidney_failure targets. Cross-check dinoprost_tromethamine pharmacophore against chronic_kidney_failure pathway. doxycycline vaginal_cancer GAP_LOW 0.1444 0.1 afatinib Low-priority: Computational docking doxycycline vs vaginal_cancer targets. Cross-check doxycycline pharmacophore against vaginal_cancer pathway. doxycycline vulva_cancer GAP_LOW 0.1444 0.1 afatinib Low-priority: Computational docking doxycycline vs vulva_cancer targets. Cross-check doxycycline pharmacophore against vulva_cancer pathway. labetalol esophageal_cancer GAP_LOW 0.1444 0.1 voacamine Low-priority: Computational docking labetalol vs esophageal_cancer targets. Cross-check labetalol pharmacophore against esophageal_cancer pathway. aminophenazone celiac_disease GAP_LOW 0.1444 0.09090909090909091 spironolactone Low-priority: Computational docking aminophenazone vs celiac_disease targets. Cross-check aminophenazone pharmacophore against celiac_disease pathway. doxycycline crohns_disease GAP_LOW 0.1444 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs crohns_disease targets. Cross-check doxycycline pharmacophore against crohns_disease pathway. antipyrine pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking antipyrine vs pagets_disease_of_bone targets. Cross-check antipyrine pharmacophore against pagets_disease_of_bone pathway. clotrimazole barretts_esophagus GAP_LOW 0.1444 0.0 pantoprazole Low-priority: Computational docking clotrimazole vs barretts_esophagus targets. Cross-check clotrimazole pharmacophore against barretts_esophagus pathway. dyphylline pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking dyphylline vs pagets_disease_of_bone targets. Cross-check dyphylline pharmacophore against pagets_disease_of_bone pathway. fenbufen pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking fenbufen vs pagets_disease_of_bone targets. Cross-check fenbufen pharmacophore against pagets_disease_of_bone pathway. ketazolam pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking ketazolam vs pagets_disease_of_bone targets. Cross-check ketazolam pharmacophore against pagets_disease_of_bone pathway. melatonin pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking melatonin vs pagets_disease_of_bone targets. Cross-check melatonin pharmacophore against pagets_disease_of_bone pathway. methsuximide pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking methsuximide vs pagets_disease_of_bone targets. Cross-check methsuximide pharmacophore against pagets_disease_of_bone pathway. midodrine pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking midodrine vs pagets_disease_of_bone targets. Cross-check midodrine pharmacophore against pagets_disease_of_bone pathway. moexipril pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking moexipril vs pagets_disease_of_bone targets. Cross-check moexipril pharmacophore against pagets_disease_of_bone pathway. pirenzepine barretts_esophagus GAP_LOW 0.1444 0.0 pantoprazole Low-priority: Computational docking pirenzepine vs barretts_esophagus targets. Cross-check pirenzepine pharmacophore against barretts_esophagus pathway. prazepam pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking prazepam vs pagets_disease_of_bone targets. Cross-check prazepam pharmacophore against pagets_disease_of_bone pathway. theophylline pagets_disease_of_bone GAP_LOW 0.1444 0.0 ibandronate Low-priority: Computational docking theophylline vs pagets_disease_of_bone targets. Cross-check theophylline pharmacophore against pagets_disease_of_bone pathway. chlorpromazine malaria GAP_HIGH 0.1443 0.4583333333333333 butabarbital High-priority: Binding assay chlorpromazine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.46) naproxen salivary_gland_cancer GAP_HIGH 0.1443 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) drostanolone hematologic_cancer GAP_HIGH 0.1443 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in hematologic_cancer cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) orphenadrine membranous_glomerulonephritis GAP_HIGH 0.1443 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.33) cinchocaine autistic_disorder GAP_HIGH 0.1443 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in autistic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine nicotine_dependence GAP_HIGH 0.1443 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in nicotine_dependence cell model. Expected: similar to phenmetrazine (Jaccard=0.30) phenylephrine urinary_bladder_cancer GAP_HIGH 0.1443 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) levonorgestrel esophageal_cancer GAP_HIGH 0.1443 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) dipivefrin pancreatic_cancer GAP_HIGH 0.1443 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dipivefrin ulcerative_colitis GAP_HIGH 0.1443 0.2727272727272727 l-dopa High-priority: Binding assay dipivefrin→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.27) mepyramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1443 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.27) tamsulosin nephrolithiasis GAP_HIGH 0.1443 0.2608695652173913 polythiazide High-priority: Binding assay tamsulosin→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.26) chlorpropamide primary_biliary_cirrhosis GAP_HIGH 0.1443 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bezafibrate (Jaccard=0.26) clotiazepam gout GAP_HIGH 0.1443 0.23076923076923078 diazepam High-priority: Binding assay clotiazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.23) amphetamine alzheimers_disease GAP_HIGH 0.1443 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in alzheimers_disease cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) amphetamine parkinsons_disease GAP_HIGH 0.1443 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in parkinsons_disease cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) colchicine malignant_mesothelioma GAP_HIGH 0.1443 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in malignant_mesothelioma cell model. Expected: similar to dexamethasone (Jaccard=0.20) l-arginine alzheimers_disease GAP_HIGH 0.1443 0.2 moexipril High-priority: Binding assay l-arginine→?; validate in alzheimers_disease cell model. Expected: similar to moexipril (Jaccard=0.20) l-arginine parkinsons_disease GAP_HIGH 0.1443 0.2 moexipril High-priority: Binding assay l-arginine→?; validate in parkinsons_disease cell model. Expected: similar to moexipril (Jaccard=0.20) metolazone salivary_gland_cancer GAP_HIGH 0.1443 0.2 clodronate High-priority: Binding assay metolazone→?; validate in salivary_gland_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) aminocaproic_acid testicular_cancer GAP_HIGH 0.1443 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) dinoprostone migraine GAP_HIGH 0.1443 0.16666666666666666 trimetrexate High-priority: Binding assay dinoprostone→?; validate in migraine cell model. Expected: similar to trimetrexate (Jaccard=0.17) emtricitabine migraine GAP_HIGH 0.1443 0.16666666666666666 trimetrexate High-priority: Binding assay emtricitabine→?; validate in migraine cell model. Expected: similar to trimetrexate (Jaccard=0.17) emtricitabine osteoporosis GAP_HIGH 0.1443 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in osteoporosis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) emtricitabine psoriasis GAP_HIGH 0.1443 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in psoriasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) nicardipine psoriasis GAP_HIGH 0.1443 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.17) doxycycline testicular_cancer GAP_LOW 0.1443 0.1 afatinib Low-priority: Computational docking doxycycline vs testicular_cancer targets. Cross-check doxycycline pharmacophore against testicular_cancer pathway. gliquidone hepatitis_b GAP_LOW 0.1443 0.1 aciclovir Low-priority: Computational docking gliquidone vs hepatitis_b targets. Cross-check gliquidone pharmacophore against hepatitis_b pathway. caffeine brain_cancer GAP_LOW 0.1443 0.09090909090909091 podofilox Low-priority: Computational docking caffeine vs brain_cancer targets. Cross-check caffeine pharmacophore against brain_cancer pathway. clofibrate gestational_diabetes GAP_LOW 0.1443 0.07692307692307693 bezafibrate Low-priority: Computational docking clofibrate vs gestational_diabetes targets. Cross-check clofibrate pharmacophore against gestational_diabetes pathway. alpha-linolenic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1443 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check alpha-linolenic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. dinoprostone dilated_cardiomyopathy GAP_LOW 0.1443 0.06666666666666667 medrysone Low-priority: Computational docking dinoprostone vs dilated_cardiomyopathy targets. Cross-check dinoprostone pharmacophore against dilated_cardiomyopathy pathway. zolmitriptan dilated_cardiomyopathy GAP_LOW 0.1443 0.047619047619047616 medrysone Low-priority: Computational docking zolmitriptan vs dilated_cardiomyopathy targets. Cross-check zolmitriptan pharmacophore against dilated_cardiomyopathy pathway. acetylcysteine bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking acetylcysteine vs bone_cancer targets. Cross-check acetylcysteine pharmacophore against bone_cancer pathway. aminolevulinic_acid bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking aminolevulinic_acid vs bone_cancer targets. Cross-check aminolevulinic_acid pharmacophore against bone_cancer pathway. aminolevulinic_acid gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking aminolevulinic_acid vs gestational_diabetes targets. Cross-check aminolevulinic_acid pharmacophore against gestational_diabetes pathway. amobarbital bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking amobarbital vs bone_cancer targets. Cross-check amobarbital pharmacophore against bone_cancer pathway. caffeine bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking caffeine vs bone_cancer targets. Cross-check caffeine pharmacophore against bone_cancer pathway. caffeine gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking caffeine vs gestational_diabetes targets. Cross-check caffeine pharmacophore against gestational_diabetes pathway. dextrothyroxine bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking dextrothyroxine vs bone_cancer targets. Cross-check dextrothyroxine pharmacophore against bone_cancer pathway. dextrothyroxine gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking dextrothyroxine vs gestational_diabetes targets. Cross-check dextrothyroxine pharmacophore against gestational_diabetes pathway. dihomo-gamma-linolenic_acid bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking dihomo-gamma-linolenic_acid vs bone_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against bone_cancer pathway. dihomo-gamma-linolenic_acid gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking dihomo-gamma-linolenic_acid vs gestational_diabetes targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against gestational_diabetes pathway. lubiprostone bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking lubiprostone vs bone_cancer targets. Cross-check lubiprostone pharmacophore against bone_cancer pathway. lubiprostone gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking lubiprostone vs gestational_diabetes targets. Cross-check lubiprostone pharmacophore against gestational_diabetes pathway. penicillamine bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking penicillamine vs bone_cancer targets. Cross-check penicillamine pharmacophore against bone_cancer pathway. penicillamine gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking penicillamine vs gestational_diabetes targets. Cross-check penicillamine pharmacophore against gestational_diabetes pathway. riboflavin gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking riboflavin vs gestational_diabetes targets. Cross-check riboflavin pharmacophore against gestational_diabetes pathway. sodium_tetradecyl_sulfate bone_cancer GAP_LOW 0.1443 0.0 ibandronate Low-priority: Computational docking sodium_tetradecyl_sulfate vs bone_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against bone_cancer pathway. sodium_tetradecyl_sulfate gestational_diabetes GAP_LOW 0.1443 0.0 tolazamide Low-priority: Computational docking sodium_tetradecyl_sulfate vs gestational_diabetes targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against gestational_diabetes pathway. diphenhydramine gilles_de_la_tourette_syndrome GAP_HIGH 0.1442 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to clofedanol (Jaccard=0.53) oxaprozin liver_cancer GAP_HIGH 0.1442 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) alimemazine crohns_disease GAP_HIGH 0.1442 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in crohns_disease cell model. Expected: similar to dimetacrine (Jaccard=0.47) doxepin gilles_de_la_tourette_syndrome GAP_HIGH 0.1442 0.4444444444444444 tolterodine High-priority: Binding assay doxepin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to tolterodine (Jaccard=0.44) naproxen muscle_cancer GAP_HIGH 0.1442 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol pancreatic_cancer GAP_HIGH 0.1442 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in pancreatic_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) masoprocol stomach_cancer GAP_HIGH 0.1442 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in stomach_cancer cell model. Expected: similar to carbidopa (Jaccard=0.43) testosterone_propionate head_and_neck_cancer GAP_HIGH 0.1442 0.42105263157894735 medrysone High-priority: Binding assay testosterone_propionate→?; validate in head_and_neck_cancer cell model. Expected: similar to medrysone (Jaccard=0.42) clonidine lung_cancer GAP_HIGH 0.1442 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) clonidine rectum_cancer GAP_HIGH 0.1442 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) suprofen atopic_dermatitis GAP_HIGH 0.1442 0.4117647058823529 sotalol High-priority: Binding assay suprofen→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.41) sunitinib crohns_disease GAP_HIGH 0.1442 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.40) levonordefrin autistic_disorder GAP_HIGH 0.1442 0.375 l-dopa High-priority: Binding assay levonordefrin→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.38) levonordefrin nicotine_dependence GAP_HIGH 0.1442 0.375 l-dopa High-priority: Binding assay levonordefrin→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.38) loteprednol narcolepsy GAP_HIGH 0.1442 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in narcolepsy cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) selegiline osteoporosis GAP_HIGH 0.1442 0.3333333333333333 dextroamphetamine High-priority: Binding assay selegiline→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.33) selegiline ovarian_cancer GAP_HIGH 0.1442 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) estradiol_valeratedienogest celiac_disease GAP_HIGH 0.1442 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in celiac_disease cell model. Expected: similar to exemestane (Jaccard=0.31) terbutaline sclerosing_cholangitis GAP_HIGH 0.1442 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.31) aspartame lung_cancer GAP_HIGH 0.1442 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame rectum_cancer GAP_HIGH 0.1442 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) agomelatine asthma GAP_HIGH 0.1442 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.26) l-methionine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1442 0.23404255319148937 acetylcysteine High-priority: Binding assay l-methionine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to acetylcysteine (Jaccard=0.23) amlodipine colon_cancer GAP_HIGH 0.1442 0.2 pimozide High-priority: Binding assay amlodipine→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) amphetamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1442 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) l-arginine amyotrophic_lateral_sclerosis GAP_HIGH 0.1442 0.2 moexipril High-priority: Binding assay l-arginine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.20) mephentermine meningioma GAP_HIGH 0.1442 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in meningioma cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone muscle_cancer GAP_HIGH 0.1442 0.2 clodronate High-priority: Binding assay metolazone→?; validate in muscle_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine melanoma GAP_HIGH 0.1442 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in melanoma cell model. Expected: similar to ifenprodil (Jaccard=0.20) aminocaproic_acid vascular_cancer GAP_HIGH 0.1442 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.20) losartan migraine GAP_HIGH 0.1442 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.18) losartan sarcoma GAP_HIGH 0.1442 0.18181818181818182 trandolapril High-priority: Binding assay losartan→?; validate in sarcoma cell model. Expected: similar to trandolapril (Jaccard=0.18) aciclovir testicular_cancer GAP_HIGH 0.1442 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in testicular_cancer cell model. Expected: similar to aspartame (Jaccard=0.17) nicardipine multiple_sclerosis GAP_HIGH 0.1442 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) nicardipine osteoporosis GAP_HIGH 0.1442 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine urinary_bladder_cancer GAP_HIGH 0.1442 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) ranolazine rectum_cancer GAP_HIGH 0.1442 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) amiloride multiple_sclerosis GAP_LOW 0.1442 0.14285714285714285 desipramine Low-priority: Computational docking amiloride vs multiple_sclerosis targets. Cross-check amiloride pharmacophore against multiple_sclerosis pathway. dinoprostone nephrolithiasis GAP_LOW 0.1442 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs nephrolithiasis targets. Cross-check dinoprostone pharmacophore against nephrolithiasis pathway. dinoprost_tromethamine obesity GAP_LOW 0.1442 0.125 naloxone Low-priority: Computational docking dinoprost_tromethamine vs obesity targets. Cross-check dinoprost_tromethamine pharmacophore against obesity pathway. doxycycline vascular_cancer GAP_LOW 0.1442 0.1 afatinib Low-priority: Computational docking doxycycline vs vascular_cancer targets. Cross-check doxycycline pharmacophore against vascular_cancer pathway. glimepiride glaucoma GAP_LOW 0.1442 0.1 methacholine Low-priority: Computational docking glimepiride vs glaucoma targets. Cross-check glimepiride pharmacophore against glaucoma pathway. aprobarbital larynx_cancer GAP_LOW 0.1442 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs larynx_cancer targets. Cross-check aprobarbital pharmacophore against larynx_cancer pathway. butethal larynx_cancer GAP_LOW 0.1442 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs larynx_cancer targets. Cross-check butethal pharmacophore against larynx_cancer pathway. sodium_tetradecyl_sulfate coronary_artery_disease GAP_LOW 0.1442 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs coronary_artery_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against coronary_artery_disease pathway. sodium_tetradecyl_sulfate azoospermia GAP_LOW 0.1442 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs azoospermia targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against azoospermia pathway. alpha-linolenic_acid membranous_glomerulonephritis GAP_LOW 0.1442 0.04878048780487805 fenoprofen Low-priority: Computational docking alpha-linolenic_acid vs membranous_glomerulonephritis targets. Cross-check alpha-linolenic_acid pharmacophore against membranous_glomerulonephritis pathway. methohexital acquired_immunodeficiency_syndrome GAP_LOW 0.1442 0.04 lisinopril Low-priority: Computational docking methohexital vs acquired_immunodeficiency_syndrome targets. Cross-check methohexital pharmacophore against acquired_immunodeficiency_syndrome pathway. naproxen rectum_cancer GAP_HIGH 0.1441 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in rectum_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) desipramine membranous_glomerulonephritis GAP_HIGH 0.1441 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.43) masoprocol ulcerative_colitis GAP_HIGH 0.1441 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in ulcerative_colitis cell model. Expected: similar to carbidopa (Jaccard=0.43) masoprocol esophageal_cancer GAP_HIGH 0.1441 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) selegiline sarcoma GAP_HIGH 0.1441 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in sarcoma cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan asthma GAP_HIGH 0.1441 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in asthma cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan conduct_disorder GAP_HIGH 0.1441 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in conduct_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan panic_disorder GAP_HIGH 0.1441 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in panic_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan schizophrenia GAP_HIGH 0.1441 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in schizophrenia cell model. Expected: similar to cyclandelate (Jaccard=0.33) cinchocaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1441 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.30) aspartame alzheimers_disease GAP_HIGH 0.1441 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in alzheimers_disease cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame liver_cancer GAP_HIGH 0.1441 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame parkinsons_disease GAP_HIGH 0.1441 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in parkinsons_disease cell model. Expected: similar to desipramine (Jaccard=0.29) agomelatine allergic_rhinitis GAP_HIGH 0.1441 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) agomelatine atopic_dermatitis GAP_HIGH 0.1441 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in atopic_dermatitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide coronary_artery_disease GAP_HIGH 0.1441 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in coronary_artery_disease cell model. Expected: similar to bezafibrate (Jaccard=0.26) dopamine ankylosing_spondylitis GAP_HIGH 0.1441 0.25 mebendazole High-priority: Binding assay dopamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.25) etonogestrel larynx_cancer GAP_HIGH 0.1441 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) carvedilol migraine GAP_HIGH 0.1441 0.2 zonisamide High-priority: Binding assay carvedilol→?; validate in migraine cell model. Expected: similar to zonisamide (Jaccard=0.20) carvedilol osteoporosis GAP_HIGH 0.1441 0.2 ibuprofen High-priority: Binding assay carvedilol→?; validate in osteoporosis cell model. Expected: similar to ibuprofen (Jaccard=0.20) carvedilol ovarian_cancer GAP_HIGH 0.1441 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in ovarian_cancer cell model. Expected: similar to sunitinib (Jaccard=0.20) metolazone lung_cancer GAP_HIGH 0.1441 0.2 clodronate High-priority: Binding assay metolazone→?; validate in lung_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) carvedilol membranous_glomerulonephritis GAP_HIGH 0.1441 0.16666666666666666 bumetanide High-priority: Binding assay carvedilol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.17) nicardipine sarcoma GAP_HIGH 0.1441 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) spirapril ankylosing_spondylitis GAP_LOW 0.1441 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs ankylosing_spondylitis targets. Cross-check spirapril pharmacophore against ankylosing_spondylitis pathway. latanoprost malaria GAP_LOW 0.1441 0.13333333333333333 caffeine Low-priority: Computational docking latanoprost vs malaria targets. Cross-check latanoprost pharmacophore against malaria pathway. caffeine meningioma GAP_LOW 0.1441 0.1111111111111111 etoposide Low-priority: Computational docking caffeine vs meningioma targets. Cross-check caffeine pharmacophore against meningioma pathway. midodrine alcohol_dependence GAP_LOW 0.1441 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs alcohol_dependence targets. Cross-check midodrine pharmacophore against alcohol_dependence pathway. dihomo-gamma-linolenic_acid type_1_diabetes_mellitus GAP_LOW 0.1441 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs type_1_diabetes_mellitus targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against type_1_diabetes_mellitus pathway. doxycycline pancreatitis GAP_LOW 0.1441 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs pancreatitis targets. Cross-check doxycycline pharmacophore against pancreatitis pathway. methylphenobarbital gestational_diabetes GAP_LOW 0.1441 0.03225806451612903 bezafibrate Low-priority: Computational docking methylphenobarbital vs gestational_diabetes targets. Cross-check methylphenobarbital pharmacophore against gestational_diabetes pathway. alimemazine barretts_esophagus GAP_LOW 0.1441 0.0 pantoprazole Low-priority: Computational docking alimemazine vs barretts_esophagus targets. Cross-check alimemazine pharmacophore against barretts_esophagus pathway. alitretinoin hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking alitretinoin vs hypothyroidism targets. Cross-check alitretinoin pharmacophore against hypothyroidism pathway. alprazolam hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking alprazolam vs hypothyroidism targets. Cross-check alprazolam pharmacophore against hypothyroidism pathway. azacitidine hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking azacitidine vs hypothyroidism targets. Cross-check azacitidine pharmacophore against hypothyroidism pathway. diclofenamide hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking diclofenamide vs hypothyroidism targets. Cross-check diclofenamide pharmacophore against hypothyroidism pathway. dipivefrin hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking dipivefrin vs hypothyroidism targets. Cross-check dipivefrin pharmacophore against hypothyroidism pathway. droperidol hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking droperidol vs hypothyroidism targets. Cross-check droperidol pharmacophore against hypothyroidism pathway. fluspirilene hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking fluspirilene vs hypothyroidism targets. Cross-check fluspirilene pharmacophore against hypothyroidism pathway. furosemide hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking furosemide vs hypothyroidism targets. Cross-check furosemide pharmacophore against hypothyroidism pathway. meclizine barretts_esophagus GAP_LOW 0.1441 0.0 pantoprazole Low-priority: Computational docking meclizine vs barretts_esophagus targets. Cross-check meclizine pharmacophore against barretts_esophagus pathway. methotrimeprazine barretts_esophagus GAP_LOW 0.1441 0.0 pantoprazole Low-priority: Computational docking methotrimeprazine vs barretts_esophagus targets. Cross-check methotrimeprazine pharmacophore against barretts_esophagus pathway. metolazone hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking metolazone vs hypothyroidism targets. Cross-check metolazone pharmacophore against hypothyroidism pathway. nandrolone_phenpropionate hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking nandrolone_phenpropionate vs hypothyroidism targets. Cross-check nandrolone_phenpropionate pharmacophore against hypothyroidism pathway. norelgestromin hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking norelgestromin vs hypothyroidism targets. Cross-check norelgestromin pharmacophore against hypothyroidism pathway. promethazine barretts_esophagus GAP_LOW 0.1441 0.0 pantoprazole Low-priority: Computational docking promethazine vs barretts_esophagus targets. Cross-check promethazine pharmacophore against barretts_esophagus pathway. regadenoson hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking regadenoson vs hypothyroidism targets. Cross-check regadenoson pharmacophore against hypothyroidism pathway. stanozolol hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking stanozolol vs hypothyroidism targets. Cross-check stanozolol pharmacophore against hypothyroidism pathway. tolmetin hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking tolmetin vs hypothyroidism targets. Cross-check tolmetin pharmacophore against hypothyroidism pathway. tretinoin hypothyroidism GAP_LOW 0.1441 0.0 methimazole Low-priority: Computational docking tretinoin vs hypothyroidism targets. Cross-check tretinoin pharmacophore against hypothyroidism pathway. trifluoperazine barretts_esophagus GAP_LOW 0.1441 0.0 pantoprazole Low-priority: Computational docking trifluoperazine vs barretts_esophagus targets. Cross-check trifluoperazine pharmacophore against barretts_esophagus pathway. temazepam lung_cancer GAP_HIGH 0.144 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in lung_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) temazepam rectum_cancer GAP_HIGH 0.144 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in rectum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) naproxen ocular_cancer GAP_HIGH 0.144 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol osteoporosis GAP_HIGH 0.144 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in osteoporosis cell model. Expected: similar to carbidopa (Jaccard=0.43) clonidine liver_cancer GAP_HIGH 0.144 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) arbutamine stomach_cancer GAP_HIGH 0.144 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in stomach_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) orphenadrine germ_cell_cancer GAP_HIGH 0.144 0.3333333333333333 tamoxifen High-priority: Binding assay orphenadrine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) topotecan allergic_rhinitis GAP_HIGH 0.144 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in allergic_rhinitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan atopic_dermatitis GAP_HIGH 0.144 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in atopic_dermatitis cell model. Expected: similar to cyclandelate (Jaccard=0.33) trilostane coronary_artery_disease GAP_HIGH 0.144 0.29411764705882354 testosterone_propionate High-priority: Binding assay trilostane→?; validate in coronary_artery_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.29) aspartame amyotrophic_lateral_sclerosis GAP_HIGH 0.144 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.29) milnacipran thyroid_cancer GAP_HIGH 0.144 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) amphetamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.144 0.2 isocarboxazid High-priority: Binding assay amphetamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to isocarboxazid (Jaccard=0.20) metolazone ocular_cancer GAP_HIGH 0.144 0.2 clodronate High-priority: Binding assay metolazone→?; validate in ocular_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) losartan duodenum_cancer GAP_HIGH 0.144 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan gallbladder_cancer GAP_HIGH 0.144 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan melanoma GAP_HIGH 0.144 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in melanoma cell model. Expected: similar to irinotecan (Jaccard=0.17) nimodipine chronic_kidney_failure GAP_HIGH 0.144 0.16666666666666666 metolazone High-priority: Binding assay nimodipine→?; validate in chronic_kidney_failure cell model. Expected: similar to metolazone (Jaccard=0.17) dinoprostone penile_cancer GAP_LOW 0.144 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs penile_cancer targets. Cross-check dinoprostone pharmacophore against penile_cancer pathway. gliquidone alzheimers_disease GAP_LOW 0.144 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs alzheimers_disease targets. Cross-check gliquidone pharmacophore against alzheimers_disease pathway. gliquidone parkinsons_disease GAP_LOW 0.144 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs parkinsons_disease targets. Cross-check gliquidone pharmacophore against parkinsons_disease pathway. pasireotide gout GAP_LOW 0.144 0.14285714285714285 zolpidem Low-priority: Computational docking pasireotide vs gout targets. Cross-check pasireotide pharmacophore against gout pathway. pasireotide primary_biliary_cirrhosis GAP_LOW 0.144 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs primary_biliary_cirrhosis targets. Cross-check pasireotide pharmacophore against primary_biliary_cirrhosis pathway. aminophenazone membranous_glomerulonephritis GAP_LOW 0.144 0.09523809523809523 naftifine Low-priority: Computational docking aminophenazone vs membranous_glomerulonephritis targets. Cross-check aminophenazone pharmacophore against membranous_glomerulonephritis pathway. penicillamine sclerosing_cholangitis GAP_LOW 0.144 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs sclerosing_cholangitis targets. Cross-check penicillamine pharmacophore against sclerosing_cholangitis pathway. l-cystine head_and_neck_cancer GAP_LOW 0.144 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs head_and_neck_cancer targets. Cross-check l-cystine pharmacophore against head_and_neck_cancer pathway. l-cystine malignant_glioma GAP_LOW 0.144 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs malignant_glioma targets. Cross-check l-cystine pharmacophore against malignant_glioma pathway. ibuprofen gestational_diabetes GAP_LOW 0.144 0.037037037037037035 bezafibrate Low-priority: Computational docking ibuprofen vs gestational_diabetes targets. Cross-check ibuprofen pharmacophore against gestational_diabetes pathway. l-cystine type_1_diabetes_mellitus GAP_LOW 0.144 0.03333333333333333 rimexolone Low-priority: Computational docking l-cystine vs type_1_diabetes_mellitus targets. Cross-check l-cystine pharmacophore against type_1_diabetes_mellitus pathway. pheniramine gout GAP_HIGH 0.1439 0.5 trimipramine High-priority: Binding assay pheniramine→?; validate in gout cell model. Expected: similar to trimipramine (Jaccard=0.50) azelastine narcolepsy GAP_HIGH 0.1439 0.4444444444444444 chlorpromazine High-priority: Binding assay azelastine→?; validate in narcolepsy cell model. Expected: similar to chlorpromazine (Jaccard=0.44) naproxen liver_cancer GAP_HIGH 0.1439 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in liver_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) oxcarbazepine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1439 0.4166666666666667 phenindione High-priority: Binding assay oxcarbazepine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenindione (Jaccard=0.42) acetophenazine narcolepsy GAP_HIGH 0.1439 0.4 mequitazine High-priority: Binding assay acetophenazine→?; validate in narcolepsy cell model. Expected: similar to mequitazine (Jaccard=0.40) arbutamine pancreatic_cancer GAP_HIGH 0.1439 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in pancreatic_cancer cell model. Expected: similar to droxidopa (Jaccard=0.35) topotecan bipolar_disorder GAP_HIGH 0.1439 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in bipolar_disorder cell model. Expected: similar to cyclandelate (Jaccard=0.33) phenylephrine colon_cancer GAP_HIGH 0.1439 0.2857142857142857 levonordefrin High-priority: Binding assay phenylephrine→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.29) phenylephrine panic_disorder GAP_HIGH 0.1439 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.29) phenylephrine schizophrenia GAP_HIGH 0.1439 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.29) gliclazide duodenum_cancer GAP_HIGH 0.1439 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide gallbladder_cancer GAP_HIGH 0.1439 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide melanoma GAP_HIGH 0.1439 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.27) dopamine epilepsy_syndrome GAP_HIGH 0.1439 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.25) amlodipine ovarian_cancer GAP_HIGH 0.1439 0.2 pimozide High-priority: Binding assay amlodipine→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) captopril colon_cancer GAP_HIGH 0.1439 0.2 doxorubicin High-priority: Binding assay captopril→?; validate in colon_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) metolazone liver_cancer GAP_HIGH 0.1439 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in liver_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) aminocaproic_acid uterine_fibroid GAP_HIGH 0.1439 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.20) desipramine pagets_disease_of_bone GAP_HIGH 0.1439 0.16666666666666666 histamine_phosphate High-priority: Binding assay desipramine→?; validate in pagets_disease_of_bone cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) nicardipine systemic_lupus_erythematosus GAP_HIGH 0.1439 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.17) stanozolol alcohol_dependence GAP_HIGH 0.1439 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in alcohol_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.17) gliquidone amyotrophic_lateral_sclerosis GAP_LOW 0.1439 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs amyotrophic_lateral_sclerosis targets. Cross-check gliquidone pharmacophore against amyotrophic_lateral_sclerosis pathway. gliquidone autistic_disorder GAP_LOW 0.1439 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs autistic_disorder targets. Cross-check gliquidone pharmacophore against autistic_disorder pathway. gliquidone nicotine_dependence GAP_LOW 0.1439 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs nicotine_dependence targets. Cross-check gliquidone pharmacophore against nicotine_dependence pathway. salbutamol leprosy GAP_LOW 0.1439 0.14285714285714285 lenalidomide Low-priority: Computational docking salbutamol vs leprosy targets. Cross-check salbutamol pharmacophore against leprosy pathway. chlorthalidone leprosy GAP_LOW 0.1439 0.13953488372093023 phensuximide Low-priority: Computational docking chlorthalidone vs leprosy targets. Cross-check chlorthalidone pharmacophore against leprosy pathway. doxycycline uterine_fibroid GAP_LOW 0.1439 0.1 afatinib Low-priority: Computational docking doxycycline vs uterine_fibroid targets. Cross-check doxycycline pharmacophore against uterine_fibroid pathway. glipizide lymphatic_system_cancer GAP_LOW 0.1439 0.1 aciclovir Low-priority: Computational docking glipizide vs lymphatic_system_cancer targets. Cross-check glipizide pharmacophore against lymphatic_system_cancer pathway. sodium_tetradecyl_sulfate pancreatitis GAP_LOW 0.1439 0.07692307692307693 dexamethasone Low-priority: Computational docking sodium_tetradecyl_sulfate vs pancreatitis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against pancreatitis pathway. ibuprofen dilated_cardiomyopathy GAP_LOW 0.1439 0.05555555555555555 drospirenone Low-priority: Computational docking ibuprofen vs dilated_cardiomyopathy targets. Cross-check ibuprofen pharmacophore against dilated_cardiomyopathy pathway. nitisinone lymphatic_system_cancer GAP_LOW 0.1439 0.05263157894736842 riboflavin Low-priority: Computational docking nitisinone vs lymphatic_system_cancer targets. Cross-check nitisinone pharmacophore against lymphatic_system_cancer pathway. succinic_acid head_and_neck_cancer GAP_LOW 0.1439 0.04 medrysone Low-priority: Computational docking succinic_acid vs head_and_neck_cancer targets. Cross-check succinic_acid pharmacophore against head_and_neck_cancer pathway. succinic_acid malignant_glioma GAP_LOW 0.1439 0.04 medrysone Low-priority: Computational docking succinic_acid vs malignant_glioma targets. Cross-check succinic_acid pharmacophore against malignant_glioma pathway. l-cystine kidney_cancer GAP_LOW 0.1439 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs kidney_cancer targets. Cross-check l-cystine pharmacophore against kidney_cancer pathway. temazepam liver_cancer GAP_HIGH 0.1438 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in liver_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) loxapine sclerosing_cholangitis GAP_HIGH 0.1438 0.46153846153846156 chlordiazepoxide High-priority: Binding assay loxapine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.46) bepridil uterine_cancer GAP_HIGH 0.1438 0.4444444444444444 tamoxifen High-priority: Binding assay bepridil→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.44) methotrexate systemic_lupus_erythematosus GAP_HIGH 0.1438 0.42857142857142855 trifluridine High-priority: Binding assay methotrexate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to trifluridine (Jaccard=0.43) oxcarbazepine epilepsy_syndrome GAP_HIGH 0.1438 0.4166666666666667 phenindione High-priority: Binding assay oxcarbazepine→?; validate in epilepsy_syndrome cell model. Expected: similar to phenindione (Jaccard=0.42) propafenone refractive_error GAP_HIGH 0.1438 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.39) cortisone_acetate malignant_mesothelioma GAP_HIGH 0.1438 0.375 prednisone High-priority: Binding assay cortisone_acetate→?; validate in malignant_mesothelioma cell model. Expected: similar to prednisone (Jaccard=0.38) benzatropine prostate_cancer GAP_HIGH 0.1438 0.3684210526315789 pheniramine High-priority: Binding assay benzatropine→?; validate in prostate_cancer cell model. Expected: similar to pheniramine (Jaccard=0.37) clobazam sclerosing_cholangitis GAP_HIGH 0.1438 0.36363636363636365 chlordiazepoxide High-priority: Binding assay clobazam→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.36) arbutamine ulcerative_colitis GAP_HIGH 0.1438 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in ulcerative_colitis cell model. Expected: similar to droxidopa (Jaccard=0.35) methadyl_acetate prostate_cancer GAP_HIGH 0.1438 0.3333333333333333 isopropamide High-priority: Binding assay methadyl_acetate→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) topotecan endogenous_depression GAP_HIGH 0.1438 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in endogenous_depression cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan osteoporosis GAP_HIGH 0.1438 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in osteoporosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan psoriasis GAP_HIGH 0.1438 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in psoriasis cell model. Expected: similar to cyclandelate (Jaccard=0.33) cinchocaine asthma GAP_HIGH 0.1438 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in asthma cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine breast_cancer GAP_HIGH 0.1438 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine conduct_disorder GAP_HIGH 0.1438 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in conduct_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine panic_disorder GAP_HIGH 0.1438 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in panic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.30) cinchocaine schizophrenia GAP_HIGH 0.1438 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in schizophrenia cell model. Expected: similar to phenmetrazine (Jaccard=0.30) phenmetrazine rectum_cancer GAP_HIGH 0.1438 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) phenylephrine stomach_cancer GAP_HIGH 0.1438 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) fenbufen melanoma GAP_HIGH 0.1438 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.27) methyclothiazide penile_cancer GAP_HIGH 0.1438 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) anisindione chronic_obstructive_pulmonary_disease GAP_HIGH 0.1438 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to carbamazepine (Jaccard=0.20) carvedilol systemic_lupus_erythematosus GAP_HIGH 0.1438 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.20) nisoldipine creutzfeldt-jakob_disease GAP_HIGH 0.1438 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to ifenprodil (Jaccard=0.20) doxylamine alcohol_dependence GAP_HIGH 0.1438 0.1875 ethylmorphine High-priority: Binding assay doxylamine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.19) ibuprofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1438 0.18181818181818182 epinephrine High-priority: Binding assay ibuprofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.18) vapreotide alzheimers_disease GAP_HIGH 0.1438 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in alzheimers_disease cell model. Expected: similar to deferasirox (Jaccard=0.18) pralatrexate acquired_immunodeficiency_syndrome GAP_HIGH 0.1438 0.17647058823529413 floxuridine High-priority: Binding assay pralatrexate→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to floxuridine (Jaccard=0.18) amphetamine refractive_error GAP_HIGH 0.1438 0.16666666666666666 choline High-priority: Binding assay amphetamine→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) clofibrate membranous_glomerulonephritis GAP_HIGH 0.1438 0.16666666666666666 mitiglinide High-priority: Binding assay clofibrate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.17) emtricitabine osteoarthritis GAP_HIGH 0.1438 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in osteoarthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) dinoprostone malignant_mesothelioma GAP_LOW 0.1438 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs malignant_mesothelioma targets. Cross-check dinoprostone pharmacophore against malignant_mesothelioma pathway. eprosartan hematologic_cancer GAP_LOW 0.1438 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs hematologic_cancer targets. Cross-check eprosartan pharmacophore against hematologic_cancer pathway. eprosartan narcolepsy GAP_LOW 0.1438 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs narcolepsy targets. Cross-check eprosartan pharmacophore against narcolepsy pathway. nicardipine celiac_disease GAP_LOW 0.1438 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nicardipine vs celiac_disease targets. Cross-check nicardipine pharmacophore against celiac_disease pathway. dinoprost_tromethamine narcolepsy GAP_LOW 0.1438 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs narcolepsy targets. Cross-check dinoprost_tromethamine pharmacophore against narcolepsy pathway. glisoxepide lymphatic_system_cancer GAP_LOW 0.1438 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs lymphatic_system_cancer targets. Cross-check glisoxepide pharmacophore against lymphatic_system_cancer pathway. heptabarbital esophageal_cancer GAP_LOW 0.1438 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs esophageal_cancer targets. Cross-check heptabarbital pharmacophore against esophageal_cancer pathway. tofisopam dilated_cardiomyopathy GAP_LOW 0.1438 0.08333333333333333 milrinone Low-priority: Computational docking tofisopam vs dilated_cardiomyopathy targets. Cross-check tofisopam pharmacophore against dilated_cardiomyopathy pathway. ibuprofen acquired_immunodeficiency_syndrome GAP_LOW 0.1438 0.07692307692307693 mitiglinide Low-priority: Computational docking ibuprofen vs acquired_immunodeficiency_syndrome targets. Cross-check ibuprofen pharmacophore against acquired_immunodeficiency_syndrome pathway. alpha-linolenic_acid lung_cancer GAP_LOW 0.1438 0.06666666666666667 salicylate-sodium Low-priority: Computational docking alpha-linolenic_acid vs lung_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against lung_cancer pathway. succinic_acid kidney_cancer GAP_LOW 0.1438 0.04 medrysone Low-priority: Computational docking succinic_acid vs kidney_cancer targets. Cross-check succinic_acid pharmacophore against kidney_cancer pathway. l-cystine nephrolithiasis GAP_LOW 0.1438 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs nephrolithiasis targets. Cross-check l-cystine pharmacophore against nephrolithiasis pathway. l-dopa barretts_esophagus GAP_LOW 0.1438 0.0 pantoprazole Low-priority: Computational docking l-dopa vs barretts_esophagus targets. Cross-check l-dopa pharmacophore against barretts_esophagus pathway. methdilazine barretts_esophagus GAP_LOW 0.1438 0.0 pantoprazole Low-priority: Computational docking methdilazine vs barretts_esophagus targets. Cross-check methdilazine pharmacophore against barretts_esophagus pathway. perphenazine barretts_esophagus GAP_LOW 0.1438 0.0 pantoprazole Low-priority: Computational docking perphenazine vs barretts_esophagus targets. Cross-check perphenazine pharmacophore against barretts_esophagus pathway. pipotiazine barretts_esophagus GAP_LOW 0.1438 0.0 pantoprazole Low-priority: Computational docking pipotiazine vs barretts_esophagus targets. Cross-check pipotiazine pharmacophore against barretts_esophagus pathway. naproxen peripheral_nervous_system_neoplasm GAP_HIGH 0.1437 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to procarbazine (Jaccard=0.44) naproxen urinary_bladder_cancer GAP_HIGH 0.1437 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) masoprocol systemic_lupus_erythematosus GAP_HIGH 0.1437 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to carbidopa (Jaccard=0.43) diclofenac ankylosing_spondylitis GAP_HIGH 0.1437 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in ankylosing_spondylitis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) levonordefrin conduct_disorder GAP_HIGH 0.1437 0.375 l-dopa High-priority: Binding assay levonordefrin→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.38) chlorprothixene alcohol_dependence GAP_HIGH 0.1437 0.36585365853658536 mazindol High-priority: Binding assay chlorprothixene→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.37) arbutamine osteoporosis GAP_HIGH 0.1437 0.35294117647058826 droxidopa High-priority: Binding assay arbutamine→?; validate in osteoporosis cell model. Expected: similar to droxidopa (Jaccard=0.35) clonazepam azoospermia GAP_HIGH 0.1437 0.3448275862068966 chlorpromazine High-priority: Binding assay clonazepam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.34) lapatinib skin_cancer GAP_HIGH 0.1437 0.3333333333333333 afatinib High-priority: Binding assay lapatinib→?; validate in skin_cancer cell model. Expected: similar to afatinib (Jaccard=0.33) topotecan migraine GAP_HIGH 0.1437 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay topotecan→?; validate in migraine cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) topotecan multiple_sclerosis GAP_HIGH 0.1437 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in multiple_sclerosis cell model. Expected: similar to cyclandelate (Jaccard=0.33) topotecan ovarian_cancer GAP_HIGH 0.1437 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.33) terbutaline ankylosing_spondylitis GAP_HIGH 0.1437 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in ankylosing_spondylitis cell model. Expected: similar to methyldopa (Jaccard=0.31) cinchocaine allergic_rhinitis GAP_HIGH 0.1437 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in allergic_rhinitis cell model. Expected: similar to phenmetrazine (Jaccard=0.30) phenylephrine pancreatic_cancer GAP_HIGH 0.1437 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.29) phenylephrine ulcerative_colitis GAP_HIGH 0.1437 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.29) disopyramide gout GAP_HIGH 0.1437 0.25 benzatropine High-priority: Binding assay disopyramide→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.25) dopamine pancreatitis GAP_HIGH 0.1437 0.25 vincristine High-priority: Binding assay dopamine→?; validate in pancreatitis cell model. Expected: similar to vincristine (Jaccard=0.25) methsuximide pharynx_cancer GAP_HIGH 0.1437 0.20833333333333334 phenylbutazone High-priority: Binding assay methsuximide→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.21) amphetamine asthma GAP_HIGH 0.1437 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in asthma cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) colchicine meningioma GAP_HIGH 0.1437 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in meningioma cell model. Expected: similar to dexamethasone (Jaccard=0.20) metolazone peripheral_nervous_system_neoplasm GAP_HIGH 0.1437 0.2 clodronate High-priority: Binding assay metolazone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone urinary_bladder_cancer GAP_HIGH 0.1437 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in urinary_bladder_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) amlodipine narcolepsy GAP_HIGH 0.1437 0.18181818181818182 difenoxin High-priority: Binding assay amlodipine→?; validate in narcolepsy cell model. Expected: similar to difenoxin (Jaccard=0.18) tropicamide prostate_cancer GAP_HIGH 0.1437 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) vapreotide autistic_disorder GAP_HIGH 0.1437 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in autistic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide parkinsons_disease GAP_HIGH 0.1437 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in parkinsons_disease cell model. Expected: similar to deferasirox (Jaccard=0.18) amlodipine azoospermia GAP_HIGH 0.1437 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.17) losartan sclerosing_cholangitis GAP_HIGH 0.1437 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in sclerosing_cholangitis cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine stomach_cancer GAP_HIGH 0.1437 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) dihomo-gamma-linolenic_acid hypertension GAP_LOW 0.1437 0.14285714285714285 treprostinil Low-priority: Computational docking dihomo-gamma-linolenic_acid vs hypertension targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against hypertension pathway. gliquidone attention_deficit_hyperactivity_disorder GAP_LOW 0.1437 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs attention_deficit_hyperactivity_disorder targets. Cross-check gliquidone pharmacophore against attention_deficit_hyperactivity_disorder pathway. oxyphenonium head_and_neck_cancer GAP_LOW 0.1437 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs head_and_neck_cancer targets. Cross-check oxyphenonium pharmacophore against head_and_neck_cancer pathway. oxyphenonium malignant_glioma GAP_LOW 0.1437 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs malignant_glioma targets. Cross-check oxyphenonium pharmacophore against malignant_glioma pathway. phenobarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1437 0.13333333333333333 ephedrine Low-priority: Computational docking phenobarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check phenobarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. pyrimethamine brain_cancer GAP_LOW 0.1437 0.125 methotrexate Low-priority: Computational docking pyrimethamine vs brain_cancer targets. Cross-check pyrimethamine pharmacophore against brain_cancer pathway. pyrimethamine intracranial_aneurysm GAP_LOW 0.1437 0.125 methotrexate Low-priority: Computational docking pyrimethamine vs intracranial_aneurysm targets. Cross-check pyrimethamine pharmacophore against intracranial_aneurysm pathway. norethindrone hypothyroidism GAP_LOW 0.1437 0.1 methimazole Low-priority: Computational docking norethindrone vs hypothyroidism targets. Cross-check norethindrone pharmacophore against hypothyroidism pathway. talbutal germ_cell_cancer GAP_LOW 0.1437 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs germ_cell_cancer targets. Cross-check talbutal pharmacophore against germ_cell_cancer pathway. doxycycline liver_cancer GAP_LOW 0.1437 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs liver_cancer targets. Cross-check doxycycline pharmacophore against liver_cancer pathway. penicillamine azoospermia GAP_LOW 0.1437 0.07142857142857142 phenylpropanolamine Low-priority: Computational docking penicillamine vs azoospermia targets. Cross-check penicillamine pharmacophore against azoospermia pathway. tetracycline lymphatic_system_cancer GAP_LOW 0.1437 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs lymphatic_system_cancer targets. Cross-check tetracycline pharmacophore against lymphatic_system_cancer pathway. alpha-linolenic_acid alzheimers_disease GAP_LOW 0.1437 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs alzheimers_disease targets. Cross-check alpha-linolenic_acid pharmacophore against alzheimers_disease pathway. alpha-linolenic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1437 0.05555555555555555 dextroamphetamine Low-priority: Computational docking alpha-linolenic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check alpha-linolenic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. succinic_acid nephrolithiasis GAP_LOW 0.1437 0.04 medrysone Low-priority: Computational docking succinic_acid vs nephrolithiasis targets. Cross-check succinic_acid pharmacophore against nephrolithiasis pathway. fluoxymesterone restless_legs_syndrome GAP_HIGH 0.1436 0.5217391304347826 hydrocortisone High-priority: Binding assay fluoxymesterone→?; validate in restless_legs_syndrome cell model. Expected: similar to hydrocortisone (Jaccard=0.52) cyclizine multiple_sclerosis GAP_HIGH 0.1436 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in multiple_sclerosis cell model. Expected: similar to benzatropine (Jaccard=0.42) sunitinib gout GAP_HIGH 0.1436 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.40) propafenone chronic_kidney_failure GAP_HIGH 0.1436 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in chronic_kidney_failure cell model. Expected: similar to propranolol (Jaccard=0.39) norethindrone dilated_cardiomyopathy GAP_HIGH 0.1436 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.33) cinchocaine bipolar_disorder GAP_HIGH 0.1436 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in bipolar_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.30) ethotoin rectum_cancer GAP_HIGH 0.1436 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) phenylephrine multiple_sclerosis GAP_HIGH 0.1436 0.2857142857142857 levonordefrin High-priority: Binding assay phenylephrine→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.29) phenylephrine osteoporosis GAP_HIGH 0.1436 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in osteoporosis cell model. Expected: similar to l-dopa (Jaccard=0.29) gliclazide sclerosing_cholangitis GAP_HIGH 0.1436 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) floxuridine esophageal_cancer GAP_HIGH 0.1436 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) amphetamine allergic_rhinitis GAP_HIGH 0.1436 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in allergic_rhinitis cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) amphetamine atopic_dermatitis GAP_HIGH 0.1436 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in atopic_dermatitis cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) amphetamine hypertension GAP_HIGH 0.1436 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in hypertension cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) captopril multiple_sclerosis GAP_HIGH 0.1436 0.2 glucosamine High-priority: Binding assay captopril→?; validate in multiple_sclerosis cell model. Expected: similar to glucosamine (Jaccard=0.20) captopril osteoporosis GAP_HIGH 0.1436 0.2 glucosamine High-priority: Binding assay captopril→?; validate in osteoporosis cell model. Expected: similar to glucosamine (Jaccard=0.20) aminocaproic_acid polycystic_ovary_syndrome GAP_HIGH 0.1436 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.20) clotiazepam atherosclerosis GAP_HIGH 0.1436 0.17857142857142858 flurbiprofen High-priority: Binding assay clotiazepam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.18) aciclovir restless_legs_syndrome GAP_HIGH 0.1436 0.16666666666666666 aspartame High-priority: Binding assay aciclovir→?; validate in restless_legs_syndrome cell model. Expected: similar to aspartame (Jaccard=0.17) nicardipine testicular_cancer GAP_HIGH 0.1436 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nicardipine vaginal_cancer GAP_HIGH 0.1436 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in vaginal_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) nilvadipine pancreatic_cancer GAP_HIGH 0.1436 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) eprosartan celiac_disease GAP_LOW 0.1436 0.125 cinnarizine Low-priority: Computational docking eprosartan vs celiac_disease targets. Cross-check eprosartan pharmacophore against celiac_disease pathway. amiloride celiac_disease GAP_LOW 0.1436 0.1111111111111111 progesterone Low-priority: Computational docking amiloride vs celiac_disease targets. Cross-check amiloride pharmacophore against celiac_disease pathway. irbesartan celiac_disease GAP_LOW 0.1436 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs celiac_disease targets. Cross-check irbesartan pharmacophore against celiac_disease pathway. l-carnitine acquired_immunodeficiency_syndrome GAP_LOW 0.1436 0.10526315789473684 cladribine Low-priority: Computational docking l-carnitine vs acquired_immunodeficiency_syndrome targets. Cross-check l-carnitine pharmacophore against acquired_immunodeficiency_syndrome pathway. aminophenazone meningioma GAP_LOW 0.1436 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs meningioma targets. Cross-check aminophenazone pharmacophore against meningioma pathway. alpha-linolenic_acid amyotrophic_lateral_sclerosis GAP_LOW 0.1436 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs amyotrophic_lateral_sclerosis targets. Cross-check alpha-linolenic_acid pharmacophore against amyotrophic_lateral_sclerosis pathway. alpha-linolenic_acid parkinsons_disease GAP_LOW 0.1436 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs parkinsons_disease targets. Cross-check alpha-linolenic_acid pharmacophore against parkinsons_disease pathway. dextrothyroxine gilles_de_la_tourette_syndrome GAP_LOW 0.1436 0.05 loperamide Low-priority: Computational docking dextrothyroxine vs gilles_de_la_tourette_syndrome targets. Cross-check dextrothyroxine pharmacophore against gilles_de_la_tourette_syndrome pathway. cyclizine sarcoma GAP_HIGH 0.1435 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.42) phenindamine thyroid_cancer GAP_HIGH 0.1435 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) topotecan systemic_lupus_erythematosus GAP_HIGH 0.1435 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclandelate (Jaccard=0.33) cinchocaine endogenous_depression GAP_HIGH 0.1435 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in endogenous_depression cell model. Expected: similar to phenmetrazine (Jaccard=0.30) alprazolam skin_cancer GAP_HIGH 0.1435 0.2903225806451613 flurbiprofen High-priority: Binding assay alprazolam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.29) aspartame asthma GAP_HIGH 0.1435 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in asthma cell model. Expected: similar to desipramine (Jaccard=0.29) phenmetrazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1435 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.29) phenylephrine migraine GAP_HIGH 0.1435 0.2857142857142857 l-dopa High-priority: Binding assay phenylephrine→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.29) dopamine muscle_cancer GAP_HIGH 0.1435 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.25) milnacipran muscle_cancer GAP_HIGH 0.1435 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) methyclothiazide malignant_mesothelioma GAP_HIGH 0.1435 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.21) mephentermine prostate_cancer GAP_HIGH 0.1435 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in prostate_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) nisoldipine pharynx_cancer GAP_HIGH 0.1435 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) tafluprost metabolic_syndrome_x GAP_HIGH 0.1435 0.2 azatadine High-priority: Binding assay tafluprost→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.20) tropicamide mediastinal_cancer GAP_HIGH 0.1435 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) nicardipine vascular_cancer GAP_HIGH 0.1435 0.16666666666666666 clotrimazole High-priority: Binding assay nicardipine→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine multiple_sclerosis GAP_HIGH 0.1435 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine osteoporosis GAP_HIGH 0.1435 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine psoriasis GAP_HIGH 0.1435 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.17) quinestrol azoospermia GAP_HIGH 0.1435 0.16666666666666666 dienestrol High-priority: Binding assay quinestrol→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.17) aprobarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1435 0.11764705882352941 ephedrine Low-priority: Computational docking aprobarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check aprobarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. butethal idiopathic_pulmonary_fibrosis GAP_LOW 0.1435 0.11764705882352941 ephedrine Low-priority: Computational docking butethal vs idiopathic_pulmonary_fibrosis targets. Cross-check butethal pharmacophore against idiopathic_pulmonary_fibrosis pathway. amiloride chronic_kidney_failure GAP_LOW 0.1435 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking amiloride vs chronic_kidney_failure targets. Cross-check amiloride pharmacophore against chronic_kidney_failure pathway. dihomo-gamma-linolenic_acid germ_cell_cancer GAP_LOW 0.1435 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs germ_cell_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against germ_cell_cancer pathway. irbesartan chronic_kidney_failure GAP_LOW 0.1435 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs chronic_kidney_failure targets. Cross-check irbesartan pharmacophore against chronic_kidney_failure pathway. arbutamine pagets_disease_of_bone GAP_LOW 0.1435 0.09090909090909091 clodronate Low-priority: Computational docking arbutamine vs pagets_disease_of_bone targets. Cross-check arbutamine pharmacophore against pagets_disease_of_bone pathway. dronedarone duodenum_cancer GAP_LOW 0.1435 0.08695652173913043 naftifine Low-priority: Computational docking dronedarone vs duodenum_cancer targets. Cross-check dronedarone pharmacophore against duodenum_cancer pathway. dronedarone gallbladder_cancer GAP_LOW 0.1435 0.08695652173913043 naftifine Low-priority: Computational docking dronedarone vs gallbladder_cancer targets. Cross-check dronedarone pharmacophore against gallbladder_cancer pathway. penicillamine ankylosing_spondylitis GAP_LOW 0.1435 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs ankylosing_spondylitis targets. Cross-check penicillamine pharmacophore against ankylosing_spondylitis pathway. succinic_acid celiac_disease GAP_LOW 0.1435 0.04 medrysone Low-priority: Computational docking succinic_acid vs celiac_disease targets. Cross-check succinic_acid pharmacophore against celiac_disease pathway. tamoxifen chronic_kidney_failure GAP_HIGH 0.1434 0.5 promethazine High-priority: Binding assay tamoxifen→?; validate in chronic_kidney_failure cell model. Expected: similar to promethazine (Jaccard=0.50) phenylpropanolamine osteoporosis GAP_HIGH 0.1434 0.4375 pargyline High-priority: Binding assay phenylpropanolamine→?; validate in osteoporosis cell model. Expected: similar to pargyline (Jaccard=0.44) clonidine colon_cancer GAP_HIGH 0.1434 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in colon_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) clonidine stomach_cancer GAP_HIGH 0.1434 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in stomach_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) moricizine melanoma GAP_HIGH 0.1434 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.41) topotecan metabolic_syndrome_x GAP_HIGH 0.1434 0.3333333333333333 moexipril High-priority: Binding assay topotecan→?; validate in metabolic_syndrome_x cell model. Expected: similar to moexipril (Jaccard=0.33) cinchocaine multiple_sclerosis GAP_HIGH 0.1434 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in multiple_sclerosis cell model. Expected: similar to phenmetrazine (Jaccard=0.30) ethotoin liver_cancer GAP_HIGH 0.1434 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) ziprasidone schizophrenia GAP_HIGH 0.1434 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in schizophrenia cell model. Expected: similar to oxazepam (Jaccard=0.30) aspartame atopic_dermatitis GAP_HIGH 0.1434 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in atopic_dermatitis cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame breast_cancer GAP_HIGH 0.1434 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in breast_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame colon_cancer GAP_HIGH 0.1434 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame stomach_cancer GAP_HIGH 0.1434 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) adinazolam systemic_lupus_erythematosus GAP_HIGH 0.1434 0.2631578947368421 chlordiazepoxide High-priority: Binding assay adinazolam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) dopamine lung_cancer GAP_HIGH 0.1434 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine rectum_cancer GAP_HIGH 0.1434 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) thalidomide lymphatic_system_cancer GAP_HIGH 0.1434 0.24 glucosamine High-priority: Binding assay thalidomide→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.24) aminocaproic_acid rheumatoid_arthritis GAP_HIGH 0.1434 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.20) tropicamide thymus_cancer GAP_HIGH 0.1434 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) vapreotide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1434 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to deferasirox (Jaccard=0.18) estropipate creutzfeldt-jakob_disease GAP_HIGH 0.1434 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to raloxifene (Jaccard=0.17) nilvadipine sarcoma GAP_HIGH 0.1434 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) ranolazine colon_cancer GAP_HIGH 0.1434 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in colon_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) gliquidone conduct_disorder GAP_LOW 0.1434 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs conduct_disorder targets. Cross-check gliquidone pharmacophore against conduct_disorder pathway. spirapril lung_cancer GAP_LOW 0.1434 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs lung_cancer targets. Cross-check spirapril pharmacophore against lung_cancer pathway. quazepam urinary_bladder_cancer GAP_LOW 0.1434 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs urinary_bladder_cancer targets. Cross-check quazepam pharmacophore against urinary_bladder_cancer pathway. succinic_acid coronary_artery_disease GAP_LOW 0.1434 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs coronary_artery_disease targets. Cross-check succinic_acid pharmacophore against coronary_artery_disease pathway. methylphenobarbital dilated_cardiomyopathy GAP_LOW 0.1434 0.045454545454545456 rimexolone Low-priority: Computational docking methylphenobarbital vs dilated_cardiomyopathy targets. Cross-check methylphenobarbital pharmacophore against dilated_cardiomyopathy pathway. diphenhydramine barretts_esophagus GAP_LOW 0.1434 0.0 pantoprazole Low-priority: Computational docking diphenhydramine vs barretts_esophagus targets. Cross-check diphenhydramine pharmacophore against barretts_esophagus pathway. estrone barretts_esophagus GAP_LOW 0.1434 0.0 pantoprazole Low-priority: Computational docking estrone vs barretts_esophagus targets. Cross-check estrone pharmacophore against barretts_esophagus pathway. pheniramine barretts_esophagus GAP_LOW 0.1434 0.0 pantoprazole Low-priority: Computational docking pheniramine vs barretts_esophagus targets. Cross-check pheniramine pharmacophore against barretts_esophagus pathway. propericiazine barretts_esophagus GAP_LOW 0.1434 0.0 pantoprazole Low-priority: Computational docking propericiazine vs barretts_esophagus targets. Cross-check propericiazine pharmacophore against barretts_esophagus pathway. oxaprozin uterine_cancer GAP_HIGH 0.1433 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) chlordiazepoxide duodenum_cancer GAP_HIGH 0.1433 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in duodenum_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) chlordiazepoxide gallbladder_cancer GAP_HIGH 0.1433 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in gallbladder_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) sorafenib thyroid_cancer GAP_HIGH 0.1433 0.42105263157894735 pazopanib High-priority: Binding assay sorafenib→?; validate in thyroid_cancer cell model. Expected: similar to pazopanib (Jaccard=0.42) azatadine vascular_cancer GAP_HIGH 0.1433 0.4166666666666667 trifluoperazine High-priority: Binding assay azatadine→?; validate in vascular_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.42) clonidine pancreatic_cancer GAP_HIGH 0.1433 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in pancreatic_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) loxapine atherosclerosis GAP_HIGH 0.1433 0.38235294117647056 flurbiprofen High-priority: Binding assay loxapine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.38) levonordefrin migraine GAP_HIGH 0.1433 0.375 l-dopa High-priority: Binding assay levonordefrin→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.38) methadyl_acetate hematologic_cancer GAP_HIGH 0.1433 0.3333333333333333 isopropamide High-priority: Binding assay methadyl_acetate→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) topotecan osteoarthritis GAP_HIGH 0.1433 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in osteoarthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) cinolazepam sclerosing_cholangitis GAP_HIGH 0.1433 0.3125 fludiazepam High-priority: Binding assay cinolazepam→?; validate in sclerosing_cholangitis cell model. Expected: similar to fludiazepam (Jaccard=0.31) terbutaline pancreatitis GAP_HIGH 0.1433 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.31) ziprasidone hypertension GAP_HIGH 0.1433 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in hypertension cell model. Expected: similar to azatadine (Jaccard=0.30) diethylpropion glaucoma GAP_HIGH 0.1433 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) aspartame allergic_rhinitis GAP_HIGH 0.1433 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in allergic_rhinitis cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame pancreatic_cancer GAP_HIGH 0.1433 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) dobutamine hematologic_cancer GAP_HIGH 0.1433 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in hematologic_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) dobutamine narcolepsy GAP_HIGH 0.1433 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.27) adinazolam metabolic_syndrome_x GAP_HIGH 0.1433 0.2631578947368421 chlordiazepoxide High-priority: Binding assay adinazolam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) chlorpropamide melanoma GAP_HIGH 0.1433 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in melanoma cell model. Expected: similar to bezafibrate (Jaccard=0.26) amphetamine migraine GAP_HIGH 0.1433 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in migraine cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) amphetamine multiple_sclerosis GAP_HIGH 0.1433 0.2 dextroamphetamine High-priority: Binding assay amphetamine→?; validate in multiple_sclerosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.20) l-arginine multiple_sclerosis GAP_HIGH 0.1433 0.2 glucosamine High-priority: Binding assay l-arginine→?; validate in multiple_sclerosis cell model. Expected: similar to glucosamine (Jaccard=0.20) mephentermine mediastinal_cancer GAP_HIGH 0.1433 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in mediastinal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone breast_cancer GAP_HIGH 0.1433 0.2 clodronate High-priority: Binding assay metolazone→?; validate in breast_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone colon_cancer GAP_HIGH 0.1433 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in colon_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) nisoldipine thyroid_cancer GAP_HIGH 0.1433 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in thyroid_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) losartan systemic_scleroderma GAP_HIGH 0.1433 0.18181818181818182 trandolapril High-priority: Binding assay losartan→?; validate in systemic_scleroderma cell model. Expected: similar to trandolapril (Jaccard=0.18) losartan pharynx_cancer GAP_HIGH 0.1433 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in pharynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) pentostatin brain_cancer GAP_HIGH 0.1433 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in brain_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) pentostatin intracranial_aneurysm GAP_HIGH 0.1433 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in intracranial_aneurysm cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) nicardipine pharynx_cancer GAP_HIGH 0.1433 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) spironolactone hypothyroidism GAP_LOW 0.1433 0.125 methimazole Low-priority: Computational docking spironolactone vs hypothyroidism targets. Cross-check spironolactone pharmacophore against hypothyroidism pathway. zolmitriptan azoospermia GAP_LOW 0.1433 0.125 naproxen Low-priority: Computational docking zolmitriptan vs azoospermia targets. Cross-check zolmitriptan pharmacophore against azoospermia pathway. zolmitriptan kidney_cancer GAP_LOW 0.1433 0.11764705882352941 sulfamethizole Low-priority: Computational docking zolmitriptan vs kidney_cancer targets. Cross-check zolmitriptan pharmacophore against kidney_cancer pathway. succinic_acid panic_disorder GAP_LOW 0.1433 0.06666666666666667 benzyl_alcohol Low-priority: Computational docking succinic_acid vs panic_disorder targets. Cross-check succinic_acid pharmacophore against panic_disorder pathway. succinic_acid schizophrenia GAP_LOW 0.1433 0.06666666666666667 benzyl_alcohol Low-priority: Computational docking succinic_acid vs schizophrenia targets. Cross-check succinic_acid pharmacophore against schizophrenia pathway. chlorpromazine crohns_disease GAP_HIGH 0.1432 0.52 methdilazine High-priority: Binding assay chlorpromazine→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.52) bepridil vulva_cancer GAP_HIGH 0.1432 0.4444444444444444 tamoxifen High-priority: Binding assay bepridil→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.44) naproxen stomach_cancer GAP_HIGH 0.1432 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in stomach_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) methotrexate systemic_scleroderma GAP_HIGH 0.1432 0.42857142857142855 trifluridine High-priority: Binding assay methotrexate→?; validate in systemic_scleroderma cell model. Expected: similar to trifluridine (Jaccard=0.43) selegiline uterine_fibroid GAP_HIGH 0.1432 0.3333333333333333 cyclandelate High-priority: Binding assay selegiline→?; validate in uterine_fibroid cell model. Expected: similar to cyclandelate (Jaccard=0.33) ziprasidone bipolar_disorder GAP_HIGH 0.1432 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in bipolar_disorder cell model. Expected: similar to oxazepam (Jaccard=0.30) aspartame psoriasis GAP_HIGH 0.1432 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in psoriasis cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame ulcerative_colitis GAP_HIGH 0.1432 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.29) ketorolac atherosclerosis GAP_HIGH 0.1432 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in atherosclerosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) chlorpropamide duodenum_cancer GAP_HIGH 0.1432 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in duodenum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide gallbladder_cancer GAP_HIGH 0.1432 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in gallbladder_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) dopamine liver_cancer GAP_HIGH 0.1432 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pemetrexed autistic_disorder GAP_HIGH 0.1432 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.25) pemetrexed nicotine_dependence GAP_HIGH 0.1432 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.25) anisindione lung_cancer GAP_HIGH 0.1432 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in lung_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) anisindione rectum_cancer GAP_HIGH 0.1432 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in rectum_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) carvedilol systemic_scleroderma GAP_HIGH 0.1432 0.2 sunitinib High-priority: Binding assay carvedilol→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.20) mephentermine thymus_cancer GAP_HIGH 0.1432 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in thymus_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol head_and_neck_cancer GAP_HIGH 0.1432 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in head_and_neck_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol malignant_glioma GAP_HIGH 0.1432 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in malignant_glioma cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone stomach_cancer GAP_HIGH 0.1432 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in stomach_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) moexipril celiac_disease GAP_HIGH 0.1432 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in celiac_disease cell model. Expected: similar to cyclandelate (Jaccard=0.20) nisoldipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1432 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine epilepsy_syndrome GAP_HIGH 0.1432 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in epilepsy_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.20) vapreotide panic_disorder GAP_HIGH 0.1432 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in panic_disorder cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide schizophrenia GAP_HIGH 0.1432 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in schizophrenia cell model. Expected: similar to deferasirox (Jaccard=0.18) nicardipine uterine_fibroid GAP_HIGH 0.1432 0.16666666666666666 proparacaine High-priority: Binding assay nicardipine→?; validate in uterine_fibroid cell model. Expected: similar to proparacaine (Jaccard=0.17) nilvadipine systemic_lupus_erythematosus GAP_HIGH 0.1432 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.17) ranolazine ulcerative_colitis GAP_HIGH 0.1432 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in ulcerative_colitis cell model. Expected: similar to methylphenidate (Jaccard=0.17) ranolazine mediastinal_cancer GAP_LOW 0.1432 0.15 warfarin Low-priority: Computational docking ranolazine vs mediastinal_cancer targets. Cross-check ranolazine pharmacophore against mediastinal_cancer pathway. dinoprostone meningioma GAP_LOW 0.1432 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs meningioma targets. Cross-check dinoprostone pharmacophore against meningioma pathway. gliquidone bipolar_disorder GAP_LOW 0.1432 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs bipolar_disorder targets. Cross-check gliquidone pharmacophore against bipolar_disorder pathway. nilvadipine celiac_disease GAP_LOW 0.1432 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nilvadipine vs celiac_disease targets. Cross-check nilvadipine pharmacophore against celiac_disease pathway. carboprost_tromethamine pancreatitis GAP_LOW 0.1432 0.125 exemestane Low-priority: Computational docking carboprost_tromethamine vs pancreatitis targets. Cross-check carboprost_tromethamine pharmacophore against pancreatitis pathway. epoprostenol prostate_cancer GAP_LOW 0.1432 0.125 exemestane Low-priority: Computational docking epoprostenol vs prostate_cancer targets. Cross-check epoprostenol pharmacophore against prostate_cancer pathway. dinoprostone larynx_cancer GAP_LOW 0.1432 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs larynx_cancer targets. Cross-check dinoprostone pharmacophore against larynx_cancer pathway. riboflavin germ_cell_cancer GAP_LOW 0.1432 0.1 epirubicin Low-priority: Computational docking riboflavin vs germ_cell_cancer targets. Cross-check riboflavin pharmacophore against germ_cell_cancer pathway. tauroursodeoxycholic_acid gout GAP_LOW 0.1432 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs gout targets. Cross-check tauroursodeoxycholic_acid pharmacophore against gout pathway. dronedarone sclerosing_cholangitis GAP_LOW 0.1432 0.08695652173913043 fentanyl Low-priority: Computational docking dronedarone vs sclerosing_cholangitis targets. Cross-check dronedarone pharmacophore against sclerosing_cholangitis pathway. estradiol hypothyroidism GAP_LOW 0.1432 0.08333333333333333 methimazole Low-priority: Computational docking estradiol vs hypothyroidism targets. Cross-check estradiol pharmacophore against hypothyroidism pathway. spirapril lymphatic_system_cancer GAP_LOW 0.1432 0.08333333333333333 glucosamine Low-priority: Computational docking spirapril vs lymphatic_system_cancer targets. Cross-check spirapril pharmacophore against lymphatic_system_cancer pathway. riboflavin malaria GAP_LOW 0.1432 0.05555555555555555 phensuximide Low-priority: Computational docking riboflavin vs malaria targets. Cross-check riboflavin pharmacophore against malaria pathway. temazepam stomach_cancer GAP_HIGH 0.1431 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in stomach_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) clonidine ovarian_cancer GAP_HIGH 0.1431 0.4117647058823529 bromfenac High-priority: Binding assay clonidine→?; validate in ovarian_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) atropine parkinsons_disease GAP_HIGH 0.1431 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay atropine→?; validate in parkinsons_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) tripelennamine gout GAP_HIGH 0.1431 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in gout cell model. Expected: similar to alimemazine (Jaccard=0.33) sulfaphenazole chronic_obstructive_pulmonary_disease GAP_HIGH 0.1431 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) ziprasidone psoriasis GAP_HIGH 0.1431 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in psoriasis cell model. Expected: similar to azatadine (Jaccard=0.30) aspartame migraine GAP_HIGH 0.1431 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in migraine cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame multiple_sclerosis GAP_HIGH 0.1431 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in multiple_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame osteoporosis GAP_HIGH 0.1431 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in osteoporosis cell model. Expected: similar to desipramine (Jaccard=0.29) aspartame ovarian_cancer GAP_HIGH 0.1431 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.29) phenylephrine osteoarthritis GAP_HIGH 0.1431 0.2857142857142857 levonordefrin High-priority: Binding assay phenylephrine→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.29) gliclazide ankylosing_spondylitis GAP_HIGH 0.1431 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) dopamine autistic_disorder GAP_HIGH 0.1431 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine nicotine_dependence GAP_HIGH 0.1431 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.25) anisindione alzheimers_disease GAP_HIGH 0.1431 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in alzheimers_disease cell model. Expected: similar to carbamazepine (Jaccard=0.20) anisindione liver_cancer GAP_HIGH 0.1431 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in liver_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) anisindione parkinsons_disease GAP_HIGH 0.1431 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in parkinsons_disease cell model. Expected: similar to cyamemazine (Jaccard=0.20) metaraminol kidney_cancer GAP_HIGH 0.1431 0.2 benzocaine High-priority: Binding assay metaraminol→?; validate in kidney_cancer cell model. Expected: similar to benzocaine (Jaccard=0.20) metolazone pancreatic_cancer GAP_HIGH 0.1431 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in pancreatic_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) metolazone ulcerative_colitis GAP_HIGH 0.1431 0.2 clodronate High-priority: Binding assay metolazone→?; validate in ulcerative_colitis cell model. Expected: similar to clodronate (Jaccard=0.20) norepinephrine larynx_cancer GAP_HIGH 0.1431 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) aminocaproic_acid psoriatic_arthritis GAP_HIGH 0.1431 0.19696969696969696 l-serine High-priority: Binding assay aminocaproic_acid→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.20) vapreotide asthma GAP_HIGH 0.1431 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in asthma cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide breast_cancer GAP_HIGH 0.1431 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in breast_cancer cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide conduct_disorder GAP_HIGH 0.1431 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in conduct_disorder cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide hypertension GAP_HIGH 0.1431 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in hypertension cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan thyroid_cancer GAP_HIGH 0.1431 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in thyroid_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) ranolazine ovarian_cancer GAP_HIGH 0.1431 0.16666666666666666 methylphenidate High-priority: Binding assay ranolazine→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) lercanidipine azoospermia GAP_HIGH 0.1431 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in azoospermia cell model. Expected: similar to ifenprodil (Jaccard=0.15) ranolazine thymus_cancer GAP_LOW 0.1431 0.15 warfarin Low-priority: Computational docking ranolazine vs thymus_cancer targets. Cross-check ranolazine pharmacophore against thymus_cancer pathway. gliquidone endogenous_depression GAP_LOW 0.1431 0.14285714285714285 lisinopril Low-priority: Computational docking gliquidone vs endogenous_depression targets. Cross-check gliquidone pharmacophore against endogenous_depression pathway. adenosine bone_cancer GAP_LOW 0.1431 0.125 tetrahydrofolic_acid Low-priority: Computational docking adenosine vs bone_cancer targets. Cross-check adenosine pharmacophore against bone_cancer pathway. dinoprost_tromethamine psoriatic_arthritis GAP_LOW 0.1431 0.125 cyproterone_acetate Low-priority: Computational docking dinoprost_tromethamine vs psoriatic_arthritis targets. Cross-check dinoprost_tromethamine pharmacophore against psoriatic_arthritis pathway. pasireotide glaucoma GAP_LOW 0.1431 0.125 methacholine Low-priority: Computational docking pasireotide vs glaucoma targets. Cross-check pasireotide pharmacophore against glaucoma pathway. moexipril bone_cancer GAP_LOW 0.1431 0.1111111111111111 alendronate Low-priority: Computational docking moexipril vs bone_cancer targets. Cross-check moexipril pharmacophore against bone_cancer pathway. pravastatin malaria GAP_LOW 0.1431 0.09090909090909091 caffeine Low-priority: Computational docking pravastatin vs malaria targets. Cross-check pravastatin pharmacophore against malaria pathway. penicillamine pancreatitis GAP_LOW 0.1431 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs pancreatitis targets. Cross-check penicillamine pharmacophore against pancreatitis pathway. halazepam leprosy GAP_LOW 0.1431 0.07317073170731707 phensuximide Low-priority: Computational docking halazepam vs leprosy targets. Cross-check halazepam pharmacophore against leprosy pathway. dronedarone refractive_error GAP_LOW 0.1431 0.05555555555555555 sotalol Low-priority: Computational docking dronedarone vs refractive_error targets. Cross-check dronedarone pharmacophore against refractive_error pathway. folic_acid barretts_esophagus GAP_LOW 0.1431 0.0 pantoprazole Low-priority: Computational docking folic_acid vs barretts_esophagus targets. Cross-check folic_acid pharmacophore against barretts_esophagus pathway. melphalan barretts_esophagus GAP_LOW 0.1431 0.0 pantoprazole Low-priority: Computational docking melphalan vs barretts_esophagus targets. Cross-check melphalan pharmacophore against barretts_esophagus pathway. tetrahydrofolic_acid barretts_esophagus GAP_LOW 0.1431 0.0 pantoprazole Low-priority: Computational docking tetrahydrofolic_acid vs barretts_esophagus targets. Cross-check tetrahydrofolic_acid pharmacophore against barretts_esophagus pathway. thioproperazine barretts_esophagus GAP_LOW 0.1431 0.0 pantoprazole Low-priority: Computational docking thioproperazine vs barretts_esophagus targets. Cross-check thioproperazine pharmacophore against barretts_esophagus pathway. temazepam pancreatic_cancer GAP_HIGH 0.143 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in pancreatic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) naproxen ovarian_cancer GAP_HIGH 0.143 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in ovarian_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naproxen uterine_cancer GAP_HIGH 0.143 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naftifine esophageal_cancer GAP_HIGH 0.143 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) bromfenac atherosclerosis GAP_HIGH 0.143 0.4090909090909091 naproxen High-priority: Binding assay bromfenac→?; validate in atherosclerosis cell model. Expected: similar to naproxen (Jaccard=0.41) acenocoumarol systemic_lupus_erythematosus GAP_HIGH 0.143 0.3333333333333333 phenindione High-priority: Binding assay acenocoumarol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenindione (Jaccard=0.33) loteprednol creutzfeldt-jakob_disease GAP_HIGH 0.143 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) loteprednol sclerosing_cholangitis GAP_HIGH 0.143 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in sclerosing_cholangitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) mestranol malignant_mesothelioma GAP_HIGH 0.143 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in malignant_mesothelioma cell model. Expected: similar to exemestane (Jaccard=0.33) phenindamine muscle_cancer GAP_HIGH 0.143 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) topotecan obesity GAP_HIGH 0.143 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay topotecan→?; validate in obesity cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) terbutaline lung_cancer GAP_HIGH 0.143 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in lung_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) terbutaline rectum_cancer GAP_HIGH 0.143 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in rectum_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) ziprasidone osteoporosis GAP_HIGH 0.143 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in osteoporosis cell model. Expected: similar to oxazepam (Jaccard=0.30) dopamine urinary_bladder_cancer GAP_HIGH 0.143 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) milnacipran urinary_bladder_cancer GAP_HIGH 0.143 0.25 reboxetine High-priority: Binding assay milnacipran→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) pemetrexed attention_deficit_hyperactivity_disorder GAP_HIGH 0.143 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.25) methyclothiazide meningioma GAP_HIGH 0.143 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.21) methsuximide salivary_gland_cancer GAP_HIGH 0.143 0.20833333333333334 phenylbutazone High-priority: Binding assay methsuximide→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.21) anisindione amyotrophic_lateral_sclerosis GAP_HIGH 0.143 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to cyamemazine (Jaccard=0.20) anisindione autistic_disorder GAP_HIGH 0.143 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in autistic_disorder cell model. Expected: similar to carbamazepine (Jaccard=0.20) anisindione nicotine_dependence GAP_HIGH 0.143 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in nicotine_dependence cell model. Expected: similar to carbamazepine (Jaccard=0.20) colchicine idiopathic_pulmonary_fibrosis GAP_HIGH 0.143 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine prostate_cancer GAP_HIGH 0.143 0.2 vincristine High-priority: Binding assay colchicine→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) metaraminol nephrolithiasis GAP_HIGH 0.143 0.2 benzocaine High-priority: Binding assay metaraminol→?; validate in nephrolithiasis cell model. Expected: similar to benzocaine (Jaccard=0.20) metolazone osteoporosis GAP_HIGH 0.143 0.2 clodronate High-priority: Binding assay metolazone→?; validate in osteoporosis cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone ovarian_cancer GAP_HIGH 0.143 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in ovarian_cancer cell model. Expected: similar to etidronic_acid (Jaccard=0.20) metolazone psoriasis GAP_HIGH 0.143 0.2 clodronate High-priority: Binding assay metolazone→?; validate in psoriasis cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone uterine_cancer GAP_HIGH 0.143 0.2 clodronate High-priority: Binding assay metolazone→?; validate in uterine_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine pancreatitis GAP_HIGH 0.143 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in pancreatitis cell model. Expected: similar to ifenprodil (Jaccard=0.20) tioguanine membranous_glomerulonephritis GAP_HIGH 0.143 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to moricizine (Jaccard=0.18) vapreotide allergic_rhinitis GAP_HIGH 0.143 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in allergic_rhinitis cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide bipolar_disorder GAP_HIGH 0.143 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in bipolar_disorder cell model. Expected: similar to deferasirox (Jaccard=0.18) esmolol type_1_diabetes_mellitus GAP_HIGH 0.143 0.15384615384615385 gliquidone High-priority: Binding assay esmolol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.15) nicardipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.143 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.15) estriol narcolepsy GAP_LOW 0.143 0.14285714285714285 l-tryptophan Low-priority: Computational docking estriol vs narcolepsy targets. Cross-check estriol pharmacophore against narcolepsy pathway. telbivudine brain_cancer GAP_LOW 0.143 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs brain_cancer targets. Cross-check telbivudine pharmacophore against brain_cancer pathway. telbivudine intracranial_aneurysm GAP_LOW 0.143 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs intracranial_aneurysm targets. Cross-check telbivudine pharmacophore against intracranial_aneurysm pathway. epoprostenol mediastinal_cancer GAP_LOW 0.143 0.125 exemestane Low-priority: Computational docking epoprostenol vs mediastinal_cancer targets. Cross-check epoprostenol pharmacophore against mediastinal_cancer pathway. quinapril membranous_glomerulonephritis GAP_LOW 0.143 0.125 alvimopan Low-priority: Computational docking quinapril vs membranous_glomerulonephritis targets. Cross-check quinapril pharmacophore against membranous_glomerulonephritis pathway. zolmitriptan celiac_disease GAP_LOW 0.143 0.11764705882352941 sulfamethizole Low-priority: Computational docking zolmitriptan vs celiac_disease targets. Cross-check zolmitriptan pharmacophore against celiac_disease pathway. dinoprost_tromethamine membranous_glomerulonephritis GAP_LOW 0.143 0.1 floctafenine Low-priority: Computational docking dinoprost_tromethamine vs membranous_glomerulonephritis targets. Cross-check dinoprost_tromethamine pharmacophore against membranous_glomerulonephritis pathway. doxycycline hypertension GAP_LOW 0.143 0.09090909090909091 rescinnamine Low-priority: Computational docking doxycycline vs hypertension targets. Cross-check doxycycline pharmacophore against hypertension pathway. melatonin leprosy GAP_LOW 0.143 0.09090909090909091 sulfamethizole Low-priority: Computational docking melatonin vs leprosy targets. Cross-check melatonin pharmacophore against leprosy pathway. primidone brain_cancer GAP_LOW 0.143 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs brain_cancer targets. Cross-check primidone pharmacophore against brain_cancer pathway. primidone intracranial_aneurysm GAP_LOW 0.143 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs intracranial_aneurysm targets. Cross-check primidone pharmacophore against intracranial_aneurysm pathway. tauroursodeoxycholic_acid coronary_artery_disease GAP_LOW 0.143 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs coronary_artery_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against coronary_artery_disease pathway. amodiaquine gestational_diabetes GAP_LOW 0.143 0.05405405405405406 bezafibrate Low-priority: Computational docking amodiaquine vs gestational_diabetes targets. Cross-check amodiaquine pharmacophore against gestational_diabetes pathway. acepromazine crohns_disease GAP_HIGH 0.1429 0.5 nortriptyline High-priority: Binding assay acepromazine→?; validate in crohns_disease cell model. Expected: similar to nortriptyline (Jaccard=0.50) promethazine celiac_disease GAP_HIGH 0.1429 0.5 benzatropine High-priority: Binding assay promethazine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.50) temazepam uterine_cancer GAP_HIGH 0.1429 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in uterine_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) methdilazine kidney_cancer GAP_HIGH 0.1429 0.4583333333333333 quinacrine High-priority: Binding assay methdilazine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.46) naproxen sarcoma GAP_HIGH 0.1429 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in sarcoma cell model. Expected: similar to procarbazine (Jaccard=0.44) phentermine glaucoma GAP_HIGH 0.1429 0.35714285714285715 phenylpropanolamine High-priority: Binding assay phentermine→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) phenindamine lung_cancer GAP_HIGH 0.1429 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in lung_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) aspartame systemic_lupus_erythematosus GAP_HIGH 0.1429 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.29) adinazolam obesity GAP_HIGH 0.1429 0.2631578947368421 chlordiazepoxide High-priority: Binding assay adinazolam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) chlorpropamide sclerosing_cholangitis GAP_HIGH 0.1429 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in sclerosing_cholangitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) dopamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1429 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.25) nilotinib larynx_cancer GAP_HIGH 0.1429 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) metolazone sarcoma GAP_HIGH 0.1429 0.2 clodronate High-priority: Binding assay metolazone→?; validate in sarcoma cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine salivary_gland_cancer GAP_HIGH 0.1429 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) vapreotide endogenous_depression GAP_HIGH 0.1429 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in endogenous_depression cell model. Expected: similar to deferasirox (Jaccard=0.18) zafirlukast acquired_immunodeficiency_syndrome GAP_HIGH 0.1429 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.18) nilvadipine testicular_cancer GAP_HIGH 0.1429 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) nilvadipine vaginal_cancer GAP_HIGH 0.1429 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in vaginal_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) pasireotide duodenum_cancer GAP_LOW 0.1429 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs duodenum_cancer targets. Cross-check pasireotide pharmacophore against duodenum_cancer pathway. pasireotide gallbladder_cancer GAP_LOW 0.1429 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs gallbladder_cancer targets. Cross-check pasireotide pharmacophore against gallbladder_cancer pathway. pasireotide melanoma GAP_LOW 0.1429 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs melanoma targets. Cross-check pasireotide pharmacophore against melanoma pathway. epoprostenol primary_biliary_cirrhosis GAP_LOW 0.1429 0.125 exemestane Low-priority: Computational docking epoprostenol vs primary_biliary_cirrhosis targets. Cross-check epoprostenol pharmacophore against primary_biliary_cirrhosis pathway. pyrimethamine head_and_neck_cancer GAP_LOW 0.1429 0.125 methotrexate Low-priority: Computational docking pyrimethamine vs head_and_neck_cancer targets. Cross-check pyrimethamine pharmacophore against head_and_neck_cancer pathway. pyrimethamine malignant_glioma GAP_LOW 0.1429 0.125 methotrexate Low-priority: Computational docking pyrimethamine vs malignant_glioma targets. Cross-check pyrimethamine pharmacophore against malignant_glioma pathway. calcium_acetate panic_disorder GAP_LOW 0.1429 0.1111111111111111 l-lysine Low-priority: Computational docking calcium_acetate vs panic_disorder targets. Cross-check calcium_acetate pharmacophore against panic_disorder pathway. dihomo-gamma-linolenic_acid penile_cancer GAP_LOW 0.1429 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs penile_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against penile_cancer pathway. amobarbital head_and_neck_cancer GAP_LOW 0.1429 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs head_and_neck_cancer targets. Cross-check amobarbital pharmacophore against head_and_neck_cancer pathway. carboprost_tromethamine atherosclerosis GAP_LOW 0.1429 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs atherosclerosis targets. Cross-check carboprost_tromethamine pharmacophore against atherosclerosis pathway. dienestrol hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking dienestrol vs hypothyroidism targets. Cross-check dienestrol pharmacophore against hypothyroidism pathway. enalapril hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking enalapril vs hypothyroidism targets. Cross-check enalapril pharmacophore against hypothyroidism pathway. estazolam hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking estazolam vs hypothyroidism targets. Cross-check estazolam pharmacophore against hypothyroidism pathway. glucosamine hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking glucosamine vs hypothyroidism targets. Cross-check glucosamine pharmacophore against hypothyroidism pathway. levomilnacipran hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking levomilnacipran vs hypothyroidism targets. Cross-check levomilnacipran pharmacophore against hypothyroidism pathway. metaraminol hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking metaraminol vs hypothyroidism targets. Cross-check metaraminol pharmacophore against hypothyroidism pathway. milnacipran hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking milnacipran vs hypothyroidism targets. Cross-check milnacipran pharmacophore against hypothyroidism pathway. pimozide hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking pimozide vs hypothyroidism targets. Cross-check pimozide pharmacophore against hypothyroidism pathway. pirbuterol hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking pirbuterol vs hypothyroidism targets. Cross-check pirbuterol pharmacophore against hypothyroidism pathway. salbutamol hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking salbutamol vs hypothyroidism targets. Cross-check salbutamol pharmacophore against hypothyroidism pathway. trilostane hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking trilostane vs hypothyroidism targets. Cross-check trilostane pharmacophore against hypothyroidism pathway. zidovudine hypothyroidism GAP_LOW 0.1429 0.0 methimazole Low-priority: Computational docking zidovudine vs hypothyroidism targets. Cross-check zidovudine pharmacophore against hypothyroidism pathway. cyclizine obesity GAP_HIGH 0.1428 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in obesity cell model. Expected: similar to benzatropine (Jaccard=0.42) diclofenac alzheimers_disease GAP_HIGH 0.1428 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in alzheimers_disease cell model. Expected: similar to chlorthalidone (Jaccard=0.38) diclofenac parkinsons_disease GAP_HIGH 0.1428 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in parkinsons_disease cell model. Expected: similar to chlorthalidone (Jaccard=0.38) benzatropine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1428 0.36363636363636365 atomoxetine High-priority: Binding assay benzatropine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.36) clobazam muscle_cancer GAP_HIGH 0.1428 0.36363636363636365 azelastine High-priority: Binding assay clobazam→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.36) oxazepam duodenum_cancer GAP_HIGH 0.1428 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in duodenum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) oxazepam gallbladder_cancer GAP_HIGH 0.1428 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in gallbladder_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) topotecan systemic_scleroderma GAP_HIGH 0.1428 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in systemic_scleroderma cell model. Expected: similar to cyclandelate (Jaccard=0.33) methylprednisolone esophageal_cancer GAP_HIGH 0.1428 0.3157894736842105 fludrocortisone High-priority: Binding assay methylprednisolone→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.32) terbutaline liver_cancer GAP_HIGH 0.1428 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in liver_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) ziprasidone systemic_lupus_erythematosus GAP_HIGH 0.1428 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to azatadine (Jaccard=0.30) fenbufen thyroid_cancer GAP_HIGH 0.1428 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) gemcitabine acquired_immunodeficiency_syndrome GAP_HIGH 0.1428 0.26666666666666666 floxuridine High-priority: Binding assay gemcitabine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to floxuridine (Jaccard=0.27) ephedrine focal_segmental_glomerulosclerosis GAP_HIGH 0.1428 0.21428571428571427 chlorthalidone High-priority: Binding assay ephedrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.21) methsuximide ocular_cancer GAP_HIGH 0.1428 0.20833333333333334 phenylbutazone High-priority: Binding assay methsuximide→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.21) carvedilol restless_legs_syndrome GAP_HIGH 0.1428 0.2 zonisamide High-priority: Binding assay carvedilol→?; validate in restless_legs_syndrome cell model. Expected: similar to zonisamide (Jaccard=0.20) colchicine mediastinal_cancer GAP_HIGH 0.1428 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in mediastinal_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) nisoldipine muscle_cancer GAP_HIGH 0.1428 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in muscle_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) losartan vitiligo GAP_HIGH 0.1428 0.18181818181818182 lisinopril High-priority: Binding assay losartan→?; validate in vitiligo cell model. Expected: similar to lisinopril (Jaccard=0.18) vapreotide migraine GAP_HIGH 0.1428 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in migraine cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide multiple_sclerosis GAP_HIGH 0.1428 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in multiple_sclerosis cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide osteoporosis GAP_HIGH 0.1428 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in osteoporosis cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide psoriasis GAP_HIGH 0.1428 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in psoriasis cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan pancreatitis GAP_HIGH 0.1428 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in pancreatitis cell model. Expected: similar to irinotecan (Jaccard=0.17) methylphenobarbital penile_cancer GAP_LOW 0.1428 0.13333333333333333 diphenylpyraline Low-priority: Computational docking methylphenobarbital vs penile_cancer targets. Cross-check methylphenobarbital pharmacophore against penile_cancer pathway. epoprostenol thymus_cancer GAP_LOW 0.1428 0.125 exemestane Low-priority: Computational docking epoprostenol vs thymus_cancer targets. Cross-check epoprostenol pharmacophore against thymus_cancer pathway. nabumetone alcohol_dependence GAP_LOW 0.1428 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs alcohol_dependence targets. Cross-check nabumetone pharmacophore against alcohol_dependence pathway. calcium_acetate schizophrenia GAP_LOW 0.1428 0.1111111111111111 l-lysine Low-priority: Computational docking calcium_acetate vs schizophrenia targets. Cross-check calcium_acetate pharmacophore against schizophrenia pathway. doxycycline ulcerative_colitis GAP_LOW 0.1428 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs ulcerative_colitis targets. Cross-check doxycycline pharmacophore against ulcerative_colitis pathway. eprosartan lymphatic_system_cancer GAP_LOW 0.1428 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs lymphatic_system_cancer targets. Cross-check eprosartan pharmacophore against lymphatic_system_cancer pathway. quazepam glaucoma GAP_LOW 0.1428 0.07692307692307693 practolol Low-priority: Computational docking quazepam vs glaucoma targets. Cross-check quazepam pharmacophore against glaucoma pathway. succinic_acid crohns_disease GAP_LOW 0.1428 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs crohns_disease targets. Cross-check succinic_acid pharmacophore against crohns_disease pathway. l-cystine celiac_disease GAP_LOW 0.1428 0.03571428571428571 clocortolone Low-priority: Computational docking l-cystine vs celiac_disease targets. Cross-check l-cystine pharmacophore against celiac_disease pathway. naftifine barretts_esophagus GAP_LOW 0.1428 0.0 pantoprazole Low-priority: Computational docking naftifine vs barretts_esophagus targets. Cross-check naftifine pharmacophore against barretts_esophagus pathway. promazine barretts_esophagus GAP_LOW 0.1428 0.0 pantoprazole Low-priority: Computational docking promazine vs barretts_esophagus targets. Cross-check promazine pharmacophore against barretts_esophagus pathway. trimipramine barretts_esophagus GAP_LOW 0.1428 0.0 pantoprazole Low-priority: Computational docking trimipramine vs barretts_esophagus targets. Cross-check trimipramine pharmacophore against barretts_esophagus pathway. warfarin barretts_esophagus GAP_LOW 0.1428 0.0 pantoprazole Low-priority: Computational docking warfarin vs barretts_esophagus targets. Cross-check warfarin pharmacophore against barretts_esophagus pathway. dimetacrine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1427 0.5185185185185185 diphenhydramine High-priority: Binding assay dimetacrine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.52) oxaprozin vaginal_cancer GAP_HIGH 0.1427 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) oxaprozin vulva_cancer GAP_HIGH 0.1427 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.50) diclofenac amyotrophic_lateral_sclerosis GAP_HIGH 0.1427 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) midazolam narcolepsy GAP_HIGH 0.1427 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in narcolepsy cell model. Expected: similar to nitrazepam (Jaccard=0.38) drostanolone ankylosing_spondylitis GAP_HIGH 0.1427 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in ankylosing_spondylitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) aspartame skin_cancer GAP_HIGH 0.1427 0.2857142857142857 alvimopan High-priority: Binding assay aspartame→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.29) phenmetrazine ovarian_cancer GAP_HIGH 0.1427 0.2857142857142857 methylphenidate High-priority: Binding assay phenmetrazine→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) thalidomide glaucoma GAP_HIGH 0.1427 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) gliclazide pancreatitis GAP_HIGH 0.1427 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) l-methionine creutzfeldt-jakob_disease GAP_HIGH 0.1427 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-histidine (Jaccard=0.24) methyclothiazide crohns_disease GAP_HIGH 0.1427 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in crohns_disease cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine gout GAP_HIGH 0.1427 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in gout cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine primary_biliary_cirrhosis GAP_HIGH 0.1427 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine thymus_cancer GAP_HIGH 0.1427 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in thymus_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) metolazone systemic_lupus_erythematosus GAP_HIGH 0.1427 0.2 clodronate High-priority: Binding assay metolazone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine lung_cancer GAP_HIGH 0.1427 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in lung_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine rectum_cancer GAP_HIGH 0.1427 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) halazepam membranous_glomerulonephritis GAP_HIGH 0.1427 0.18181818181818182 chlorthalidone High-priority: Binding assay halazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.18) tioguanine germ_cell_cancer GAP_HIGH 0.1427 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in germ_cell_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) losartan salivary_gland_cancer GAP_HIGH 0.1427 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in salivary_gland_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine vascular_cancer GAP_HIGH 0.1427 0.16666666666666666 clotrimazole High-priority: Binding assay nilvadipine→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) methocarbamol gilles_de_la_tourette_syndrome GAP_HIGH 0.1427 0.15384615384615385 remifentanil High-priority: Binding assay methocarbamol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.15) nicardipine salivary_gland_cancer GAP_HIGH 0.1427 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) estropipate azoospermia GAP_LOW 0.1427 0.14285714285714285 dienestrol Low-priority: Computational docking estropipate vs azoospermia targets. Cross-check estropipate pharmacophore against azoospermia pathway. tolazamide larynx_cancer GAP_LOW 0.1427 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs larynx_cancer targets. Cross-check tolazamide pharmacophore against larynx_cancer pathway. l-carnitine hepatitis_b GAP_LOW 0.1427 0.13333333333333333 tenofovir Low-priority: Computational docking l-carnitine vs hepatitis_b targets. Cross-check l-carnitine pharmacophore against hepatitis_b pathway. benazepril alopecia_areata GAP_LOW 0.1427 0.1111111111111111 dexamethasone Low-priority: Computational docking benazepril vs alopecia_areata targets. Cross-check benazepril pharmacophore against alopecia_areata pathway. glimepiride chronic_kidney_failure GAP_LOW 0.1427 0.1 indapamide Low-priority: Computational docking glimepiride vs chronic_kidney_failure targets. Cross-check glimepiride pharmacophore against chronic_kidney_failure pathway. latanoprost dilated_cardiomyopathy GAP_LOW 0.1427 0.1 milrinone Low-priority: Computational docking latanoprost vs dilated_cardiomyopathy targets. Cross-check latanoprost pharmacophore against dilated_cardiomyopathy pathway. pentobarbital esophageal_cancer GAP_LOW 0.1427 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs esophageal_cancer targets. Cross-check pentobarbital pharmacophore against esophageal_cancer pathway. dronedarone ankylosing_spondylitis GAP_LOW 0.1427 0.08695652173913043 fentanyl Low-priority: Computational docking dronedarone vs ankylosing_spondylitis targets. Cross-check dronedarone pharmacophore against ankylosing_spondylitis pathway. amobarbital nephrolithiasis GAP_LOW 0.1427 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs nephrolithiasis targets. Cross-check amobarbital pharmacophore against nephrolithiasis pathway. alpha-linolenic_acid ovarian_cancer GAP_LOW 0.1427 0.06666666666666667 bromodiphenhydramine Low-priority: Computational docking alpha-linolenic_acid vs ovarian_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against ovarian_cancer pathway. carprofen alcohol_dependence GAP_LOW 0.1427 0.05555555555555555 levorphanol Low-priority: Computational docking carprofen vs alcohol_dependence targets. Cross-check carprofen pharmacophore against alcohol_dependence pathway. methacholine lymphatic_system_cancer GAP_LOW 0.1427 0.05 riboflavin Low-priority: Computational docking methacholine vs lymphatic_system_cancer targets. Cross-check methacholine pharmacophore against lymphatic_system_cancer pathway. carboprost_tromethamine gestational_diabetes GAP_LOW 0.1427 0.037037037037037035 bezafibrate Low-priority: Computational docking carboprost_tromethamine vs gestational_diabetes targets. Cross-check carboprost_tromethamine pharmacophore against gestational_diabetes pathway. sorafenib liver_cancer GAP_HIGH 0.1426 0.42105263157894735 pazopanib High-priority: Binding assay sorafenib→?; validate in liver_cancer cell model. Expected: similar to pazopanib (Jaccard=0.42) ethotoin ulcerative_colitis GAP_HIGH 0.1426 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.30) ziprasidone metabolic_syndrome_x GAP_HIGH 0.1426 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.30) ziprasidone skin_cancer GAP_HIGH 0.1426 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.30) aspartame osteoarthritis GAP_HIGH 0.1426 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in osteoarthritis cell model. Expected: similar to desipramine (Jaccard=0.29) isocarboxazid pancreatitis GAP_HIGH 0.1426 0.2727272727272727 phenylpropanolamine High-priority: Binding assay isocarboxazid→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) thalidomide esophageal_cancer GAP_HIGH 0.1426 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) dopamine conduct_disorder GAP_HIGH 0.1426 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine panic_disorder GAP_HIGH 0.1426 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine schizophrenia GAP_HIGH 0.1426 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.25) pemetrexed atopic_dermatitis GAP_HIGH 0.1426 0.25 sirolimus High-priority: Binding assay pemetrexed→?; validate in atopic_dermatitis cell model. Expected: similar to sirolimus (Jaccard=0.25) pemetrexed conduct_disorder GAP_HIGH 0.1426 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.25) nisoldipine ocular_cancer GAP_HIGH 0.1426 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) tolazoline malaria GAP_HIGH 0.1426 0.2 tranylcypromine High-priority: Binding assay tolazoline→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.20) amlodipine penile_cancer GAP_HIGH 0.1426 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in penile_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) estropipate pancreatitis GAP_HIGH 0.1426 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in pancreatitis cell model. Expected: similar to raloxifene (Jaccard=0.17) nimodipine membranous_glomerulonephritis GAP_HIGH 0.1426 0.16666666666666666 metolazone High-priority: Binding assay nimodipine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to metolazone (Jaccard=0.17) l-arginine type_1_diabetes_mellitus GAP_HIGH 0.1426 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.15) nilvadipine pharynx_cancer GAP_HIGH 0.1426 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) spirapril atopic_dermatitis GAP_LOW 0.1426 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs atopic_dermatitis targets. Cross-check spirapril pharmacophore against atopic_dermatitis pathway. irbesartan coronary_artery_disease GAP_LOW 0.1426 0.125 naloxone Low-priority: Computational docking irbesartan vs coronary_artery_disease targets. Cross-check irbesartan pharmacophore against coronary_artery_disease pathway. nelarabine larynx_cancer GAP_LOW 0.1426 0.125 methotrexate Low-priority: Computational docking nelarabine vs larynx_cancer targets. Cross-check nelarabine pharmacophore against larynx_cancer pathway. dinoprost_tromethamine creutzfeldt-jakob_disease GAP_LOW 0.1426 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs creutzfeldt-jakob_disease targets. Cross-check dinoprost_tromethamine pharmacophore against creutzfeldt-jakob_disease pathway. quazepam sarcoma GAP_LOW 0.1426 0.1111111111111111 phenytoin Low-priority: Computational docking quazepam vs sarcoma targets. Cross-check quazepam pharmacophore against sarcoma pathway. riboflavin penile_cancer GAP_LOW 0.1426 0.1 epirubicin Low-priority: Computational docking riboflavin vs penile_cancer targets. Cross-check riboflavin pharmacophore against penile_cancer pathway. dihomo-gamma-linolenic_acid head_and_neck_cancer GAP_LOW 0.1426 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs head_and_neck_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against head_and_neck_cancer pathway. l-arginine alcohol_dependence GAP_LOW 0.1426 0.08333333333333333 naloxone Low-priority: Computational docking l-arginine vs alcohol_dependence targets. Cross-check l-arginine pharmacophore against alcohol_dependence pathway. doxycycline focal_segmental_glomerulosclerosis GAP_LOW 0.1426 0.05 propranolol Low-priority: Computational docking doxycycline vs focal_segmental_glomerulosclerosis targets. Cross-check doxycycline pharmacophore against focal_segmental_glomerulosclerosis pathway. desmopressin pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking desmopressin vs pagets_disease_of_bone targets. Cross-check desmopressin pharmacophore against pagets_disease_of_bone pathway. felypressin pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking felypressin vs pagets_disease_of_bone targets. Cross-check felypressin pharmacophore against pagets_disease_of_bone pathway. halazepam pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking halazepam vs pagets_disease_of_bone targets. Cross-check halazepam pharmacophore against pagets_disease_of_bone pathway. indomethacin pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking indomethacin vs pagets_disease_of_bone targets. Cross-check indomethacin pharmacophore against pagets_disease_of_bone pathway. oxyphenonium pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking oxyphenonium vs pagets_disease_of_bone targets. Cross-check oxyphenonium pharmacophore against pagets_disease_of_bone pathway. pasireotide pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking pasireotide vs pagets_disease_of_bone targets. Cross-check pasireotide pharmacophore against pagets_disease_of_bone pathway. terlipressin pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking terlipressin vs pagets_disease_of_bone targets. Cross-check terlipressin pharmacophore against pagets_disease_of_bone pathway. treprostinil pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking treprostinil vs pagets_disease_of_bone targets. Cross-check treprostinil pharmacophore against pagets_disease_of_bone pathway. trifluridine pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking trifluridine vs pagets_disease_of_bone targets. Cross-check trifluridine pharmacophore against pagets_disease_of_bone pathway. vapreotide pagets_disease_of_bone GAP_LOW 0.1426 0.0 ibandronate Low-priority: Computational docking vapreotide vs pagets_disease_of_bone targets. Cross-check vapreotide pharmacophore against pagets_disease_of_bone pathway. clofedanol celiac_disease GAP_HIGH 0.1425 0.5294117647058824 diphenhydramine High-priority: Binding assay clofedanol→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.53) chlorpromazine gout GAP_HIGH 0.1425 0.52 methdilazine High-priority: Binding assay chlorpromazine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.52) flurbiprofen kidney_cancer GAP_HIGH 0.1425 0.45161290322580644 quinacrine High-priority: Binding assay flurbiprofen→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.45) methotrexate rheumatoid_arthritis GAP_HIGH 0.1425 0.42857142857142855 trifluridine High-priority: Binding assay methotrexate→?; validate in rheumatoid_arthritis cell model. Expected: similar to trifluridine (Jaccard=0.43) moricizine thyroid_cancer GAP_HIGH 0.1425 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) drostanolone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1425 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) phenindamine urinary_bladder_cancer GAP_HIGH 0.1425 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) topotecan restless_legs_syndrome GAP_HIGH 0.1425 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in restless_legs_syndrome cell model. Expected: similar to cyclandelate (Jaccard=0.33) cinolazepam duodenum_cancer GAP_HIGH 0.1425 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) cinolazepam gallbladder_cancer GAP_HIGH 0.1425 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) ethotoin uterine_cancer GAP_HIGH 0.1425 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) dobutamine duodenum_cancer GAP_HIGH 0.1425 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dobutamine gallbladder_cancer GAP_HIGH 0.1425 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) agomelatine polycystic_ovary_syndrome GAP_HIGH 0.1425 0.2608695652173913 bezafibrate High-priority: Binding assay agomelatine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.26) dopamine colon_cancer GAP_HIGH 0.1425 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.25) dopamine stomach_cancer GAP_HIGH 0.1425 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pemetrexed bipolar_disorder GAP_HIGH 0.1425 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.25) epinephrine germ_cell_cancer GAP_HIGH 0.1425 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) amlodipine vitiligo GAP_HIGH 0.1425 0.2 pimozide High-priority: Binding assay amlodipine→?; validate in vitiligo cell model. Expected: similar to pimozide (Jaccard=0.20) metolazone skin_cancer GAP_HIGH 0.1425 0.2 clodronate High-priority: Binding assay metolazone→?; validate in skin_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine alzheimers_disease GAP_HIGH 0.1425 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in alzheimers_disease cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine parkinsons_disease GAP_HIGH 0.1425 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in parkinsons_disease cell model. Expected: similar to ifenprodil (Jaccard=0.20) ibuprofen atopic_dermatitis GAP_HIGH 0.1425 0.18181818181818182 epinephrine High-priority: Binding assay ibuprofen→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.18) vapreotide systemic_lupus_erythematosus GAP_HIGH 0.1425 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan rectum_cancer GAP_HIGH 0.1425 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in rectum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) pentostatin head_and_neck_cancer GAP_HIGH 0.1425 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in head_and_neck_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) pentostatin malignant_glioma GAP_HIGH 0.1425 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in malignant_glioma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) dihomo-gamma-linolenic_acid systemic_scleroderma GAP_LOW 0.1425 0.14285714285714285 treprostinil Low-priority: Computational docking dihomo-gamma-linolenic_acid vs systemic_scleroderma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against systemic_scleroderma pathway. dinoprostone prostate_cancer GAP_LOW 0.1425 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs prostate_cancer targets. Cross-check dinoprostone pharmacophore against prostate_cancer pathway. benazepril refractive_error GAP_LOW 0.1425 0.125 epinephrine Low-priority: Computational docking benazepril vs refractive_error targets. Cross-check benazepril pharmacophore against refractive_error pathway. aminoglutethimide brain_cancer GAP_LOW 0.1425 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs brain_cancer targets. Cross-check aminoglutethimide pharmacophore against brain_cancer pathway. aminoglutethimide intracranial_aneurysm GAP_LOW 0.1425 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs intracranial_aneurysm targets. Cross-check aminoglutethimide pharmacophore against intracranial_aneurysm pathway. clotiazepam leprosy GAP_LOW 0.1425 0.09523809523809523 phensuximide Low-priority: Computational docking clotiazepam vs leprosy targets. Cross-check clotiazepam pharmacophore against leprosy pathway. doxycycline systemic_lupus_erythematosus GAP_LOW 0.1425 0.09090909090909091 irinotecan Low-priority: Computational docking doxycycline vs systemic_lupus_erythematosus targets. Cross-check doxycycline pharmacophore against systemic_lupus_erythematosus pathway. nelarabine bone_cancer GAP_LOW 0.1425 0.08333333333333333 tetrahydrofolic_acid Low-priority: Computational docking nelarabine vs bone_cancer targets. Cross-check nelarabine pharmacophore against bone_cancer pathway. cyclopentolate barretts_esophagus GAP_LOW 0.1425 0.0 pantoprazole Low-priority: Computational docking cyclopentolate vs barretts_esophagus targets. Cross-check cyclopentolate pharmacophore against barretts_esophagus pathway. isopropamide barretts_esophagus GAP_LOW 0.1425 0.0 pantoprazole Low-priority: Computational docking isopropamide vs barretts_esophagus targets. Cross-check isopropamide pharmacophore against barretts_esophagus pathway. reboxetine barretts_esophagus GAP_LOW 0.1425 0.0 pantoprazole Low-priority: Computational docking reboxetine vs barretts_esophagus targets. Cross-check reboxetine pharmacophore against barretts_esophagus pathway. spironolactone barretts_esophagus GAP_LOW 0.1425 0.0 pantoprazole Low-priority: Computational docking spironolactone vs barretts_esophagus targets. Cross-check spironolactone pharmacophore against barretts_esophagus pathway. naproxen testicular_cancer GAP_HIGH 0.1424 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in testicular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naproxen vaginal_cancer GAP_HIGH 0.1424 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naproxen vulva_cancer GAP_HIGH 0.1424 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in vulva_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) naftifine gilles_de_la_tourette_syndrome GAP_HIGH 0.1424 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to toremifene (Jaccard=0.43) masoprocol rheumatoid_arthritis GAP_HIGH 0.1424 0.42857142857142855 carbidopa High-priority: Binding assay masoprocol→?; validate in rheumatoid_arthritis cell model. Expected: similar to carbidopa (Jaccard=0.43) oxcarbazepine bipolar_disorder GAP_HIGH 0.1424 0.4166666666666667 phenindione High-priority: Binding assay oxcarbazepine→?; validate in bipolar_disorder cell model. Expected: similar to phenindione (Jaccard=0.42) propiomazine crohns_disease GAP_HIGH 0.1424 0.4 mepenzolate High-priority: Binding assay propiomazine→?; validate in crohns_disease cell model. Expected: similar to mepenzolate (Jaccard=0.40) cinolazepam pancreatitis GAP_HIGH 0.1424 0.3125 fludiazepam High-priority: Binding assay cinolazepam→?; validate in pancreatitis cell model. Expected: similar to fludiazepam (Jaccard=0.31) sulfaphenazole alzheimers_disease GAP_HIGH 0.1424 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in alzheimers_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) gliclazide lung_cancer GAP_HIGH 0.1424 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide rectum_cancer GAP_HIGH 0.1424 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) chlorpropamide ankylosing_spondylitis GAP_HIGH 0.1424 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) dopamine bipolar_disorder GAP_HIGH 0.1424 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine pancreatic_cancer GAP_HIGH 0.1424 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pemetrexed endogenous_depression GAP_HIGH 0.1424 0.25 l-arginine High-priority: Binding assay pemetrexed→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.25) pemetrexed psoriasis GAP_HIGH 0.1424 0.25 sirolimus High-priority: Binding assay pemetrexed→?; validate in psoriasis cell model. Expected: similar to sirolimus (Jaccard=0.25) pirbuterol narcolepsy GAP_HIGH 0.1424 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in narcolepsy cell model. Expected: similar to levonordefrin (Jaccard=0.25) phenformin acquired_immunodeficiency_syndrome GAP_HIGH 0.1424 0.2222222222222222 mitiglinide High-priority: Binding assay phenformin→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.22) anisindione colon_cancer GAP_HIGH 0.1424 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in colon_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.20) anisindione stomach_cancer GAP_HIGH 0.1424 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in stomach_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) dipivefrin atherosclerosis GAP_HIGH 0.1424 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.20) dipivefrin lymphatic_system_cancer GAP_HIGH 0.1424 0.2 streptozocin High-priority: Binding assay dipivefrin→?; validate in lymphatic_system_cancer cell model. Expected: similar to streptozocin (Jaccard=0.20) metolazone testicular_cancer GAP_HIGH 0.1424 0.2 clodronate High-priority: Binding assay metolazone→?; validate in testicular_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone vaginal_cancer GAP_HIGH 0.1424 0.2 clodronate High-priority: Binding assay metolazone→?; validate in vaginal_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) metolazone vulva_cancer GAP_HIGH 0.1424 0.2 clodronate High-priority: Binding assay metolazone→?; validate in vulva_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine amyotrophic_lateral_sclerosis GAP_HIGH 0.1424 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine autistic_disorder GAP_HIGH 0.1424 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in autistic_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine nicotine_dependence GAP_HIGH 0.1424 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in nicotine_dependence cell model. Expected: similar to ifenprodil (Jaccard=0.20) tropicamide melanoma GAP_HIGH 0.1424 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.18) vapreotide metabolic_syndrome_x GAP_HIGH 0.1424 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in metabolic_syndrome_x cell model. Expected: similar to deferasirox (Jaccard=0.18) clotiazepam malaria GAP_HIGH 0.1424 0.17647058823529413 butabarbital High-priority: Binding assay clotiazepam→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.18) amlodipine malignant_mesothelioma GAP_HIGH 0.1424 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.17) emtricitabine psoriatic_arthritis GAP_HIGH 0.1424 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay emtricitabine→?; validate in psoriatic_arthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) losartan ocular_cancer GAP_HIGH 0.1424 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in ocular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine uterine_fibroid GAP_HIGH 0.1424 0.16666666666666666 proparacaine High-priority: Binding assay nilvadipine→?; validate in uterine_fibroid cell model. Expected: similar to proparacaine (Jaccard=0.17) vorinostat azoospermia GAP_HIGH 0.1424 0.16666666666666666 phenoxybenzamine High-priority: Binding assay vorinostat→?; validate in azoospermia cell model. Expected: similar to phenoxybenzamine (Jaccard=0.17) nicardipine ocular_cancer GAP_HIGH 0.1424 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nicardipine rectum_cancer GAP_HIGH 0.1424 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) carprofen kidney_cancer GAP_LOW 0.1424 0.14285714285714285 tolazamide Low-priority: Computational docking carprofen vs kidney_cancer targets. Cross-check carprofen pharmacophore against kidney_cancer pathway. l-arginine atherosclerosis GAP_LOW 0.1424 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs atherosclerosis targets. Cross-check l-arginine pharmacophore against atherosclerosis pathway. amiloride azoospermia GAP_LOW 0.1424 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking amiloride vs azoospermia targets. Cross-check amiloride pharmacophore against azoospermia pathway. calcium_acetate migraine GAP_LOW 0.1424 0.1111111111111111 pregabalin Low-priority: Computational docking calcium_acetate vs migraine targets. Cross-check calcium_acetate pharmacophore against migraine pathway. cilazapril alopecia_areata GAP_LOW 0.1424 0.1111111111111111 dexamethasone Low-priority: Computational docking cilazapril vs alopecia_areata targets. Cross-check cilazapril pharmacophore against alopecia_areata pathway. riboflavin malignant_mesothelioma GAP_LOW 0.1424 0.1 epirubicin Low-priority: Computational docking riboflavin vs malignant_mesothelioma targets. Cross-check riboflavin pharmacophore against malignant_mesothelioma pathway. felypressin leprosy GAP_LOW 0.1424 0.058823529411764705 sulfamethizole Low-priority: Computational docking felypressin vs leprosy targets. Cross-check felypressin pharmacophore against leprosy pathway. papaverine gestational_diabetes GAP_LOW 0.1424 0.058823529411764705 sulpiride Low-priority: Computational docking papaverine vs gestational_diabetes targets. Cross-check papaverine pharmacophore against gestational_diabetes pathway. terlipressin leprosy GAP_LOW 0.1424 0.058823529411764705 sulfamethizole Low-priority: Computational docking terlipressin vs leprosy targets. Cross-check terlipressin pharmacophore against leprosy pathway. glutethimide gestational_diabetes GAP_LOW 0.1424 0.025 bezafibrate Low-priority: Computational docking glutethimide vs gestational_diabetes targets. Cross-check glutethimide pharmacophore against gestational_diabetes pathway. oxaprozin uterine_fibroid GAP_HIGH 0.1423 0.5 clozapine High-priority: Binding assay oxaprozin→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.50) temazepam testicular_cancer GAP_HIGH 0.1423 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in testicular_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) temazepam vaginal_cancer GAP_HIGH 0.1423 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in vaginal_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) temazepam vulva_cancer GAP_HIGH 0.1423 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in vulva_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.47) chlordiazepoxide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1423 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loxapine (Jaccard=0.46) cyclizine type_2_diabetes_mellitus GAP_HIGH 0.1423 0.4166666666666667 benzatropine High-priority: Binding assay cyclizine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.42) sulfaphenazole autistic_disorder GAP_HIGH 0.1423 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) sulfaphenazole nicotine_dependence GAP_HIGH 0.1423 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) ziprasidone obesity GAP_HIGH 0.1423 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in obesity cell model. Expected: similar to azatadine (Jaccard=0.30) adinazolam type_2_diabetes_mellitus GAP_HIGH 0.1423 0.2631578947368421 chlordiazepoxide High-priority: Binding assay adinazolam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.26) dopamine endogenous_depression GAP_HIGH 0.1423 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.25) dopamine osteoporosis GAP_HIGH 0.1423 0.25 metipranolol High-priority: Binding assay dopamine→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.25) dopamine ulcerative_colitis GAP_HIGH 0.1423 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.25) selegiline malaria GAP_HIGH 0.1423 0.25 tranylcypromine High-priority: Binding assay selegiline→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.25) ziprasidone focal_segmental_glomerulosclerosis GAP_HIGH 0.1423 0.25 cholecalciferol High-priority: Binding assay ziprasidone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) methyclothiazide prostate_cancer GAP_HIGH 0.1423 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) anisindione pancreatic_cancer GAP_HIGH 0.1423 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in pancreatic_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) etidronic_acid epilepsy_syndrome GAP_HIGH 0.1423 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in epilepsy_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) nisoldipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1423 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine urinary_bladder_cancer GAP_HIGH 0.1423 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) vapreotide osteoarthritis GAP_HIGH 0.1423 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in osteoarthritis cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide skin_cancer GAP_HIGH 0.1423 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in skin_cancer cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan liver_cancer GAP_HIGH 0.1423 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in liver_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1423 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.15) dapsone bone_cancer GAP_LOW 0.1423 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs bone_cancer targets. Cross-check dapsone pharmacophore against bone_cancer pathway. dinoprostone mediastinal_cancer GAP_LOW 0.1423 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs mediastinal_cancer targets. Cross-check dinoprostone pharmacophore against mediastinal_cancer pathway. eprosartan pharynx_cancer GAP_LOW 0.1423 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs pharynx_cancer targets. Cross-check eprosartan pharmacophore against pharynx_cancer pathway. spirapril osteoporosis GAP_LOW 0.1423 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs osteoporosis targets. Cross-check spirapril pharmacophore against osteoporosis pathway. spirapril psoriasis GAP_LOW 0.1423 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs psoriasis targets. Cross-check spirapril pharmacophore against psoriasis pathway. irbesartan azoospermia GAP_LOW 0.1423 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs azoospermia targets. Cross-check irbesartan pharmacophore against azoospermia pathway. l-carnitine dilated_cardiomyopathy GAP_LOW 0.1423 0.08333333333333333 milrinone Low-priority: Computational docking l-carnitine vs dilated_cardiomyopathy targets. Cross-check l-carnitine pharmacophore against dilated_cardiomyopathy pathway. methacholine refractive_error GAP_LOW 0.1423 0.07142857142857142 propranolol Low-priority: Computational docking methacholine vs refractive_error targets. Cross-check methacholine pharmacophore against refractive_error pathway. sodium_tetradecyl_sulfate epilepsy_syndrome GAP_LOW 0.1423 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs epilepsy_syndrome targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against epilepsy_syndrome pathway. acetylcysteine atherosclerosis GAP_LOW 0.1423 0.04 floctafenine Low-priority: Computational docking acetylcysteine vs atherosclerosis targets. Cross-check acetylcysteine pharmacophore against atherosclerosis pathway. acepromazine gout GAP_HIGH 0.1422 0.5 nortriptyline High-priority: Binding assay acepromazine→?; validate in gout cell model. Expected: similar to nortriptyline (Jaccard=0.50) alimemazine sclerosing_cholangitis GAP_HIGH 0.1422 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to dimetacrine (Jaccard=0.47) naproxen vascular_cancer GAP_HIGH 0.1422 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in vascular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.44) medrysone pancreatitis GAP_HIGH 0.1422 0.42857142857142855 hydrocortisone High-priority: Binding assay medrysone→?; validate in pancreatitis cell model. Expected: similar to hydrocortisone (Jaccard=0.43) oxcarbazepine multiple_sclerosis GAP_HIGH 0.1422 0.4166666666666667 phenindione High-priority: Binding assay oxcarbazepine→?; validate in multiple_sclerosis cell model. Expected: similar to phenindione (Jaccard=0.42) glucosamine osteoarthritis GAP_HIGH 0.1422 0.39285714285714285 ribavirin High-priority: Binding assay glucosamine→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.39) propafenone membranous_glomerulonephritis GAP_HIGH 0.1422 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propranolol (Jaccard=0.39) topotecan rheumatoid_arthritis GAP_HIGH 0.1422 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) l-histidine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1422 0.3225806451612903 acetylcysteine High-priority: Binding assay l-histidine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to acetylcysteine (Jaccard=0.32) aspartame systemic_scleroderma GAP_HIGH 0.1422 0.2857142857142857 desipramine High-priority: Binding assay aspartame→?; validate in systemic_scleroderma cell model. Expected: similar to desipramine (Jaccard=0.29) gliclazide liver_cancer GAP_HIGH 0.1422 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) flurazepam kidney_cancer GAP_HIGH 0.1422 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in kidney_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) dopamine migraine GAP_HIGH 0.1422 0.25 l-dopa High-priority: Binding assay dopamine→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.25) dopamine multiple_sclerosis GAP_HIGH 0.1422 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.25) melatonin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1422 0.25 montelukast High-priority: Binding assay melatonin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to montelukast (Jaccard=0.25) tolazoline pharynx_cancer GAP_HIGH 0.1422 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) ziprasidone gilles_de_la_tourette_syndrome GAP_HIGH 0.1422 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to temazepam (Jaccard=0.25) tolazoline celiac_disease GAP_HIGH 0.1422 0.22727272727272727 phenacemide High-priority: Binding assay tolazoline→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.23) anisindione psoriasis GAP_HIGH 0.1422 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in psoriasis cell model. Expected: similar to carbamazepine (Jaccard=0.20) anisindione ulcerative_colitis GAP_HIGH 0.1422 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in ulcerative_colitis cell model. Expected: similar to carbamazepine (Jaccard=0.20) metolazone vascular_cancer GAP_HIGH 0.1422 0.2 clodronate High-priority: Binding assay metolazone→?; validate in vascular_cancer cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1422 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.20) vapreotide vulva_cancer GAP_HIGH 0.1422 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in vulva_cancer cell model. Expected: similar to deferasirox (Jaccard=0.18) lercanidipine melanoma GAP_HIGH 0.1422 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in melanoma cell model. Expected: similar to proparacaine (Jaccard=0.17) benazepril gout GAP_LOW 0.1422 0.14285714285714285 methotrexate Low-priority: Computational docking benazepril vs gout targets. Cross-check benazepril pharmacophore against gout pathway. dinoprostone thymus_cancer GAP_LOW 0.1422 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs thymus_cancer targets. Cross-check dinoprostone pharmacophore against thymus_cancer pathway. cilazapril refractive_error GAP_LOW 0.1422 0.125 epinephrine Low-priority: Computational docking cilazapril vs refractive_error targets. Cross-check cilazapril pharmacophore against refractive_error pathway. labetalol kidney_cancer GAP_LOW 0.1422 0.1 voacamine Low-priority: Computational docking labetalol vs kidney_cancer targets. Cross-check labetalol pharmacophore against kidney_cancer pathway. aminolevulinic_acid malaria GAP_LOW 0.1422 0.046511627906976744 methylphenobarbital Low-priority: Computational docking aminolevulinic_acid vs malaria targets. Cross-check aminolevulinic_acid pharmacophore against malaria pathway. carbidopa barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking carbidopa vs barretts_esophagus targets. Cross-check carbidopa pharmacophore against barretts_esophagus pathway. dimetacrine barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking dimetacrine vs barretts_esophagus targets. Cross-check dimetacrine pharmacophore against barretts_esophagus pathway. fenoprofen barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking fenoprofen vs barretts_esophagus targets. Cross-check fenoprofen pharmacophore against barretts_esophagus pathway. l-tyrosine barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking l-tyrosine vs barretts_esophagus targets. Cross-check l-tyrosine pharmacophore against barretts_esophagus pathway. phenacemide barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking phenacemide vs barretts_esophagus targets. Cross-check phenacemide pharmacophore against barretts_esophagus pathway. salicylate-sodium barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking salicylate-sodium vs barretts_esophagus targets. Cross-check salicylate-sodium pharmacophore against barretts_esophagus pathway. tamoxifen barretts_esophagus GAP_LOW 0.1422 0.0 pantoprazole Low-priority: Computational docking tamoxifen vs barretts_esophagus targets. Cross-check tamoxifen pharmacophore against barretts_esophagus pathway. phensuximide focal_segmental_glomerulosclerosis GAP_HIGH 0.1421 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.39) diclofenac allergic_rhinitis GAP_HIGH 0.1421 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in allergic_rhinitis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) diclofenac breast_cancer GAP_HIGH 0.1421 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in breast_cancer cell model. Expected: similar to chlorthalidone (Jaccard=0.38) lisinopril hypertension GAP_HIGH 0.1421 0.375 cilazapril High-priority: Binding assay lisinopril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.38) loteprednol pancreatitis GAP_HIGH 0.1421 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in pancreatitis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) tripelennamine duodenum_cancer GAP_HIGH 0.1421 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in duodenum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) tripelennamine gallbladder_cancer GAP_HIGH 0.1421 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in gallbladder_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) methylprednisolone type_1_diabetes_mellitus GAP_HIGH 0.1421 0.3157894736842105 fludrocortisone High-priority: Binding assay methylprednisolone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.32) terbutaline stomach_cancer GAP_HIGH 0.1421 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in stomach_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) cinchocaine vitiligo GAP_HIGH 0.1421 0.3 phenmetrazine High-priority: Binding assay cinchocaine→?; validate in vitiligo cell model. Expected: similar to phenmetrazine (Jaccard=0.30) ziprasidone systemic_scleroderma GAP_HIGH 0.1421 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in systemic_scleroderma cell model. Expected: similar to azatadine (Jaccard=0.30) levonorgestrel head_and_neck_cancer GAP_HIGH 0.1421 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in head_and_neck_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) dobutamine creutzfeldt-jakob_disease GAP_HIGH 0.1421 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.27) flurazepam nephrolithiasis GAP_HIGH 0.1421 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in nephrolithiasis cell model. Expected: similar to cinchocaine (Jaccard=0.26) atenolol focal_segmental_glomerulosclerosis GAP_HIGH 0.1421 0.24242424242424243 fenoprofen High-priority: Binding assay atenolol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.24) l-methionine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1421 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to l-histidine (Jaccard=0.24) methyclothiazide mediastinal_cancer GAP_HIGH 0.1421 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) chlorthalidone malaria GAP_HIGH 0.1421 0.20833333333333334 ethotoin High-priority: Binding assay chlorthalidone→?; validate in malaria cell model. Expected: similar to ethotoin (Jaccard=0.21) anisindione ovarian_cancer GAP_HIGH 0.1421 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in ovarian_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.20) anisindione uterine_cancer GAP_HIGH 0.1421 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in uterine_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) tioguanine penile_cancer GAP_HIGH 0.1421 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in penile_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) estropipate parkinsons_disease GAP_HIGH 0.1421 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in parkinsons_disease cell model. Expected: similar to raloxifene (Jaccard=0.17) losartan peripheral_nervous_system_neoplasm GAP_HIGH 0.1421 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan urinary_bladder_cancer GAP_HIGH 0.1421 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in urinary_bladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) dienestrol dilated_cardiomyopathy GAP_HIGH 0.1421 0.15789473684210525 progesterone High-priority: Binding assay dienestrol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.16) streptozocin membranous_glomerulonephritis GAP_HIGH 0.1421 0.15789473684210525 vidarabine High-priority: Binding assay streptozocin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to vidarabine (Jaccard=0.16) nicardipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1421 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.15) telbivudine head_and_neck_cancer GAP_LOW 0.1421 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs head_and_neck_cancer targets. Cross-check telbivudine pharmacophore against head_and_neck_cancer pathway. telbivudine malignant_glioma GAP_LOW 0.1421 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs malignant_glioma targets. Cross-check telbivudine pharmacophore against malignant_glioma pathway. eprosartan membranous_glomerulonephritis GAP_LOW 0.1421 0.125 alvimopan Low-priority: Computational docking eprosartan vs membranous_glomerulonephritis targets. Cross-check eprosartan pharmacophore against membranous_glomerulonephritis pathway. dihomo-gamma-linolenic_acid meningioma GAP_LOW 0.1421 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs meningioma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against meningioma pathway. labetalol nephrolithiasis GAP_LOW 0.1421 0.1 voacamine Low-priority: Computational docking labetalol vs nephrolithiasis targets. Cross-check labetalol pharmacophore against nephrolithiasis pathway. baclofen gilles_de_la_tourette_syndrome GAP_LOW 0.1421 0.09090909090909091 alvimopan Low-priority: Computational docking baclofen vs gilles_de_la_tourette_syndrome targets. Cross-check baclofen pharmacophore against gilles_de_la_tourette_syndrome pathway. glimepiride gilles_de_la_tourette_syndrome GAP_LOW 0.1421 0.09090909090909091 alvimopan Low-priority: Computational docking glimepiride vs gilles_de_la_tourette_syndrome targets. Cross-check glimepiride pharmacophore against gilles_de_la_tourette_syndrome pathway. primidone malignant_glioma GAP_LOW 0.1421 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs malignant_glioma targets. Cross-check primidone pharmacophore against malignant_glioma pathway. aprobarbital esophageal_cancer GAP_LOW 0.1421 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs esophageal_cancer targets. Cross-check aprobarbital pharmacophore against esophageal_cancer pathway. butethal esophageal_cancer GAP_LOW 0.1421 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs esophageal_cancer targets. Cross-check butethal pharmacophore against esophageal_cancer pathway. dextropropoxyphene malaria GAP_LOW 0.1421 0.07407407407407407 modafinil Low-priority: Computational docking dextropropoxyphene vs malaria targets. Cross-check dextropropoxyphene pharmacophore against malaria pathway. doxycycline refractive_error GAP_LOW 0.1421 0.05555555555555555 clonidine Low-priority: Computational docking doxycycline vs refractive_error targets. Cross-check doxycycline pharmacophore against refractive_error pathway. l-citrulline leprosy GAP_LOW 0.1421 0.05084745762711865 pomalidomide Low-priority: Computational docking l-citrulline vs leprosy targets. Cross-check l-citrulline pharmacophore against leprosy pathway. succinic_acid penile_cancer GAP_LOW 0.1421 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs penile_cancer targets. Cross-check succinic_acid pharmacophore against penile_cancer pathway. tamoxifen membranous_glomerulonephritis GAP_HIGH 0.142 0.5 promethazine High-priority: Binding assay tamoxifen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.50) reboxetine idiopathic_pulmonary_fibrosis GAP_HIGH 0.142 0.4444444444444444 atomoxetine High-priority: Binding assay reboxetine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.44) moricizine muscle_cancer GAP_HIGH 0.142 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) naproxen primary_biliary_cirrhosis GAP_HIGH 0.142 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.41) phenindamine stomach_cancer GAP_HIGH 0.142 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in stomach_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) terbutaline pancreatic_cancer GAP_HIGH 0.142 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in pancreatic_cancer cell model. Expected: similar to methyldopa (Jaccard=0.31) terbutaline ulcerative_colitis GAP_HIGH 0.142 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in ulcerative_colitis cell model. Expected: similar to methyldopa (Jaccard=0.31) gliclazide peripheral_nervous_system_neoplasm GAP_HIGH 0.142 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.27) chlorpropamide pancreatitis GAP_HIGH 0.142 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in pancreatitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) epinephrine penile_cancer GAP_HIGH 0.142 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) methyclothiazide gout GAP_HIGH 0.142 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide primary_biliary_cirrhosis GAP_HIGH 0.142 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide thymus_cancer GAP_HIGH 0.142 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) vapreotide obesity GAP_HIGH 0.142 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in obesity cell model. Expected: similar to deferasirox (Jaccard=0.18) estropipate amyotrophic_lateral_sclerosis GAP_HIGH 0.142 0.16666666666666666 raloxifene High-priority: Binding assay estropipate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to raloxifene (Jaccard=0.17) trifluridine ankylosing_spondylitis GAP_HIGH 0.142 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay trifluridine→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) nilvadipine salivary_gland_cancer GAP_HIGH 0.142 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) methylphenobarbital meningioma GAP_LOW 0.142 0.13333333333333333 diphenylpyraline Low-priority: Computational docking methylphenobarbital vs meningioma targets. Cross-check methylphenobarbital pharmacophore against meningioma pathway. phenobarbital sclerosing_cholangitis GAP_LOW 0.142 0.13333333333333333 chlorcyclizine Low-priority: Computational docking phenobarbital vs sclerosing_cholangitis targets. Cross-check phenobarbital pharmacophore against sclerosing_cholangitis pathway. sodium_tetradecyl_sulfate crohns_disease GAP_LOW 0.142 0.0625 clocortolone Low-priority: Computational docking sodium_tetradecyl_sulfate vs crohns_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against crohns_disease pathway. epoprostenol gestational_diabetes GAP_LOW 0.142 0.037037037037037035 bezafibrate Low-priority: Computational docking epoprostenol vs gestational_diabetes targets. Cross-check epoprostenol pharmacophore against gestational_diabetes pathway. temazepam uterine_fibroid GAP_HIGH 0.1419 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in uterine_fibroid cell model. Expected: similar to pirenzepine (Jaccard=0.47) naproxen uterine_fibroid GAP_HIGH 0.1419 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in uterine_fibroid cell model. Expected: similar to procarbazine (Jaccard=0.44) acetophenazine pancreatitis GAP_HIGH 0.1419 0.4 mequitazine High-priority: Binding assay acetophenazine→?; validate in pancreatitis cell model. Expected: similar to mequitazine (Jaccard=0.40) topotecan psoriatic_arthritis GAP_HIGH 0.1419 0.3333333333333333 cyclandelate High-priority: Binding assay topotecan→?; validate in psoriatic_arthritis cell model. Expected: similar to cyclandelate (Jaccard=0.33) terbutaline osteoporosis GAP_HIGH 0.1419 0.3125 methyldopa High-priority: Binding assay terbutaline→?; validate in osteoporosis cell model. Expected: similar to methyldopa (Jaccard=0.31) ethotoin vaginal_cancer GAP_HIGH 0.1419 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) ethotoin vulva_cancer GAP_HIGH 0.1419 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.30) methotrexate bone_cancer GAP_HIGH 0.1419 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in bone_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) fenbufen urinary_bladder_cancer GAP_HIGH 0.1419 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.27) anisindione systemic_lupus_erythematosus GAP_HIGH 0.1419 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to carbamazepine (Jaccard=0.20) metolazone uterine_fibroid GAP_HIGH 0.1419 0.2 clodronate High-priority: Binding assay metolazone→?; validate in uterine_fibroid cell model. Expected: similar to clodronate (Jaccard=0.20) nisoldipine asthma GAP_HIGH 0.1419 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in asthma cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine breast_cancer GAP_HIGH 0.1419 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in breast_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine conduct_disorder GAP_HIGH 0.1419 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in conduct_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine panic_disorder GAP_HIGH 0.1419 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in panic_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine schizophrenia GAP_HIGH 0.1419 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in schizophrenia cell model. Expected: similar to ifenprodil (Jaccard=0.20) tioguanine malignant_mesothelioma GAP_HIGH 0.1419 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in malignant_mesothelioma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) vapreotide systemic_scleroderma GAP_HIGH 0.1419 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in systemic_scleroderma cell model. Expected: similar to deferasirox (Jaccard=0.18) cilazapril gout GAP_LOW 0.1419 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs gout targets. Cross-check cilazapril pharmacophore against gout pathway. orciprenaline leprosy GAP_LOW 0.1419 0.14285714285714285 lenalidomide Low-priority: Computational docking orciprenaline vs leprosy targets. Cross-check orciprenaline pharmacophore against leprosy pathway. l-ornithine hematologic_cancer GAP_LOW 0.1419 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs hematologic_cancer targets. Cross-check l-ornithine pharmacophore against hematologic_cancer pathway. estrone hypothyroidism GAP_LOW 0.1419 0.125 methimazole Low-priority: Computational docking estrone vs hypothyroidism targets. Cross-check estrone pharmacophore against hypothyroidism pathway. quinapril alopecia_areata GAP_LOW 0.1419 0.1 dexamethasone Low-priority: Computational docking quinapril vs alopecia_areata targets. Cross-check quinapril pharmacophore against alopecia_areata pathway. doxycycline ankylosing_spondylitis GAP_LOW 0.1419 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs ankylosing_spondylitis targets. Cross-check doxycycline pharmacophore against ankylosing_spondylitis pathway. succinic_acid malignant_mesothelioma GAP_LOW 0.1419 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs malignant_mesothelioma targets. Cross-check succinic_acid pharmacophore against malignant_mesothelioma pathway. acetylcysteine alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking acetylcysteine vs alcohol_dependence targets. Cross-check acetylcysteine pharmacophore against alcohol_dependence pathway. amiloride leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking amiloride vs leprosy targets. Cross-check amiloride pharmacophore against leprosy pathway. aminolevulinic_acid alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking aminolevulinic_acid vs alcohol_dependence targets. Cross-check aminolevulinic_acid pharmacophore against alcohol_dependence pathway. caffeine alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking caffeine vs alcohol_dependence targets. Cross-check caffeine pharmacophore against alcohol_dependence pathway. dextropropoxyphene leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking dextropropoxyphene vs leprosy targets. Cross-check dextropropoxyphene pharmacophore against leprosy pathway. dextrothyroxine alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking dextrothyroxine vs alcohol_dependence targets. Cross-check dextrothyroxine pharmacophore against alcohol_dependence pathway. dihomo-gamma-linolenic_acid alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs alcohol_dependence targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against alcohol_dependence pathway. drospirenone barretts_esophagus GAP_LOW 0.1419 0.0 pantoprazole Low-priority: Computational docking drospirenone vs barretts_esophagus targets. Cross-check drospirenone pharmacophore against barretts_esophagus pathway. dydrogesterone barretts_esophagus GAP_LOW 0.1419 0.0 pantoprazole Low-priority: Computational docking dydrogesterone vs barretts_esophagus targets. Cross-check dydrogesterone pharmacophore against barretts_esophagus pathway. flutamide leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking flutamide vs leprosy targets. Cross-check flutamide pharmacophore against leprosy pathway. glimepiride leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking glimepiride vs leprosy targets. Cross-check glimepiride pharmacophore against leprosy pathway. lubiprostone alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking lubiprostone vs alcohol_dependence targets. Cross-check lubiprostone pharmacophore against alcohol_dependence pathway. mannitol leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking mannitol vs leprosy targets. Cross-check mannitol pharmacophore against leprosy pathway. methyldopa barretts_esophagus GAP_LOW 0.1419 0.0 pantoprazole Low-priority: Computational docking methyldopa vs barretts_esophagus targets. Cross-check methyldopa pharmacophore against barretts_esophagus pathway. nitisinone leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking nitisinone vs leprosy targets. Cross-check nitisinone pharmacophore against leprosy pathway. penicillamine alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking penicillamine vs alcohol_dependence targets. Cross-check penicillamine pharmacophore against alcohol_dependence pathway. pravastatin leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking pravastatin vs leprosy targets. Cross-check pravastatin pharmacophore against leprosy pathway. riboflavin alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking riboflavin vs alcohol_dependence targets. Cross-check riboflavin pharmacophore against alcohol_dependence pathway. sodium_tetradecyl_sulfate alcohol_dependence GAP_LOW 0.1419 0.0 midazolam Low-priority: Computational docking sodium_tetradecyl_sulfate vs alcohol_dependence targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against alcohol_dependence pathway. tauroursodeoxycholic_acid leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking tauroursodeoxycholic_acid vs leprosy targets. Cross-check tauroursodeoxycholic_acid pharmacophore against leprosy pathway. testosterone_propionate barretts_esophagus GAP_LOW 0.1419 0.0 pantoprazole Low-priority: Computational docking testosterone_propionate vs barretts_esophagus targets. Cross-check testosterone_propionate pharmacophore against barretts_esophagus pathway. vitamin_c leprosy GAP_LOW 0.1419 0.0 sulfapyridine Low-priority: Computational docking vitamin_c vs leprosy targets. Cross-check vitamin_c pharmacophore against leprosy pathway. dimetacrine germ_cell_cancer GAP_HIGH 0.1418 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) chlordiazepoxide lung_cancer GAP_HIGH 0.1418 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in lung_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) chlordiazepoxide rectum_cancer GAP_HIGH 0.1418 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in rectum_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) diclofenac migraine GAP_HIGH 0.1418 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in migraine cell model. Expected: similar to chlorthalidone (Jaccard=0.38) estradiol_valeratedienogest penile_cancer GAP_HIGH 0.1418 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in penile_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) diethylpropion celiac_disease GAP_HIGH 0.1418 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) orciprenaline migraine GAP_HIGH 0.1418 0.2857142857142857 sotalol High-priority: Binding assay orciprenaline→?; validate in migraine cell model. Expected: similar to sotalol (Jaccard=0.29) dopamine osteoarthritis GAP_HIGH 0.1418 0.25 levonordefrin High-priority: Binding assay dopamine→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.25) isocarboxazid membranous_glomerulonephritis GAP_HIGH 0.1418 0.25 mitiglinide High-priority: Binding assay isocarboxazid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.25) methyclothiazide hematologic_cancer GAP_HIGH 0.1418 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in hematologic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) nisoldipine allergic_rhinitis GAP_HIGH 0.1418 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in allergic_rhinitis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine atopic_dermatitis GAP_HIGH 0.1418 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in atopic_dermatitis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine colon_cancer GAP_HIGH 0.1418 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in colon_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) lercanidipine malignant_mesothelioma GAP_HIGH 0.1418 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in malignant_mesothelioma cell model. Expected: similar to ifenprodil (Jaccard=0.15) spirapril osteoarthritis GAP_LOW 0.1418 0.14285714285714285 desipramine Low-priority: Computational docking spirapril vs osteoarthritis targets. Cross-check spirapril pharmacophore against osteoarthritis pathway. conivaptan primary_biliary_cirrhosis GAP_LOW 0.1418 0.125 tenofovir Low-priority: Computational docking conivaptan vs primary_biliary_cirrhosis targets. Cross-check conivaptan pharmacophore against primary_biliary_cirrhosis pathway. spirapril idiopathic_pulmonary_fibrosis GAP_LOW 0.1418 0.125 epinephrine Low-priority: Computational docking spirapril vs idiopathic_pulmonary_fibrosis targets. Cross-check spirapril pharmacophore against idiopathic_pulmonary_fibrosis pathway. dihomo-gamma-linolenic_acid crohns_disease GAP_LOW 0.1418 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs crohns_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against crohns_disease pathway. riboflavin meningioma GAP_LOW 0.1418 0.1 epirubicin Low-priority: Computational docking riboflavin vs meningioma targets. Cross-check riboflavin pharmacophore against meningioma pathway. olmesartan hepatitis_b GAP_LOW 0.1418 0.09090909090909091 alvimopan Low-priority: Computational docking olmesartan vs hepatitis_b targets. Cross-check olmesartan pharmacophore against hepatitis_b pathway. penicillamine ulcerative_colitis GAP_LOW 0.1418 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs ulcerative_colitis targets. Cross-check penicillamine pharmacophore against ulcerative_colitis pathway. caffeine kidney_cancer GAP_LOW 0.1418 0.08333333333333333 epirubicin Low-priority: Computational docking caffeine vs kidney_cancer targets. Cross-check caffeine pharmacophore against kidney_cancer pathway. succinic_acid ankylosing_spondylitis GAP_LOW 0.1418 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs ankylosing_spondylitis targets. Cross-check succinic_acid pharmacophore against ankylosing_spondylitis pathway. doxycycline brain_cancer GAP_LOW 0.1418 0.05 doxorubicin Low-priority: Computational docking doxycycline vs brain_cancer targets. Cross-check doxycycline pharmacophore against brain_cancer pathway. doxycycline intracranial_aneurysm GAP_LOW 0.1418 0.05 doxorubicin Low-priority: Computational docking doxycycline vs intracranial_aneurysm targets. Cross-check doxycycline pharmacophore against intracranial_aneurysm pathway. succinic_acid germ_cell_cancer GAP_LOW 0.1418 0.04 medrysone Low-priority: Computational docking succinic_acid vs germ_cell_cancer targets. Cross-check succinic_acid pharmacophore against germ_cell_cancer pathway. l-cystine germ_cell_cancer GAP_LOW 0.1418 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs germ_cell_cancer targets. Cross-check l-cystine pharmacophore against germ_cell_cancer pathway. allylestrenol hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking allylestrenol vs hypothyroidism targets. Cross-check allylestrenol pharmacophore against hypothyroidism pathway. clofarabine hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking clofarabine vs hypothyroidism targets. Cross-check clofarabine pharmacophore against hypothyroidism pathway. doxylamine hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking doxylamine vs hypothyroidism targets. Cross-check doxylamine pharmacophore against hypothyroidism pathway. probenecid hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking probenecid vs hypothyroidism targets. Cross-check probenecid pharmacophore against hypothyroidism pathway. ribavirin hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking ribavirin vs hypothyroidism targets. Cross-check ribavirin pharmacophore against hypothyroidism pathway. ritodrine hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking ritodrine vs hypothyroidism targets. Cross-check ritodrine pharmacophore against hypothyroidism pathway. selegiline hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking selegiline vs hypothyroidism targets. Cross-check selegiline pharmacophore against hypothyroidism pathway. sulfamethizole hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking sulfamethizole vs hypothyroidism targets. Cross-check sulfamethizole pharmacophore against hypothyroidism pathway. tolazoline hypothyroidism GAP_LOW 0.1418 0.0 methimazole Low-priority: Computational docking tolazoline vs hypothyroidism targets. Cross-check tolazoline pharmacophore against hypothyroidism pathway. sunitinib ankylosing_spondylitis GAP_HIGH 0.1417 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.40) phentermine refractive_error GAP_HIGH 0.1417 0.35714285714285715 phenylpropanolamine High-priority: Binding assay phentermine→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) afatinib germ_cell_cancer GAP_HIGH 0.1417 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in germ_cell_cancer cell model. Expected: similar to lapatinib (Jaccard=0.33) loteprednol alzheimers_disease GAP_HIGH 0.1417 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in alzheimers_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) loteprednol parkinsons_disease GAP_HIGH 0.1417 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in parkinsons_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) methamphetamine glaucoma GAP_HIGH 0.1417 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) orphenadrine primary_biliary_cirrhosis GAP_HIGH 0.1417 0.3333333333333333 tamoxifen High-priority: Binding assay orphenadrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.33) phenindamine sarcoma GAP_HIGH 0.1417 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.33) sulfaphenazole atopic_dermatitis GAP_HIGH 0.1417 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in atopic_dermatitis cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) sulfaphenazole hypertension GAP_HIGH 0.1417 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in hypertension cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) ziprasidone type_2_diabetes_mellitus GAP_HIGH 0.1417 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to azatadine (Jaccard=0.30) gliclazide panic_disorder GAP_HIGH 0.1417 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide schizophrenia GAP_HIGH 0.1417 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.27) chlorpropamide lung_cancer GAP_HIGH 0.1417 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in lung_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide rectum_cancer GAP_HIGH 0.1417 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in rectum_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) salbutamol type_1_diabetes_mellitus GAP_HIGH 0.1417 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.25) telmisartan type_1_diabetes_mellitus GAP_HIGH 0.1417 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tolbutamide (Jaccard=0.25) epinephrine malignant_mesothelioma GAP_HIGH 0.1417 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) anisindione skin_cancer GAP_HIGH 0.1417 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in skin_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.20) colchicine duodenum_cancer GAP_HIGH 0.1417 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in duodenum_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine gallbladder_cancer GAP_HIGH 0.1417 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in gallbladder_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine melanoma GAP_HIGH 0.1417 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in melanoma cell model. Expected: similar to dexamethasone (Jaccard=0.20) nisoldipine bipolar_disorder GAP_HIGH 0.1417 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in bipolar_disorder cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine pancreatic_cancer GAP_HIGH 0.1417 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in pancreatic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nilvadipine ocular_cancer GAP_HIGH 0.1417 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nilvadipine rectum_cancer GAP_HIGH 0.1417 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) eprosartan salivary_gland_cancer GAP_LOW 0.1417 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs salivary_gland_cancer targets. Cross-check eprosartan pharmacophore against salivary_gland_cancer pathway. trimethoprim atopic_dermatitis GAP_LOW 0.1417 0.14285714285714285 sirolimus Low-priority: Computational docking trimethoprim vs atopic_dermatitis targets. Cross-check trimethoprim pharmacophore against atopic_dermatitis pathway. pyrimethamine gilles_de_la_tourette_syndrome GAP_LOW 0.1417 0.11538461538461539 modafinil Low-priority: Computational docking pyrimethamine vs gilles_de_la_tourette_syndrome targets. Cross-check pyrimethamine pharmacophore against gilles_de_la_tourette_syndrome pathway. dinoprostone atherosclerosis GAP_LOW 0.1417 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs atherosclerosis targets. Cross-check dinoprostone pharmacophore against atherosclerosis pathway. heptabarbital head_and_neck_cancer GAP_LOW 0.1417 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs head_and_neck_cancer targets. Cross-check heptabarbital pharmacophore against head_and_neck_cancer pathway. ibuprofen atherosclerosis GAP_LOW 0.1417 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking ibuprofen vs atherosclerosis targets. Cross-check ibuprofen pharmacophore against atherosclerosis pathway. penicillamine psoriasis GAP_LOW 0.1417 0.08695652173913043 anisotropine_methylbromide Low-priority: Computational docking penicillamine vs psoriasis targets. Cross-check penicillamine pharmacophore against psoriasis pathway. caffeine nephrolithiasis GAP_LOW 0.1417 0.08333333333333333 epirubicin Low-priority: Computational docking caffeine vs nephrolithiasis targets. Cross-check caffeine pharmacophore against nephrolithiasis pathway. doxycycline epilepsy_syndrome GAP_LOW 0.1417 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs epilepsy_syndrome targets. Cross-check doxycycline pharmacophore against epilepsy_syndrome pathway. quinapril lymphatic_system_cancer GAP_LOW 0.1417 0.08 glucosamine Low-priority: Computational docking quinapril vs lymphatic_system_cancer targets. Cross-check quinapril pharmacophore against lymphatic_system_cancer pathway. isradipine dilated_cardiomyopathy GAP_LOW 0.1417 0.07142857142857142 medrysone Low-priority: Computational docking isradipine vs dilated_cardiomyopathy targets. Cross-check isradipine pharmacophore against dilated_cardiomyopathy pathway. moexipril leprosy GAP_LOW 0.1417 0.07142857142857142 pomalidomide Low-priority: Computational docking moexipril vs leprosy targets. Cross-check moexipril pharmacophore against leprosy pathway. calcium_acetate atherosclerosis GAP_LOW 0.1417 0.06666666666666667 floctafenine Low-priority: Computational docking calcium_acetate vs atherosclerosis targets. Cross-check calcium_acetate pharmacophore against atherosclerosis pathway. aminosalicylic_acid barretts_esophagus GAP_LOW 0.1417 0.0 pantoprazole Low-priority: Computational docking aminosalicylic_acid vs barretts_esophagus targets. Cross-check aminosalicylic_acid pharmacophore against barretts_esophagus pathway. droxidopa barretts_esophagus GAP_LOW 0.1417 0.0 pantoprazole Low-priority: Computational docking droxidopa vs barretts_esophagus targets. Cross-check droxidopa pharmacophore against barretts_esophagus pathway. ifenprodil barretts_esophagus GAP_LOW 0.1417 0.0 pantoprazole Low-priority: Computational docking ifenprodil vs barretts_esophagus targets. Cross-check ifenprodil pharmacophore against barretts_esophagus pathway. chlordiazepoxide liver_cancer GAP_HIGH 0.1416 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in liver_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) naproxen polycystic_ovary_syndrome GAP_HIGH 0.1416 0.4375 procarbazine High-priority: Binding assay naproxen→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to procarbazine (Jaccard=0.44) loteprednol amyotrophic_lateral_sclerosis GAP_HIGH 0.1416 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) loteprednol autistic_disorder GAP_HIGH 0.1416 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in autistic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) loteprednol nicotine_dependence GAP_HIGH 0.1416 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in nicotine_dependence cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) methotrexate lymphatic_system_cancer GAP_HIGH 0.1416 0.3333333333333333 flavin_adenine_dinucleotide High-priority: Binding assay methotrexate→?; validate in lymphatic_system_cancer cell model. Expected: similar to flavin_adenine_dinucleotide (Jaccard=0.33) ziprasidone vitiligo GAP_HIGH 0.1416 0.3 azatadine High-priority: Binding assay ziprasidone→?; validate in vitiligo cell model. Expected: similar to azatadine (Jaccard=0.30) gliclazide asthma GAP_HIGH 0.1416 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide colon_cancer GAP_HIGH 0.1416 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide hypertension GAP_HIGH 0.1416 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.27) benzocaine hypertension GAP_HIGH 0.1416 0.25 tetrabenazine High-priority: Binding assay benzocaine→?; validate in hypertension cell model. Expected: similar to tetrabenazine (Jaccard=0.25) pirbuterol duodenum_cancer GAP_HIGH 0.1416 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol gallbladder_cancer GAP_HIGH 0.1416 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) tolazoline salivary_gland_cancer GAP_HIGH 0.1416 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) prazepam vascular_cancer GAP_HIGH 0.1416 0.20833333333333334 chlorpromazine High-priority: Binding assay prazepam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.21) anisindione vaginal_cancer GAP_HIGH 0.1416 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in vaginal_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) anisindione vulva_cancer GAP_HIGH 0.1416 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in vulva_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.20) mephentermine pharynx_cancer GAP_HIGH 0.1416 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in pharynx_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metolazone vitiligo GAP_HIGH 0.1416 0.2 etidronic_acid High-priority: Binding assay metolazone→?; validate in vitiligo cell model. Expected: similar to etidronic_acid (Jaccard=0.20) nisoldipine endogenous_depression GAP_HIGH 0.1416 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in endogenous_depression cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine psoriasis GAP_HIGH 0.1416 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in psoriasis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine uterine_cancer GAP_HIGH 0.1416 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) captopril breast_cancer GAP_HIGH 0.1416 0.1875 afatinib High-priority: Binding assay captopril→?; validate in breast_cancer cell model. Expected: similar to afatinib (Jaccard=0.19) captopril schizophrenia GAP_HIGH 0.1416 0.1875 afatinib High-priority: Binding assay captopril→?; validate in schizophrenia cell model. Expected: similar to afatinib (Jaccard=0.19) amlodipine pancreatitis GAP_HIGH 0.1416 0.18181818181818182 difenoxin High-priority: Binding assay amlodipine→?; validate in pancreatitis cell model. Expected: similar to difenoxin (Jaccard=0.18) l-carnitine ankylosing_spondylitis GAP_HIGH 0.1416 0.17647058823529413 azatadine High-priority: Binding assay l-carnitine→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.18) nimodipine kidney_cancer GAP_HIGH 0.1416 0.15384615384615385 proparacaine High-priority: Binding assay nimodipine→?; validate in kidney_cancer cell model. Expected: similar to proparacaine (Jaccard=0.15) eprosartan muscle_cancer GAP_LOW 0.1416 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs muscle_cancer targets. Cross-check eprosartan pharmacophore against muscle_cancer pathway. oxyphenonium germ_cell_cancer GAP_LOW 0.1416 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs germ_cell_cancer targets. Cross-check oxyphenonium pharmacophore against germ_cell_cancer pathway. clenbuterol prostate_cancer GAP_LOW 0.1416 0.125 pemetrexed Low-priority: Computational docking clenbuterol vs prostate_cancer targets. Cross-check clenbuterol pharmacophore against prostate_cancer pathway. conivaptan hematologic_cancer GAP_LOW 0.1416 0.125 tenofovir Low-priority: Computational docking conivaptan vs hematologic_cancer targets. Cross-check conivaptan pharmacophore against hematologic_cancer pathway. methylphenobarbital germ_cell_cancer GAP_LOW 0.1416 0.125 tamoxifen Low-priority: Computational docking methylphenobarbital vs germ_cell_cancer targets. Cross-check methylphenobarbital pharmacophore against germ_cell_cancer pathway. glimepiride hematologic_cancer GAP_LOW 0.1416 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs hematologic_cancer targets. Cross-check glimepiride pharmacophore against hematologic_cancer pathway. aminoglutethimide head_and_neck_cancer GAP_LOW 0.1416 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs head_and_neck_cancer targets. Cross-check aminoglutethimide pharmacophore against head_and_neck_cancer pathway. aminoglutethimide malignant_glioma GAP_LOW 0.1416 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs malignant_glioma targets. Cross-check aminoglutethimide pharmacophore against malignant_glioma pathway. talbutal idiopathic_pulmonary_fibrosis GAP_LOW 0.1416 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs idiopathic_pulmonary_fibrosis targets. Cross-check talbutal pharmacophore against idiopathic_pulmonary_fibrosis pathway. aminoglutethimide esophageal_cancer GAP_LOW 0.1416 0.09090909090909091 topotecan Low-priority: Computational docking aminoglutethimide vs esophageal_cancer targets. Cross-check aminoglutethimide pharmacophore against esophageal_cancer pathway. hydrochlorothiazide leprosy GAP_LOW 0.1416 0.08333333333333333 sulfamethizole Low-priority: Computational docking hydrochlorothiazide vs leprosy targets. Cross-check hydrochlorothiazide pharmacophore against leprosy pathway. talbutal type_1_diabetes_mellitus GAP_LOW 0.1416 0.07692307692307693 exemestane Low-priority: Computational docking talbutal vs type_1_diabetes_mellitus targets. Cross-check talbutal pharmacophore against type_1_diabetes_mellitus pathway. succinic_acid vitiligo GAP_LOW 0.1416 0.06666666666666667 benzyl_alcohol Low-priority: Computational docking succinic_acid vs vitiligo targets. Cross-check succinic_acid pharmacophore against vitiligo pathway. midodrine leprosy GAP_LOW 0.1416 0.0625 sulfamethizole Low-priority: Computational docking midodrine vs leprosy targets. Cross-check midodrine pharmacophore against leprosy pathway. alimemazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1415 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dimetacrine (Jaccard=0.47) temazepam polycystic_ovary_syndrome GAP_HIGH 0.1415 0.4666666666666667 pirenzepine High-priority: Binding assay temazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirenzepine (Jaccard=0.47) desipramine primary_biliary_cirrhosis GAP_HIGH 0.1415 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.43) pirenzepine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1415 0.42857142857142855 azatadine High-priority: Binding assay pirenzepine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.43) moricizine urinary_bladder_cancer GAP_HIGH 0.1415 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) mestranol mediastinal_cancer GAP_HIGH 0.1415 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in mediastinal_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) mestranol primary_biliary_cirrhosis GAP_HIGH 0.1415 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to exemestane (Jaccard=0.33) estradiol dilated_cardiomyopathy GAP_HIGH 0.1415 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.32) fluorometholone malignant_mesothelioma GAP_HIGH 0.1415 0.3157894736842105 fludrocortisone High-priority: Binding assay fluorometholone→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.32) acenocoumarol kidney_cancer GAP_HIGH 0.1415 0.2857142857142857 quinacrine High-priority: Binding assay acenocoumarol→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.29) gliclazide allergic_rhinitis GAP_HIGH 0.1415 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide stomach_cancer GAP_HIGH 0.1415 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) chlorpropamide liver_cancer GAP_HIGH 0.1415 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in liver_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) ponatinib nephrolithiasis GAP_HIGH 0.1415 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in nephrolithiasis cell model. Expected: similar to sunitinib (Jaccard=0.25) l-methionine ocular_cancer GAP_HIGH 0.1415 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in ocular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.24) regadenoson germ_cell_cancer GAP_HIGH 0.1415 0.21052631578947367 gemcitabine High-priority: Binding assay regadenoson→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.21) anisindione testicular_cancer GAP_HIGH 0.1415 0.2 cyamemazine High-priority: Binding assay anisindione→?; validate in testicular_cancer cell model. Expected: similar to cyamemazine (Jaccard=0.20) diclofenamide creutzfeldt-jakob_disease GAP_HIGH 0.1415 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pimozide (Jaccard=0.20) metaraminol azoospermia GAP_HIGH 0.1415 0.2 atropine High-priority: Binding assay metaraminol→?; validate in azoospermia cell model. Expected: similar to atropine (Jaccard=0.20) nisoldipine migraine GAP_HIGH 0.1415 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in migraine cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine multiple_sclerosis GAP_HIGH 0.1415 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in multiple_sclerosis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine ovarian_cancer GAP_HIGH 0.1415 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in ovarian_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine sarcoma GAP_HIGH 0.1415 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in sarcoma cell model. Expected: similar to ifenprodil (Jaccard=0.20) tropicamide thyroid_cancer GAP_HIGH 0.1415 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in thyroid_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) vapreotide restless_legs_syndrome GAP_HIGH 0.1415 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in restless_legs_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan ulcerative_colitis GAP_HIGH 0.1415 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in ulcerative_colitis cell model. Expected: similar to irinotecan (Jaccard=0.17) metolazone glaucoma GAP_HIGH 0.1415 0.16666666666666666 polythiazide High-priority: Binding assay metolazone→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.17) nimodipine nephrolithiasis GAP_HIGH 0.1415 0.15384615384615385 proparacaine High-priority: Binding assay nimodipine→?; validate in nephrolithiasis cell model. Expected: similar to proparacaine (Jaccard=0.15) trimethoprim psoriasis GAP_LOW 0.1415 0.14285714285714285 sirolimus Low-priority: Computational docking trimethoprim vs psoriasis targets. Cross-check trimethoprim pharmacophore against psoriasis pathway. zolmitriptan membranous_glomerulonephritis GAP_LOW 0.1415 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs membranous_glomerulonephritis targets. Cross-check zolmitriptan pharmacophore against membranous_glomerulonephritis pathway. flutamide celiac_disease GAP_LOW 0.1415 0.1111111111111111 benzatropine Low-priority: Computational docking flutamide vs celiac_disease targets. Cross-check flutamide pharmacophore against celiac_disease pathway. vorinostat dilated_cardiomyopathy GAP_LOW 0.1415 0.10526315789473684 progesterone Low-priority: Computational docking vorinostat vs dilated_cardiomyopathy targets. Cross-check vorinostat pharmacophore against dilated_cardiomyopathy pathway. heptabarbital nephrolithiasis GAP_LOW 0.1415 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs nephrolithiasis targets. Cross-check heptabarbital pharmacophore against nephrolithiasis pathway. quazepam refractive_error GAP_LOW 0.1415 0.07692307692307693 practolol Low-priority: Computational docking quazepam vs refractive_error targets. Cross-check quazepam pharmacophore against refractive_error pathway. doxycycline coronary_artery_disease GAP_LOW 0.1415 0.07142857142857142 moexipril Low-priority: Computational docking doxycycline vs coronary_artery_disease targets. Cross-check doxycycline pharmacophore against coronary_artery_disease pathway. succinic_acid systemic_scleroderma GAP_LOW 0.1415 0.06451612903225806 acetylcysteine Low-priority: Computational docking succinic_acid vs systemic_scleroderma targets. Cross-check succinic_acid pharmacophore against systemic_scleroderma pathway. phenprocoumon type_1_diabetes_mellitus GAP_HIGH 0.1414 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.36) loteprednol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1414 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) mestranol thymus_cancer GAP_HIGH 0.1414 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in thymus_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) ethotoin uterine_fibroid GAP_HIGH 0.1414 0.3 chlorprothixene High-priority: Binding assay ethotoin→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.30) trilostane metabolic_syndrome_x GAP_HIGH 0.1414 0.3 eplerenone High-priority: Binding assay trilostane→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.30) ziprasidone rheumatoid_arthritis GAP_HIGH 0.1414 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in rheumatoid_arthritis cell model. Expected: similar to oxazepam (Jaccard=0.30) gliclazide ulcerative_colitis GAP_HIGH 0.1414 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.27) anisindione vascular_cancer GAP_HIGH 0.1414 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in vascular_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.20) danazol dilated_cardiomyopathy GAP_HIGH 0.1414 0.2 progesterone High-priority: Binding assay danazol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to progesterone (Jaccard=0.20) etidronic_acid attention_deficit_hyperactivity_disorder GAP_HIGH 0.1414 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to metolazone (Jaccard=0.20) vapreotide polycystic_ovary_syndrome GAP_HIGH 0.1414 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to deferasirox (Jaccard=0.18) vapreotide vitiligo GAP_HIGH 0.1414 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in vitiligo cell model. Expected: similar to deferasirox (Jaccard=0.18) losartan ovarian_cancer GAP_HIGH 0.1414 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in ovarian_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan uterine_cancer GAP_HIGH 0.1414 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in uterine_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) l-aspartic_acid hematologic_cancer GAP_HIGH 0.1414 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in hematologic_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) deferasirox gestational_diabetes GAP_HIGH 0.1414 0.15384615384615385 zafirlukast High-priority: Binding assay deferasirox→?; validate in gestational_diabetes cell model. Expected: similar to zafirlukast (Jaccard=0.15) nilvadipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1414 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.15) eprosartan ocular_cancer GAP_LOW 0.1414 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs ocular_cancer targets. Cross-check eprosartan pharmacophore against ocular_cancer pathway. pasireotide lung_cancer GAP_LOW 0.1414 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs lung_cancer targets. Cross-check pasireotide pharmacophore against lung_cancer pathway. pasireotide rectum_cancer GAP_LOW 0.1414 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs rectum_cancer targets. Cross-check pasireotide pharmacophore against rectum_cancer pathway. flutamide crohns_disease GAP_LOW 0.1414 0.125 bromodiphenhydramine Low-priority: Computational docking flutamide vs crohns_disease targets. Cross-check flutamide pharmacophore against crohns_disease pathway. dihomo-gamma-linolenic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1414 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. tauroursodeoxycholic_acid ankylosing_spondylitis GAP_LOW 0.1414 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs ankylosing_spondylitis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against ankylosing_spondylitis pathway. epoprostenol atherosclerosis GAP_LOW 0.1414 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs atherosclerosis targets. Cross-check epoprostenol pharmacophore against atherosclerosis pathway. diphemanil_methylsulfate barretts_esophagus GAP_LOW 0.1414 0.0 pantoprazole Low-priority: Computational docking diphemanil_methylsulfate vs barretts_esophagus targets. Cross-check diphemanil_methylsulfate pharmacophore against barretts_esophagus pathway. progesterone barretts_esophagus GAP_LOW 0.1414 0.0 pantoprazole Low-priority: Computational docking progesterone vs barretts_esophagus targets. Cross-check progesterone pharmacophore against barretts_esophagus pathway. alimemazine pancreatitis GAP_HIGH 0.1413 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in pancreatitis cell model. Expected: similar to dimetacrine (Jaccard=0.47) temazepam vascular_cancer GAP_HIGH 0.1413 0.46153846153846156 trifluoperazine High-priority: Binding assay temazepam→?; validate in vascular_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.46) diclofenac osteoarthritis GAP_HIGH 0.1413 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in osteoarthritis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) chloroprocaine hematologic_cancer GAP_HIGH 0.1413 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine narcolepsy GAP_HIGH 0.1413 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.36) oxazepam lung_cancer GAP_HIGH 0.1413 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in lung_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) oxazepam rectum_cancer GAP_HIGH 0.1413 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in rectum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) terbutaline creutzfeldt-jakob_disease GAP_HIGH 0.1413 0.3 phenylephrine High-priority: Binding assay terbutaline→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenylephrine (Jaccard=0.30) gliclazide migraine GAP_HIGH 0.1413 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.27) gliclazide ovarian_cancer GAP_HIGH 0.1413 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.27) floxuridine nephrolithiasis GAP_HIGH 0.1413 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in nephrolithiasis cell model. Expected: similar to gemcitabine (Jaccard=0.27) thalidomide brain_cancer GAP_HIGH 0.1413 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) thalidomide intracranial_aneurysm GAP_HIGH 0.1413 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.27) chlorpropamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1413 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bezafibrate (Jaccard=0.26) nandrolone_phenpropionate kidney_cancer GAP_HIGH 0.1413 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in kidney_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) mephentermine thyroid_cancer GAP_HIGH 0.1413 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in thyroid_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol membranous_glomerulonephritis GAP_HIGH 0.1413 0.2 acetophenazine High-priority: Binding assay metaraminol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to acetophenazine (Jaccard=0.20) epinephrine alopecia_areata GAP_HIGH 0.1413 0.18181818181818182 dexamethasone High-priority: Binding assay epinephrine→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.18) tioguanine meningioma GAP_HIGH 0.1413 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in meningioma cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) nicardipine uterine_cancer GAP_HIGH 0.1413 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nelarabine crohns_disease GAP_LOW 0.1413 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs crohns_disease targets. Cross-check nelarabine pharmacophore against crohns_disease pathway. gliquidone malignant_mesothelioma GAP_LOW 0.1413 0.11764705882352941 melphalan Low-priority: Computational docking gliquidone vs malignant_mesothelioma targets. Cross-check gliquidone pharmacophore against malignant_mesothelioma pathway. dinoprost_tromethamine alzheimers_disease GAP_LOW 0.1413 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs alzheimers_disease targets. Cross-check dinoprost_tromethamine pharmacophore against alzheimers_disease pathway. dinoprost_tromethamine parkinsons_disease GAP_LOW 0.1413 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs parkinsons_disease targets. Cross-check dinoprost_tromethamine pharmacophore against parkinsons_disease pathway. talbutal gout GAP_LOW 0.1413 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs gout targets. Cross-check talbutal pharmacophore against gout pathway. quazepam idiopathic_pulmonary_fibrosis GAP_LOW 0.1413 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking quazepam vs idiopathic_pulmonary_fibrosis targets. Cross-check quazepam pharmacophore against idiopathic_pulmonary_fibrosis pathway. talbutal celiac_disease GAP_LOW 0.1413 0.08333333333333333 clocortolone Low-priority: Computational docking talbutal vs celiac_disease targets. Cross-check talbutal pharmacophore against celiac_disease pathway. sodium_tetradecyl_sulfate attention_deficit_hyperactivity_disorder GAP_LOW 0.1413 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs attention_deficit_hyperactivity_disorder targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against attention_deficit_hyperactivity_disorder pathway. l-arginine bone_cancer GAP_LOW 0.1413 0.06666666666666667 tetrahydrofolic_acid Low-priority: Computational docking l-arginine vs bone_cancer targets. Cross-check l-arginine pharmacophore against bone_cancer pathway. vapreotide leprosy GAP_LOW 0.1413 0.058823529411764705 sulfamethizole Low-priority: Computational docking vapreotide vs leprosy targets. Cross-check vapreotide pharmacophore against leprosy pathway. succinic_acid meningioma GAP_LOW 0.1413 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs meningioma targets. Cross-check succinic_acid pharmacophore against meningioma pathway. naftifine gout GAP_HIGH 0.1412 0.46153846153846156 promazine High-priority: Binding assay naftifine→?; validate in gout cell model. Expected: similar to promazine (Jaccard=0.46) rimexolone amyotrophic_lateral_sclerosis GAP_HIGH 0.1412 0.42857142857142855 fludrocortisone High-priority: Binding assay rimexolone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.43) phentermine pharynx_cancer GAP_HIGH 0.1412 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) vismodegib coronary_artery_disease GAP_HIGH 0.1412 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in coronary_artery_disease cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib hematologic_cancer GAP_HIGH 0.1412 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in hematologic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.38) phenindamine testicular_cancer GAP_HIGH 0.1412 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in testicular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) ziprasidone psoriatic_arthritis GAP_HIGH 0.1412 0.3 oxazepam High-priority: Binding assay ziprasidone→?; validate in psoriatic_arthritis cell model. Expected: similar to oxazepam (Jaccard=0.30) thalidomide celiac_disease GAP_HIGH 0.1412 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) gliclazide sarcoma GAP_HIGH 0.1412 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.27) nandrolone_phenpropionate nephrolithiasis GAP_HIGH 0.1412 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in nephrolithiasis cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) anisindione systemic_scleroderma GAP_HIGH 0.1412 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in systemic_scleroderma cell model. Expected: similar to carbamazepine (Jaccard=0.20) vapreotide rheumatoid_arthritis GAP_HIGH 0.1412 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in rheumatoid_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.18) lercanidipine thyroid_cancer GAP_HIGH 0.1412 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in thyroid_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) nisoldipine celiac_disease GAP_HIGH 0.1412 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) nisoldipine chronic_kidney_failure GAP_HIGH 0.1412 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) lercanidipine meningioma GAP_HIGH 0.1412 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.15) dinoprostone melanoma GAP_LOW 0.1412 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs melanoma targets. Cross-check dinoprostone pharmacophore against melanoma pathway. eprosartan autistic_disorder GAP_LOW 0.1412 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs autistic_disorder targets. Cross-check eprosartan pharmacophore against autistic_disorder pathway. eprosartan nicotine_dependence GAP_LOW 0.1412 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs nicotine_dependence targets. Cross-check eprosartan pharmacophore against nicotine_dependence pathway. nisoldipine alopecia_areata GAP_LOW 0.1412 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs alopecia_areata targets. Cross-check nisoldipine pharmacophore against alopecia_areata pathway. pasireotide liver_cancer GAP_LOW 0.1412 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs liver_cancer targets. Cross-check pasireotide pharmacophore against liver_cancer pathway. zolpidem acquired_immunodeficiency_syndrome GAP_LOW 0.1412 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs acquired_immunodeficiency_syndrome targets. Cross-check zolpidem pharmacophore against acquired_immunodeficiency_syndrome pathway. dinoprost_tromethamine amyotrophic_lateral_sclerosis GAP_LOW 0.1412 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs amyotrophic_lateral_sclerosis targets. Cross-check dinoprost_tromethamine pharmacophore against amyotrophic_lateral_sclerosis pathway. dinoprost_tromethamine autistic_disorder GAP_LOW 0.1412 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs autistic_disorder targets. Cross-check dinoprost_tromethamine pharmacophore against autistic_disorder pathway. choline dilated_cardiomyopathy GAP_LOW 0.1412 0.10526315789473684 progesterone Low-priority: Computational docking choline vs dilated_cardiomyopathy targets. Cross-check choline pharmacophore against dilated_cardiomyopathy pathway. primidone membranous_glomerulonephritis GAP_LOW 0.1412 0.09523809523809523 naftifine Low-priority: Computational docking primidone vs membranous_glomerulonephritis targets. Cross-check primidone pharmacophore against membranous_glomerulonephritis pathway. valsartan hepatitis_b GAP_LOW 0.1412 0.09090909090909091 alvimopan Low-priority: Computational docking valsartan vs hepatitis_b targets. Cross-check valsartan pharmacophore against hepatitis_b pathway. amiloride lymphatic_system_cancer GAP_LOW 0.1412 0.07142857142857142 lamivudine Low-priority: Computational docking amiloride vs lymphatic_system_cancer targets. Cross-check amiloride pharmacophore against lymphatic_system_cancer pathway. dinoprostone gestational_diabetes GAP_LOW 0.1412 0.04 bezafibrate Low-priority: Computational docking dinoprostone vs gestational_diabetes targets. Cross-check dinoprostone pharmacophore against gestational_diabetes pathway. l-cystine penile_cancer GAP_LOW 0.1412 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs penile_cancer targets. Cross-check l-cystine pharmacophore against penile_cancer pathway. promethazine germ_cell_cancer GAP_HIGH 0.1411 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) oxazepam liver_cancer GAP_HIGH 0.1411 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in liver_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) drostanolone allergic_rhinitis GAP_HIGH 0.1411 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in allergic_rhinitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) drostanolone atopic_dermatitis GAP_HIGH 0.1411 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in atopic_dermatitis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) loteprednol panic_disorder GAP_HIGH 0.1411 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in panic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) loteprednol schizophrenia GAP_HIGH 0.1411 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in schizophrenia cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) sulfaphenazole metabolic_syndrome_x GAP_HIGH 0.1411 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in metabolic_syndrome_x cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) dobutamine muscle_cancer GAP_HIGH 0.1411 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) selegiline glaucoma GAP_HIGH 0.1411 0.2727272727272727 phenylpropanolamine High-priority: Binding assay selegiline→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) nandrolone_phenpropionate celiac_disease GAP_HIGH 0.1411 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in celiac_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) desogestrel esophageal_cancer GAP_HIGH 0.1411 0.22727272727272727 hydrocortisone High-priority: Binding assay desogestrel→?; validate in esophageal_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.23) epinephrine meningioma GAP_HIGH 0.1411 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.21) anisindione uterine_fibroid GAP_HIGH 0.1411 0.2 carbamazepine High-priority: Binding assay anisindione→?; validate in uterine_fibroid cell model. Expected: similar to carbamazepine (Jaccard=0.20) nisoldipine osteoarthritis GAP_HIGH 0.1411 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in osteoarthritis cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine skin_cancer GAP_HIGH 0.1411 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) remifentanil membranous_glomerulonephritis GAP_HIGH 0.1411 0.18181818181818182 promethazine High-priority: Binding assay remifentanil→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.18) amlodipine prostate_cancer GAP_HIGH 0.1411 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) lercanidipine epilepsy_syndrome GAP_HIGH 0.1411 0.16666666666666666 aminophenazone High-priority: Binding assay lercanidipine→?; validate in epilepsy_syndrome cell model. Expected: similar to aminophenazone (Jaccard=0.17) losartan systemic_lupus_erythematosus GAP_HIGH 0.1411 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to irinotecan (Jaccard=0.17) practolol alcohol_dependence GAP_HIGH 0.1411 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.17) eprosartan peripheral_nervous_system_neoplasm GAP_LOW 0.1411 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs peripheral_nervous_system_neoplasm targets. Cross-check eprosartan pharmacophore against peripheral_nervous_system_neoplasm pathway. eprosartan urinary_bladder_cancer GAP_LOW 0.1411 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs urinary_bladder_cancer targets. Cross-check eprosartan pharmacophore against urinary_bladder_cancer pathway. pasireotide amyotrophic_lateral_sclerosis GAP_LOW 0.1411 0.14285714285714285 zolpidem Low-priority: Computational docking pasireotide vs amyotrophic_lateral_sclerosis targets. Cross-check pasireotide pharmacophore against amyotrophic_lateral_sclerosis pathway. treprostinil azoospermia GAP_LOW 0.1411 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs azoospermia targets. Cross-check treprostinil pharmacophore against azoospermia pathway. metaraminol alcohol_dependence GAP_LOW 0.1411 0.13333333333333333 ethylmorphine Low-priority: Computational docking metaraminol vs alcohol_dependence targets. Cross-check metaraminol pharmacophore against alcohol_dependence pathway. zolmitriptan crohns_disease GAP_LOW 0.1411 0.125 naproxen Low-priority: Computational docking zolmitriptan vs crohns_disease targets. Cross-check zolmitriptan pharmacophore against crohns_disease pathway. calcium_acetate vitiligo GAP_LOW 0.1411 0.1111111111111111 l-lysine Low-priority: Computational docking calcium_acetate vs vitiligo targets. Cross-check calcium_acetate pharmacophore against vitiligo pathway. dihomo-gamma-linolenic_acid gout GAP_LOW 0.1411 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs gout targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against gout pathway. carvedilol atherosclerosis GAP_LOW 0.1411 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs atherosclerosis targets. Cross-check carvedilol pharmacophore against atherosclerosis pathway. glipizide hepatitis_b GAP_LOW 0.1411 0.1 aciclovir Low-priority: Computational docking glipizide vs hepatitis_b targets. Cross-check glipizide pharmacophore against hepatitis_b pathway. talbutal hematologic_cancer GAP_LOW 0.1411 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs hematologic_cancer targets. Cross-check talbutal pharmacophore against hematologic_cancer pathway. tauroursodeoxycholic_acid epilepsy_syndrome GAP_LOW 0.1411 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs epilepsy_syndrome targets. Cross-check tauroursodeoxycholic_acid pharmacophore against epilepsy_syndrome pathway. doxycycline stomach_cancer GAP_LOW 0.1411 0.08333333333333333 topotecan Low-priority: Computational docking doxycycline vs stomach_cancer targets. Cross-check doxycycline pharmacophore against stomach_cancer pathway. sodium_tetradecyl_sulfate panic_disorder GAP_LOW 0.1411 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs panic_disorder targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against panic_disorder pathway. sodium_tetradecyl_sulfate narcolepsy GAP_LOW 0.1411 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs narcolepsy targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against narcolepsy pathway. tetracycline atherosclerosis GAP_LOW 0.1411 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs atherosclerosis targets. Cross-check tetracycline pharmacophore against atherosclerosis pathway. loteprednol conduct_disorder GAP_HIGH 0.141 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in conduct_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) phenindamine vascular_cancer GAP_HIGH 0.141 0.3333333333333333 reboxetine High-priority: Binding assay phenindamine→?; validate in vascular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) estradiol_valeratedienogest meningioma GAP_HIGH 0.141 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in meningioma cell model. Expected: similar to exemestane (Jaccard=0.31) cinolazepam lung_cancer GAP_HIGH 0.141 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in lung_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) cinolazepam rectum_cancer GAP_HIGH 0.141 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) trilostane obesity GAP_HIGH 0.141 0.3 eplerenone High-priority: Binding assay trilostane→?; validate in obesity cell model. Expected: similar to eplerenone (Jaccard=0.30) fenbufen sarcoma GAP_HIGH 0.141 0.2692307692307692 phenytoin High-priority: Binding assay fenbufen→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.27) chlorpropamide asthma GAP_HIGH 0.141 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide panic_disorder GAP_HIGH 0.141 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in panic_disorder cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide schizophrenia GAP_HIGH 0.141 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in schizophrenia cell model. Expected: similar to bezafibrate (Jaccard=0.26) tolazoline urinary_bladder_cancer GAP_HIGH 0.141 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) clofarabine germ_cell_cancer GAP_HIGH 0.141 0.23529411764705882 gemcitabine High-priority: Binding assay clofarabine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.24) methyclothiazide melanoma GAP_HIGH 0.141 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine pharynx_cancer GAP_HIGH 0.141 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in pharynx_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) metaraminol germ_cell_cancer GAP_HIGH 0.141 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in germ_cell_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) nisoldipine vaginal_cancer GAP_HIGH 0.141 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in vaginal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) nisoldipine vulva_cancer GAP_HIGH 0.141 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) norepinephrine esophageal_cancer GAP_HIGH 0.141 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) tropicamide muscle_cancer GAP_HIGH 0.141 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in muscle_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) vapreotide psoriatic_arthritis GAP_HIGH 0.141 0.18181818181818182 deferasirox High-priority: Binding assay vapreotide→?; validate in psoriatic_arthritis cell model. Expected: similar to deferasirox (Jaccard=0.18) anisotropine_methylbromide alcohol_dependence GAP_HIGH 0.141 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in alcohol_dependence cell model. Expected: similar to heroin (Jaccard=0.17) eprosartan attention_deficit_hyperactivity_disorder GAP_LOW 0.141 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs attention_deficit_hyperactivity_disorder targets. Cross-check eprosartan pharmacophore against attention_deficit_hyperactivity_disorder pathway. pasireotide peripheral_nervous_system_neoplasm GAP_LOW 0.141 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs peripheral_nervous_system_neoplasm targets. Cross-check pasireotide pharmacophore against peripheral_nervous_system_neoplasm pathway. midodrine atherosclerosis GAP_LOW 0.141 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs atherosclerosis targets. Cross-check midodrine pharmacophore against atherosclerosis pathway. ibuprofen brain_cancer GAP_LOW 0.141 0.125 doxorubicin Low-priority: Computational docking ibuprofen vs brain_cancer targets. Cross-check ibuprofen pharmacophore against brain_cancer pathway. ibuprofen intracranial_aneurysm GAP_LOW 0.141 0.125 doxorubicin Low-priority: Computational docking ibuprofen vs intracranial_aneurysm targets. Cross-check ibuprofen pharmacophore against intracranial_aneurysm pathway. trimethoprim idiopathic_pulmonary_fibrosis GAP_LOW 0.141 0.125 alcaftadine Low-priority: Computational docking trimethoprim vs idiopathic_pulmonary_fibrosis targets. Cross-check trimethoprim pharmacophore against idiopathic_pulmonary_fibrosis pathway. dinoprost_tromethamine attention_deficit_hyperactivity_disorder GAP_LOW 0.141 0.1111111111111111 salicylic_acid Low-priority: Computational docking dinoprost_tromethamine vs attention_deficit_hyperactivity_disorder targets. Cross-check dinoprost_tromethamine pharmacophore against attention_deficit_hyperactivity_disorder pathway. glisoxepide hepatitis_b GAP_LOW 0.141 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs hepatitis_b targets. Cross-check glisoxepide pharmacophore against hepatitis_b pathway. dronedarone ulcerative_colitis GAP_LOW 0.141 0.08695652173913043 fentanyl Low-priority: Computational docking dronedarone vs ulcerative_colitis targets. Cross-check dronedarone pharmacophore against ulcerative_colitis pathway. riboflavin azoospermia GAP_LOW 0.141 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs azoospermia targets. Cross-check riboflavin pharmacophore against azoospermia pathway. doxycycline pancreatic_cancer GAP_LOW 0.141 0.08333333333333333 topotecan Low-priority: Computational docking doxycycline vs pancreatic_cancer targets. Cross-check doxycycline pharmacophore against pancreatic_cancer pathway. sodium_tetradecyl_sulfate conduct_disorder GAP_LOW 0.141 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs conduct_disorder targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against conduct_disorder pathway. sodium_tetradecyl_sulfate schizophrenia GAP_LOW 0.141 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs schizophrenia targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against schizophrenia pathway. caffeine atherosclerosis GAP_LOW 0.141 0.041666666666666664 acetylsalicylic_acid Low-priority: Computational docking caffeine vs atherosclerosis targets. Cross-check caffeine pharmacophore against atherosclerosis pathway. l-cystine malignant_mesothelioma GAP_LOW 0.141 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs malignant_mesothelioma targets. Cross-check l-cystine pharmacophore against malignant_mesothelioma pathway. bimatoprost pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking bimatoprost vs pagets_disease_of_bone targets. Cross-check bimatoprost pharmacophore against pagets_disease_of_bone pathway. chlorpropamide pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking chlorpropamide vs pagets_disease_of_bone targets. Cross-check chlorpropamide pharmacophore against pagets_disease_of_bone pathway. emtricitabine pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking emtricitabine vs pagets_disease_of_bone targets. Cross-check emtricitabine pharmacophore against pagets_disease_of_bone pathway. ephedrine pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking ephedrine vs pagets_disease_of_bone targets. Cross-check ephedrine pharmacophore against pagets_disease_of_bone pathway. flavin_adenine_dinucleotide pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking flavin_adenine_dinucleotide vs pagets_disease_of_bone targets. Cross-check flavin_adenine_dinucleotide pharmacophore against pagets_disease_of_bone pathway. latanoprost pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking latanoprost vs pagets_disease_of_bone targets. Cross-check latanoprost pharmacophore against pagets_disease_of_bone pathway. naloxone pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking naloxone vs pagets_disease_of_bone targets. Cross-check naloxone pharmacophore against pagets_disease_of_bone pathway. pomalidomide pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking pomalidomide vs pagets_disease_of_bone targets. Cross-check pomalidomide pharmacophore against pagets_disease_of_bone pathway. propofol acquired_immunodeficiency_syndrome GAP_LOW 0.141 0.0 mitiglinide Low-priority: Computational docking propofol vs acquired_immunodeficiency_syndrome targets. Cross-check propofol pharmacophore against acquired_immunodeficiency_syndrome pathway. tolbutamide pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking tolbutamide vs pagets_disease_of_bone targets. Cross-check tolbutamide pharmacophore against pagets_disease_of_bone pathway. travoprost pagets_disease_of_bone GAP_LOW 0.141 0.0 ibandronate Low-priority: Computational docking travoprost vs pagets_disease_of_bone targets. Cross-check travoprost pharmacophore against pagets_disease_of_bone pathway. dimetacrine malignant_mesothelioma GAP_HIGH 0.1409 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in malignant_mesothelioma cell model. Expected: similar to toremifene (Jaccard=0.50) chlordiazepoxide stomach_cancer GAP_HIGH 0.1409 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in stomach_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) naproxen duodenum_cancer GAP_HIGH 0.1409 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) naproxen gallbladder_cancer GAP_HIGH 0.1409 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) bethanidine osteoporosis GAP_HIGH 0.1409 0.391304347826087 pargyline High-priority: Binding assay bethanidine→?; validate in osteoporosis cell model. Expected: similar to pargyline (Jaccard=0.39) drostanolone psoriasis GAP_HIGH 0.1409 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in psoriasis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) loteprednol bipolar_disorder GAP_HIGH 0.1409 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in bipolar_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) dobutamine lung_cancer GAP_HIGH 0.1409 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) dobutamine rectum_cancer GAP_HIGH 0.1409 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) ziprasidone gout GAP_HIGH 0.1409 0.2727272727272727 diazepam High-priority: Binding assay ziprasidone→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.27) chlorpropamide colon_cancer GAP_HIGH 0.1409 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in colon_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide hypertension GAP_HIGH 0.1409 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in hypertension cell model. Expected: similar to bezafibrate (Jaccard=0.26) dapsone glaucoma GAP_HIGH 0.1409 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.23) nilotinib esophageal_cancer GAP_HIGH 0.1409 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) methyclothiazide duodenum_cancer GAP_HIGH 0.1409 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide gallbladder_cancer GAP_HIGH 0.1409 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) etidronic_acid bipolar_disorder GAP_HIGH 0.1409 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in bipolar_disorder cell model. Expected: similar to metolazone (Jaccard=0.20) mephentermine salivary_gland_cancer GAP_HIGH 0.1409 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in salivary_gland_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) nisoldipine testicular_cancer GAP_HIGH 0.1409 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in testicular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) amlodipine mediastinal_cancer GAP_HIGH 0.1409 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) lercanidipine pancreatitis GAP_HIGH 0.1409 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in pancreatitis cell model. Expected: similar to proparacaine (Jaccard=0.17) losartan skin_cancer GAP_HIGH 0.1409 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in skin_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) lercanidipine crohns_disease GAP_HIGH 0.1409 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in crohns_disease cell model. Expected: similar to ifenprodil (Jaccard=0.15) dihomo-gamma-linolenic_acid hematologic_cancer GAP_LOW 0.1409 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs hematologic_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against hematologic_cancer pathway. aminophenazone pharynx_cancer GAP_LOW 0.1409 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs pharynx_cancer targets. Cross-check aminophenazone pharmacophore against pharynx_cancer pathway. riboflavin mediastinal_cancer GAP_LOW 0.1409 0.1 epirubicin Low-priority: Computational docking riboflavin vs mediastinal_cancer targets. Cross-check riboflavin pharmacophore against mediastinal_cancer pathway. doxycycline multiple_sclerosis GAP_LOW 0.1409 0.08333333333333333 streptozocin Low-priority: Computational docking doxycycline vs multiple_sclerosis targets. Cross-check doxycycline pharmacophore against multiple_sclerosis pathway. doxycycline osteoporosis GAP_LOW 0.1409 0.08333333333333333 streptozocin Low-priority: Computational docking doxycycline vs osteoporosis targets. Cross-check doxycycline pharmacophore against osteoporosis pathway. sodium_tetradecyl_sulfate bipolar_disorder GAP_LOW 0.1409 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs bipolar_disorder targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against bipolar_disorder pathway. sodium_tetradecyl_sulfate hypertension GAP_LOW 0.1409 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs hypertension targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against hypertension pathway. esmolol leprosy GAP_LOW 0.1409 0.038461538461538464 sulfapyridine Low-priority: Computational docking esmolol vs leprosy targets. Cross-check esmolol pharmacophore against leprosy pathway. acetylcysteine dilated_cardiomyopathy GAP_LOW 0.1409 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs dilated_cardiomyopathy targets. Cross-check acetylcysteine pharmacophore against dilated_cardiomyopathy pathway. chlorcyclizine barretts_esophagus GAP_LOW 0.1409 0.0 pantoprazole Low-priority: Computational docking chlorcyclizine vs barretts_esophagus targets. Cross-check chlorcyclizine pharmacophore against barretts_esophagus pathway. ethopropazine barretts_esophagus GAP_LOW 0.1409 0.0 pantoprazole Low-priority: Computational docking ethopropazine vs barretts_esophagus targets. Cross-check ethopropazine pharmacophore against barretts_esophagus pathway. penicillamine dilated_cardiomyopathy GAP_LOW 0.1409 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs dilated_cardiomyopathy targets. Cross-check penicillamine pharmacophore against dilated_cardiomyopathy pathway. riboflavin dilated_cardiomyopathy GAP_LOW 0.1409 0.0 hydrocortisone Low-priority: Computational docking riboflavin vs dilated_cardiomyopathy targets. Cross-check riboflavin pharmacophore against dilated_cardiomyopathy pathway. chlordiazepoxide pancreatic_cancer GAP_HIGH 0.1408 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in pancreatic_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) drostanolone migraine GAP_HIGH 0.1408 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in migraine cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) drostanolone multiple_sclerosis GAP_HIGH 0.1408 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in multiple_sclerosis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) l-dopa atherosclerosis GAP_HIGH 0.1408 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in atherosclerosis cell model. Expected: similar to carbidopa (Jaccard=0.35) loteprednol endogenous_depression GAP_HIGH 0.1408 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in endogenous_depression cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) procaine atherosclerosis GAP_HIGH 0.1408 0.3157894736842105 clofibrate High-priority: Binding assay procaine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.32) cinolazepam liver_cancer GAP_HIGH 0.1408 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) trilostane hypertension GAP_HIGH 0.1408 0.29411764705882354 testosterone_propionate High-priority: Binding assay trilostane→?; validate in hypertension cell model. Expected: similar to testosterone_propionate (Jaccard=0.29) dobutamine liver_cancer GAP_HIGH 0.1408 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) mepyramine membranous_glomerulonephritis GAP_HIGH 0.1408 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.27) chlorpropamide allergic_rhinitis GAP_HIGH 0.1408 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide stomach_cancer GAP_HIGH 0.1408 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in stomach_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) hydromorphone prostate_cancer GAP_HIGH 0.1408 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in prostate_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) pirbuterol ankylosing_spondylitis GAP_HIGH 0.1408 0.25 mebendazole High-priority: Binding assay pirbuterol→?; validate in ankylosing_spondylitis cell model. Expected: similar to mebendazole (Jaccard=0.25) l-methionine panic_disorder GAP_HIGH 0.1408 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in panic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.24) l-methionine schizophrenia GAP_HIGH 0.1408 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in schizophrenia cell model. Expected: similar to l-histidine (Jaccard=0.24) ribavirin germ_cell_cancer GAP_HIGH 0.1408 0.2222222222222222 gemcitabine High-priority: Binding assay ribavirin→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.22) nisoldipine vascular_cancer GAP_HIGH 0.1408 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in vascular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.20) amlodipine thymus_cancer GAP_HIGH 0.1408 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) colchicine focal_segmental_glomerulosclerosis GAP_HIGH 0.1408 0.16666666666666666 bumetanide High-priority: Binding assay colchicine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.17) losartan testicular_cancer GAP_HIGH 0.1408 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in testicular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan vaginal_cancer GAP_HIGH 0.1408 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in vaginal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) losartan vulva_cancer GAP_HIGH 0.1408 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in vulva_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nicardipine skin_cancer GAP_HIGH 0.1408 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) pasireotide idiopathic_pulmonary_fibrosis GAP_LOW 0.1408 0.13333333333333333 zafirlukast Low-priority: Computational docking pasireotide vs idiopathic_pulmonary_fibrosis targets. Cross-check pasireotide pharmacophore against idiopathic_pulmonary_fibrosis pathway. clenbuterol kidney_cancer GAP_LOW 0.1408 0.1 methotrexate Low-priority: Computational docking clenbuterol vs kidney_cancer targets. Cross-check clenbuterol pharmacophore against kidney_cancer pathway. riboflavin thymus_cancer GAP_LOW 0.1408 0.1 epirubicin Low-priority: Computational docking riboflavin vs thymus_cancer targets. Cross-check riboflavin pharmacophore against thymus_cancer pathway. cilazapril lymphatic_system_cancer GAP_LOW 0.1408 0.08333333333333333 glucosamine Low-priority: Computational docking cilazapril vs lymphatic_system_cancer targets. Cross-check cilazapril pharmacophore against lymphatic_system_cancer pathway. glimepiride larynx_cancer GAP_LOW 0.1408 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs larynx_cancer targets. Cross-check glimepiride pharmacophore against larynx_cancer pathway. sodium_tetradecyl_sulfate endogenous_depression GAP_LOW 0.1408 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs endogenous_depression targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against endogenous_depression pathway. amobarbital glaucoma GAP_LOW 0.1408 0.06896551724137931 pseudoephedrine Low-priority: Computational docking amobarbital vs glaucoma targets. Cross-check amobarbital pharmacophore against glaucoma pathway. adenosine_triphosphate hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking adenosine_triphosphate vs hypothyroidism targets. Cross-check adenosine_triphosphate pharmacophore against hypothyroidism pathway. diclofenac hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking diclofenac vs hypothyroidism targets. Cross-check diclofenac pharmacophore against hypothyroidism pathway. ethylmorphine hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking ethylmorphine vs hypothyroidism targets. Cross-check ethylmorphine pharmacophore against hypothyroidism pathway. hydromorphone hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking hydromorphone vs hypothyroidism targets. Cross-check hydromorphone pharmacophore against hypothyroidism pathway. imipramine hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking imipramine vs hypothyroidism targets. Cross-check imipramine pharmacophore against hypothyroidism pathway. lidocaine hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking lidocaine vs hypothyroidism targets. Cross-check lidocaine pharmacophore against hypothyroidism pathway. practolol hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking practolol vs hypothyroidism targets. Cross-check practolol pharmacophore against hypothyroidism pathway. s-adenosylmethionine hypothyroidism GAP_LOW 0.1408 0.0 methimazole Low-priority: Computational docking s-adenosylmethionine vs hypothyroidism targets. Cross-check s-adenosylmethionine pharmacophore against hypothyroidism pathway. chlordiazepoxide uterine_cancer GAP_HIGH 0.1407 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in uterine_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) moricizine sarcoma GAP_HIGH 0.1407 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.41) loteprednol migraine GAP_HIGH 0.1407 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in migraine cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) sulfaphenazole obesity GAP_HIGH 0.1407 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in obesity cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) dobutamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1407 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.27) dobutamine autistic_disorder GAP_HIGH 0.1407 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.27) dobutamine nicotine_dependence GAP_HIGH 0.1407 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.27) chlorpropamide ulcerative_colitis GAP_HIGH 0.1407 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in ulcerative_colitis cell model. Expected: similar to bezafibrate (Jaccard=0.26) l-methionine atopic_dermatitis GAP_HIGH 0.1407 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in atopic_dermatitis cell model. Expected: similar to l-histidine (Jaccard=0.24) pomalidomide lymphatic_system_cancer GAP_HIGH 0.1407 0.2222222222222222 glucosamine High-priority: Binding assay pomalidomide→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.22) colchicine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1407 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine thyroid_cancer GAP_HIGH 0.1407 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in thyroid_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) etidronic_acid migraine GAP_HIGH 0.1407 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in migraine cell model. Expected: similar to metolazone (Jaccard=0.20) etidronic_acid multiple_sclerosis GAP_HIGH 0.1407 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in multiple_sclerosis cell model. Expected: similar to metolazone (Jaccard=0.20) isradipine epilepsy_syndrome GAP_HIGH 0.1407 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in epilepsy_syndrome cell model. Expected: similar to metolazone (Jaccard=0.17) lercanidipine muscle_cancer GAP_HIGH 0.1407 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in muscle_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) nicardipine vulva_cancer GAP_HIGH 0.1407 0.15384615384615385 ifenprodil High-priority: Binding assay nicardipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) eprosartan conduct_disorder GAP_LOW 0.1407 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs conduct_disorder targets. Cross-check eprosartan pharmacophore against conduct_disorder pathway. eprosartan panic_disorder GAP_LOW 0.1407 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs panic_disorder targets. Cross-check eprosartan pharmacophore against panic_disorder pathway. candesartan refractive_error GAP_LOW 0.1407 0.1111111111111111 dipivefrin Low-priority: Computational docking candesartan vs refractive_error targets. Cross-check candesartan pharmacophore against refractive_error pathway. ponatinib leprosy GAP_LOW 0.1407 0.09375 sulfamethizole Low-priority: Computational docking ponatinib vs leprosy targets. Cross-check ponatinib pharmacophore against leprosy pathway. penicillamine coronary_artery_disease GAP_LOW 0.1407 0.07142857142857142 phenylpropanolamine Low-priority: Computational docking penicillamine vs coronary_artery_disease targets. Cross-check penicillamine pharmacophore against coronary_artery_disease pathway. succinic_acid creutzfeldt-jakob_disease GAP_LOW 0.1407 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs creutzfeldt-jakob_disease targets. Cross-check succinic_acid pharmacophore against creutzfeldt-jakob_disease pathway. alpha-linolenic_acid lymphatic_system_cancer GAP_LOW 0.1407 0.0 vinblastine Low-priority: Computational docking alpha-linolenic_acid vs lymphatic_system_cancer targets. Cross-check alpha-linolenic_acid pharmacophore against lymphatic_system_cancer pathway. aminophenazone bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking aminophenazone vs bone_cancer targets. Cross-check aminophenazone pharmacophore against bone_cancer pathway. aminophenazone gestational_diabetes GAP_LOW 0.1407 0.0 tolazamide Low-priority: Computational docking aminophenazone vs gestational_diabetes targets. Cross-check aminophenazone pharmacophore against gestational_diabetes pathway. aprobarbital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking aprobarbital vs bone_cancer targets. Cross-check aprobarbital pharmacophore against bone_cancer pathway. butabarbital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking butabarbital vs bone_cancer targets. Cross-check butabarbital pharmacophore against bone_cancer pathway. butethal bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking butethal vs bone_cancer targets. Cross-check butethal pharmacophore against bone_cancer pathway. clenbuterol bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking clenbuterol vs bone_cancer targets. Cross-check clenbuterol pharmacophore against bone_cancer pathway. dronedarone lymphatic_system_cancer GAP_LOW 0.1407 0.0 vinblastine Low-priority: Computational docking dronedarone vs lymphatic_system_cancer targets. Cross-check dronedarone pharmacophore against lymphatic_system_cancer pathway. equilin bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking equilin vs bone_cancer targets. Cross-check equilin pharmacophore against bone_cancer pathway. equilin gestational_diabetes GAP_LOW 0.1407 0.0 tolazamide Low-priority: Computational docking equilin vs gestational_diabetes targets. Cross-check equilin pharmacophore against gestational_diabetes pathway. heptabarbital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking heptabarbital vs bone_cancer targets. Cross-check heptabarbital pharmacophore against bone_cancer pathway. l-cystine atherosclerosis GAP_LOW 0.1407 0.0 fenoprofen Low-priority: Computational docking l-cystine vs atherosclerosis targets. Cross-check l-cystine pharmacophore against atherosclerosis pathway. methohexital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking methohexital vs bone_cancer targets. Cross-check methohexital pharmacophore against bone_cancer pathway. orlistat atherosclerosis GAP_LOW 0.1407 0.0 fenoprofen Low-priority: Computational docking orlistat vs atherosclerosis targets. Cross-check orlistat pharmacophore against atherosclerosis pathway. orlistat lymphatic_system_cancer GAP_LOW 0.1407 0.0 vinblastine Low-priority: Computational docking orlistat vs lymphatic_system_cancer targets. Cross-check orlistat pharmacophore against lymphatic_system_cancer pathway. pentobarbital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking pentobarbital vs bone_cancer targets. Cross-check pentobarbital pharmacophore against bone_cancer pathway. phenobarbital bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking phenobarbital vs bone_cancer targets. Cross-check phenobarbital pharmacophore against bone_cancer pathway. phenobarbital gestational_diabetes GAP_LOW 0.1407 0.0 tolazamide Low-priority: Computational docking phenobarbital vs gestational_diabetes targets. Cross-check phenobarbital pharmacophore against gestational_diabetes pathway. primidone bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking primidone vs bone_cancer targets. Cross-check primidone pharmacophore against bone_cancer pathway. quazepam bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking quazepam vs bone_cancer targets. Cross-check quazepam pharmacophore against bone_cancer pathway. quazepam gestational_diabetes GAP_LOW 0.1407 0.0 tolazamide Low-priority: Computational docking quazepam vs gestational_diabetes targets. Cross-check quazepam pharmacophore against gestational_diabetes pathway. sodium_lauryl_sulfate lymphatic_system_cancer GAP_LOW 0.1407 0.0 vinblastine Low-priority: Computational docking sodium_lauryl_sulfate vs lymphatic_system_cancer targets. Cross-check sodium_lauryl_sulfate pharmacophore against lymphatic_system_cancer pathway. talbutal bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking talbutal vs bone_cancer targets. Cross-check talbutal pharmacophore against bone_cancer pathway. tetracycline bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking tetracycline vs bone_cancer targets. Cross-check tetracycline pharmacophore against bone_cancer pathway. thiamylal bone_cancer GAP_LOW 0.1407 0.0 ibandronate Low-priority: Computational docking thiamylal vs bone_cancer targets. Cross-check thiamylal pharmacophore against bone_cancer pathway. thiamylal gestational_diabetes GAP_LOW 0.1407 0.0 tolazamide Low-priority: Computational docking thiamylal vs gestational_diabetes targets. Cross-check thiamylal pharmacophore against gestational_diabetes pathway. phentermine salivary_gland_cancer GAP_HIGH 0.1406 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) aceprometazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1406 0.3333333333333333 orphenadrine High-priority: Binding assay aceprometazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to orphenadrine (Jaccard=0.33) orphenadrine duodenum_cancer GAP_HIGH 0.1406 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in duodenum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) orphenadrine gallbladder_cancer GAP_HIGH 0.1406 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in gallbladder_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) tripelennamine lung_cancer GAP_HIGH 0.1406 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in lung_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) tripelennamine rectum_cancer GAP_HIGH 0.1406 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in rectum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) oxazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1406 0.3076923076923077 trifluoperazine High-priority: Binding assay oxazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.31) diethylpropion azoospermia GAP_HIGH 0.1406 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) dobutamine urinary_bladder_cancer GAP_HIGH 0.1406 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) chlorpropamide migraine GAP_HIGH 0.1406 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in migraine cell model. Expected: similar to bezafibrate (Jaccard=0.26) chlorpropamide ovarian_cancer GAP_HIGH 0.1406 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in ovarian_cancer cell model. Expected: similar to bezafibrate (Jaccard=0.26) pirbuterol epilepsy_syndrome GAP_HIGH 0.1406 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in epilepsy_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.25) tolazoline colon_cancer GAP_HIGH 0.1406 0.25 l-tryptophan High-priority: Binding assay tolazoline→?; validate in colon_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.25) thalidomide hepatitis_b GAP_HIGH 0.1406 0.24 glucosamine High-priority: Binding assay thalidomide→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.24) ephedrine chronic_kidney_failure GAP_HIGH 0.1406 0.21428571428571427 chlorthalidone High-priority: Binding assay ephedrine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.21) methyclothiazide sclerosing_cholangitis GAP_HIGH 0.1406 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.21) tioguanine prostate_cancer GAP_HIGH 0.1406 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in prostate_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) amlodipine hematologic_cancer GAP_HIGH 0.1406 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) lercanidipine lung_cancer GAP_HIGH 0.1406 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in lung_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) losartan vascular_cancer GAP_HIGH 0.1406 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in vascular_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) nilvadipine uterine_cancer GAP_HIGH 0.1406 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nelarabine gout GAP_LOW 0.1406 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs gout targets. Cross-check nelarabine pharmacophore against gout pathway. pasireotide colon_cancer GAP_LOW 0.1406 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs colon_cancer targets. Cross-check pasireotide pharmacophore against colon_cancer pathway. epoprostenol pancreatitis GAP_LOW 0.1406 0.125 exemestane Low-priority: Computational docking epoprostenol vs pancreatitis targets. Cross-check epoprostenol pharmacophore against pancreatitis pathway. phenylephrine leprosy GAP_LOW 0.1406 0.1111111111111111 lenalidomide Low-priority: Computational docking phenylephrine vs leprosy targets. Cross-check phenylephrine pharmacophore against leprosy pathway. losartan malaria GAP_LOW 0.1406 0.08333333333333333 sulfamethizole Low-priority: Computational docking losartan vs malaria targets. Cross-check losartan pharmacophore against malaria pathway. sodium_tetradecyl_sulfate migraine GAP_LOW 0.1406 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs migraine targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against migraine pathway. butabarbital larynx_cancer GAP_LOW 0.1406 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs larynx_cancer targets. Cross-check butabarbital pharmacophore against larynx_cancer pathway. dronedarone germ_cell_cancer GAP_LOW 0.1406 0.05263157894736842 toremifene Low-priority: Computational docking dronedarone vs germ_cell_cancer targets. Cross-check dronedarone pharmacophore against germ_cell_cancer pathway. succinic_acid prostate_cancer GAP_LOW 0.1406 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs prostate_cancer targets. Cross-check succinic_acid pharmacophore against prostate_cancer pathway. phenylbutazone barretts_esophagus GAP_LOW 0.1406 0.0 pantoprazole Low-priority: Computational docking phenylbutazone vs barretts_esophagus targets. Cross-check phenylbutazone pharmacophore against barretts_esophagus pathway. thioproperazine crohns_disease GAP_HIGH 0.1405 0.5333333333333333 pirenzepine High-priority: Binding assay thioproperazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.53) mesalazine crohns_disease GAP_HIGH 0.1405 0.5 aminosalicylic_acid High-priority: Binding assay mesalazine→?; validate in crohns_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.50) testosterone_propionate esophageal_cancer GAP_HIGH 0.1405 0.391304347826087 fluoxymesterone High-priority: Binding assay testosterone_propionate→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) trilostane migraine GAP_HIGH 0.1405 0.29411764705882354 testosterone_propionate High-priority: Binding assay trilostane→?; validate in migraine cell model. Expected: similar to testosterone_propionate (Jaccard=0.29) sulfapyridine glaucoma GAP_HIGH 0.1405 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in glaucoma cell model. Expected: similar to olsalazine (Jaccard=0.29) thalidomide head_and_neck_cancer GAP_HIGH 0.1405 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) thalidomide malignant_glioma GAP_HIGH 0.1405 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) chlorpropamide sarcoma GAP_HIGH 0.1405 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in sarcoma cell model. Expected: similar to bezafibrate (Jaccard=0.26) pemetrexed psoriatic_arthritis GAP_HIGH 0.1405 0.25 sirolimus High-priority: Binding assay pemetrexed→?; validate in psoriatic_arthritis cell model. Expected: similar to sirolimus (Jaccard=0.25) l-methionine multiple_sclerosis GAP_HIGH 0.1405 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in multiple_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.24) azelastine leprosy GAP_HIGH 0.1405 0.23404255319148937 phensuximide High-priority: Binding assay azelastine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.23) dopamine brain_cancer GAP_HIGH 0.1405 0.2 histamine_phosphate High-priority: Binding assay dopamine→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) flavin_adenine_dinucleotide germ_cell_cancer GAP_HIGH 0.1405 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in germ_cell_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) nisoldipine uterine_fibroid GAP_HIGH 0.1405 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in uterine_fibroid cell model. Expected: similar to ifenprodil (Jaccard=0.20) tolazoline hepatitis_b GAP_HIGH 0.1405 0.2 mitiglinide High-priority: Binding assay tolazoline→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.20) tropicamide urinary_bladder_cancer GAP_HIGH 0.1405 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in urinary_bladder_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) colchicine type_1_diabetes_mellitus GAP_HIGH 0.1405 0.16666666666666666 glyburide High-priority: Binding assay colchicine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.17) tofisopam gout GAP_HIGH 0.1405 0.16129032258064516 modafinil High-priority: Binding assay tofisopam→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.16) lercanidipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1405 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) lercanidipine prostate_cancer GAP_HIGH 0.1405 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in prostate_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nimodipine celiac_disease GAP_LOW 0.1405 0.15 fentanyl Low-priority: Computational docking nimodipine vs celiac_disease targets. Cross-check nimodipine pharmacophore against celiac_disease pathway. flutamide coronary_artery_disease GAP_LOW 0.1405 0.125 bromodiphenhydramine Low-priority: Computational docking flutamide vs coronary_artery_disease targets. Cross-check flutamide pharmacophore against coronary_artery_disease pathway. pravastatin celiac_disease GAP_LOW 0.1405 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs celiac_disease targets. Cross-check pravastatin pharmacophore against celiac_disease pathway. pentobarbital head_and_neck_cancer GAP_LOW 0.1405 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs head_and_neck_cancer targets. Cross-check pentobarbital pharmacophore against head_and_neck_cancer pathway. phenoxybenzamine pagets_disease_of_bone GAP_LOW 0.1405 0.09090909090909091 histamine_phosphate Low-priority: Computational docking phenoxybenzamine vs pagets_disease_of_bone targets. Cross-check phenoxybenzamine pharmacophore against pagets_disease_of_bone pathway. doxycycline gout GAP_LOW 0.1405 0.06666666666666667 salicylate-sodium Low-priority: Computational docking doxycycline vs gout targets. Cross-check doxycycline pharmacophore against gout pathway. tofisopam gestational_diabetes GAP_LOW 0.1405 0.05263157894736842 sulpiride Low-priority: Computational docking tofisopam vs gestational_diabetes targets. Cross-check tofisopam pharmacophore against gestational_diabetes pathway. succinic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1405 0.02127659574468085 fenoprofen Low-priority: Computational docking succinic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check succinic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. clofedanol penile_cancer GAP_HIGH 0.1404 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.53) alimemazine malignant_mesothelioma GAP_HIGH 0.1404 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.44) oxazepam stomach_cancer GAP_HIGH 0.1404 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in stomach_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) methamphetamine refractive_error GAP_HIGH 0.1404 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) tripelennamine liver_cancer GAP_HIGH 0.1404 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in liver_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) chlorthalidone sclerosing_cholangitis GAP_HIGH 0.1404 0.25 midazolam High-priority: Binding assay chlorthalidone→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.25) phenmetrazine azoospermia GAP_HIGH 0.1404 0.25 procaine High-priority: Binding assay phenmetrazine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.25) desogestrel type_1_diabetes_mellitus GAP_HIGH 0.1404 0.22727272727272727 hydrocortisone High-priority: Binding assay desogestrel→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.23) colchicine pancreatitis GAP_HIGH 0.1404 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in pancreatitis cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine salivary_gland_cancer GAP_HIGH 0.1404 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in salivary_gland_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) mephentermine urinary_bladder_cancer GAP_HIGH 0.1404 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in urinary_bladder_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol penile_cancer GAP_HIGH 0.1404 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) tioguanine mediastinal_cancer GAP_HIGH 0.1404 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in mediastinal_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) ibuprofen autistic_disorder GAP_HIGH 0.1404 0.16666666666666666 l-arginine High-priority: Binding assay ibuprofen→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) ibuprofen nicotine_dependence GAP_HIGH 0.1404 0.16666666666666666 l-arginine High-priority: Binding assay ibuprofen→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.17) lercanidipine liver_cancer GAP_HIGH 0.1404 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) trifluridine atopic_dermatitis GAP_HIGH 0.1404 0.16666666666666666 sirolimus High-priority: Binding assay trifluridine→?; validate in atopic_dermatitis cell model. Expected: similar to sirolimus (Jaccard=0.17) trifluridine breast_cancer GAP_HIGH 0.1404 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay trifluridine→?; validate in breast_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) tropicamide penile_cancer GAP_HIGH 0.1404 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) eprosartan endogenous_depression GAP_LOW 0.1404 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs endogenous_depression targets. Cross-check eprosartan pharmacophore against endogenous_depression pathway. eprosartan uterine_cancer GAP_LOW 0.1404 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs uterine_cancer targets. Cross-check eprosartan pharmacophore against uterine_cancer pathway. estriol nicotine_dependence GAP_LOW 0.1404 0.14285714285714285 l-tryptophan Low-priority: Computational docking estriol vs nicotine_dependence targets. Cross-check estriol pharmacophore against nicotine_dependence pathway. l-ornithine pharynx_cancer GAP_LOW 0.1404 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs pharynx_cancer targets. Cross-check l-ornithine pharmacophore against pharynx_cancer pathway. conivaptan sclerosing_cholangitis GAP_LOW 0.1404 0.125 tenofovir Low-priority: Computational docking conivaptan vs sclerosing_cholangitis targets. Cross-check conivaptan pharmacophore against sclerosing_cholangitis pathway. doxycycline osteoarthritis GAP_LOW 0.1404 0.08333333333333333 streptozocin Low-priority: Computational docking doxycycline vs osteoarthritis targets. Cross-check doxycycline pharmacophore against osteoarthritis pathway. doxycycline asthma GAP_LOW 0.1404 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs asthma targets. Cross-check doxycycline pharmacophore against asthma pathway. doxycycline panic_disorder GAP_LOW 0.1404 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs panic_disorder targets. Cross-check doxycycline pharmacophore against panic_disorder pathway. succinic_acid mediastinal_cancer GAP_LOW 0.1404 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs mediastinal_cancer targets. Cross-check succinic_acid pharmacophore against mediastinal_cancer pathway. l-cystine meningioma GAP_LOW 0.1404 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs meningioma targets. Cross-check l-cystine pharmacophore against meningioma pathway. tetracycline acquired_immunodeficiency_syndrome GAP_LOW 0.1404 0.03333333333333333 vidarabine Low-priority: Computational docking tetracycline vs acquired_immunodeficiency_syndrome targets. Cross-check tetracycline pharmacophore against acquired_immunodeficiency_syndrome pathway. glutethimide dilated_cardiomyopathy GAP_LOW 0.1404 0.03225806451612903 rimexolone Low-priority: Computational docking glutethimide vs dilated_cardiomyopathy targets. Cross-check glutethimide pharmacophore against dilated_cardiomyopathy pathway. promethazine malignant_mesothelioma GAP_HIGH 0.1403 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.50) temazepam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1403 0.42857142857142855 azatadine High-priority: Binding assay temazepam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.43) moricizine skin_cancer GAP_HIGH 0.1403 0.4117647058823529 ethopropazine High-priority: Binding assay moricizine→?; validate in skin_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.41) propiomazine sclerosing_cholangitis GAP_HIGH 0.1403 0.4 mepenzolate High-priority: Binding assay propiomazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to mepenzolate (Jaccard=0.40) diclofenac rheumatoid_arthritis GAP_HIGH 0.1403 0.38461538461538464 chlorthalidone High-priority: Binding assay diclofenac→?; validate in rheumatoid_arthritis cell model. Expected: similar to chlorthalidone (Jaccard=0.38) lacosamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1403 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.38) phentermine ocular_cancer GAP_HIGH 0.1403 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in ocular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) oxazepam pancreatic_cancer GAP_HIGH 0.1403 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in pancreatic_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) drostanolone osteoarthritis GAP_HIGH 0.1403 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in osteoarthritis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) gliclazide uterine_fibroid GAP_HIGH 0.1403 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.27) thalidomide nephrolithiasis GAP_HIGH 0.1403 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.27) tolazoline uterine_cancer GAP_HIGH 0.1403 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) cyproheptadine malaria GAP_HIGH 0.1403 0.2222222222222222 caffeine High-priority: Binding assay cyproheptadine→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.22) epinephrine mediastinal_cancer GAP_HIGH 0.1403 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) methyclothiazide pharynx_cancer GAP_HIGH 0.1403 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine muscle_cancer GAP_HIGH 0.1403 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in muscle_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) diclofenamide alzheimers_disease GAP_HIGH 0.1403 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in alzheimers_disease cell model. Expected: similar to pimozide (Jaccard=0.20) etidronic_acid metabolic_syndrome_x GAP_HIGH 0.1403 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in metabolic_syndrome_x cell model. Expected: similar to metolazone (Jaccard=0.20) nisoldipine restless_legs_syndrome GAP_HIGH 0.1403 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in restless_legs_syndrome cell model. Expected: similar to ifenprodil (Jaccard=0.20) tioguanine thymus_cancer GAP_HIGH 0.1403 0.18181818181818182 tetrahydrofolic_acid High-priority: Binding assay tioguanine→?; validate in thymus_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.18) lercanidipine urinary_bladder_cancer GAP_HIGH 0.1403 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) losartan uterine_fibroid GAP_HIGH 0.1403 0.16666666666666666 irinotecan High-priority: Binding assay losartan→?; validate in uterine_fibroid cell model. Expected: similar to irinotecan (Jaccard=0.17) moexipril larynx_cancer GAP_HIGH 0.1403 0.16666666666666666 irinotecan High-priority: Binding assay moexipril→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.17) lercanidipine mediastinal_cancer GAP_HIGH 0.1403 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in mediastinal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) eprosartan sarcoma GAP_LOW 0.1403 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs sarcoma targets. Cross-check eprosartan pharmacophore against sarcoma pathway. pasireotide ovarian_cancer GAP_LOW 0.1403 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs ovarian_cancer targets. Cross-check pasireotide pharmacophore against ovarian_cancer pathway. triamterene glaucoma GAP_LOW 0.1403 0.14285714285714285 choline Low-priority: Computational docking triamterene vs glaucoma targets. Cross-check triamterene pharmacophore against glaucoma pathway. gliclazide alcohol_dependence GAP_LOW 0.1403 0.125 naloxone Low-priority: Computational docking gliclazide vs alcohol_dependence targets. Cross-check gliclazide pharmacophore against alcohol_dependence pathway. aminophenazone salivary_gland_cancer GAP_LOW 0.1403 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs salivary_gland_cancer targets. Cross-check aminophenazone pharmacophore against salivary_gland_cancer pathway. talbutal duodenum_cancer GAP_LOW 0.1403 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs duodenum_cancer targets. Cross-check talbutal pharmacophore against duodenum_cancer pathway. talbutal gallbladder_cancer GAP_LOW 0.1403 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs gallbladder_cancer targets. Cross-check talbutal pharmacophore against gallbladder_cancer pathway. pentobarbital nephrolithiasis GAP_LOW 0.1403 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs nephrolithiasis targets. Cross-check pentobarbital pharmacophore against nephrolithiasis pathway. doxycycline allergic_rhinitis GAP_LOW 0.1403 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs allergic_rhinitis targets. Cross-check doxycycline pharmacophore against allergic_rhinitis pathway. sodium_tetradecyl_sulfate metabolic_syndrome_x GAP_LOW 0.1403 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs metabolic_syndrome_x targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against metabolic_syndrome_x pathway. succinic_acid thymus_cancer GAP_LOW 0.1403 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs thymus_cancer targets. Cross-check succinic_acid pharmacophore against thymus_cancer pathway. fentanyl barretts_esophagus GAP_LOW 0.1403 0.0 pantoprazole Low-priority: Computational docking fentanyl vs barretts_esophagus targets. Cross-check fentanyl pharmacophore against barretts_esophagus pathway. medrysone barretts_esophagus GAP_LOW 0.1403 0.0 pantoprazole Low-priority: Computational docking medrysone vs barretts_esophagus targets. Cross-check medrysone pharmacophore against barretts_esophagus pathway. mesalazine barretts_esophagus GAP_LOW 0.1403 0.0 pantoprazole Low-priority: Computational docking mesalazine vs barretts_esophagus targets. Cross-check mesalazine pharmacophore against barretts_esophagus pathway. sunitinib colon_cancer GAP_HIGH 0.1402 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.40) propafenone crohns_disease GAP_HIGH 0.1402 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.39) oxazepam uterine_cancer GAP_HIGH 0.1402 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in uterine_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) diethylpropion malaria GAP_HIGH 0.1402 0.25 aminoglutethimide High-priority: Binding assay diethylpropion→?; validate in malaria cell model. Expected: similar to aminoglutethimide (Jaccard=0.25) pirbuterol muscle_cancer GAP_HIGH 0.1402 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in muscle_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.25) tolazoline sarcoma GAP_HIGH 0.1402 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.25) ziprasidone chronic_kidney_failure GAP_HIGH 0.1402 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in chronic_kidney_failure cell model. Expected: similar to temazepam (Jaccard=0.25) epinephrine gout GAP_HIGH 0.1402 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in gout cell model. Expected: similar to olsalazine (Jaccard=0.21) epinephrine primary_biliary_cirrhosis GAP_HIGH 0.1402 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to olsalazine (Jaccard=0.21) diclofenamide autistic_disorder GAP_HIGH 0.1402 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in autistic_disorder cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide nicotine_dependence GAP_HIGH 0.1402 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in nicotine_dependence cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide parkinsons_disease GAP_HIGH 0.1402 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in parkinsons_disease cell model. Expected: similar to pimozide (Jaccard=0.20) metaraminol malignant_mesothelioma GAP_HIGH 0.1402 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.20) nisoldipine vitiligo GAP_HIGH 0.1402 0.2 ifenprodil High-priority: Binding assay nisoldipine→?; validate in vitiligo cell model. Expected: similar to ifenprodil (Jaccard=0.20) metolazone refractive_error GAP_HIGH 0.1402 0.16666666666666666 polythiazide High-priority: Binding assay metolazone→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.17) trifluridine psoriasis GAP_HIGH 0.1402 0.16666666666666666 sirolimus High-priority: Binding assay trifluridine→?; validate in psoriasis cell model. Expected: similar to sirolimus (Jaccard=0.17) lercanidipine thymus_cancer GAP_HIGH 0.1402 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in thymus_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) nilvadipine skin_cancer GAP_HIGH 0.1402 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) oxyphenonium meningioma GAP_LOW 0.1402 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs meningioma targets. Cross-check oxyphenonium pharmacophore against meningioma pathway. ibuprofen head_and_neck_cancer GAP_LOW 0.1402 0.125 doxorubicin Low-priority: Computational docking ibuprofen vs head_and_neck_cancer targets. Cross-check ibuprofen pharmacophore against head_and_neck_cancer pathway. ibuprofen malignant_glioma GAP_LOW 0.1402 0.125 doxorubicin Low-priority: Computational docking ibuprofen vs malignant_glioma targets. Cross-check ibuprofen pharmacophore against malignant_glioma pathway. zolmitriptan narcolepsy GAP_LOW 0.1402 0.125 naproxen Low-priority: Computational docking zolmitriptan vs narcolepsy targets. Cross-check zolmitriptan pharmacophore against narcolepsy pathway. amiloride crohns_disease GAP_LOW 0.1402 0.1111111111111111 progesterone Low-priority: Computational docking amiloride vs crohns_disease targets. Cross-check amiloride pharmacophore against crohns_disease pathway. irbesartan crohns_disease GAP_LOW 0.1402 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs crohns_disease targets. Cross-check irbesartan pharmacophore against crohns_disease pathway. tauroursodeoxycholic_acid attention_deficit_hyperactivity_disorder GAP_LOW 0.1402 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs attention_deficit_hyperactivity_disorder targets. Cross-check tauroursodeoxycholic_acid pharmacophore against attention_deficit_hyperactivity_disorder pathway. caffeine celiac_disease GAP_LOW 0.1402 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking caffeine vs celiac_disease targets. Cross-check caffeine pharmacophore against celiac_disease pathway. riboflavin focal_segmental_glomerulosclerosis GAP_LOW 0.1402 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs focal_segmental_glomerulosclerosis targets. Cross-check riboflavin pharmacophore against focal_segmental_glomerulosclerosis pathway. succinic_acid atopic_dermatitis GAP_LOW 0.1402 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs atopic_dermatitis targets. Cross-check succinic_acid pharmacophore against atopic_dermatitis pathway. chlordiazepoxide testicular_cancer GAP_HIGH 0.1401 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in testicular_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) chlordiazepoxide vaginal_cancer GAP_HIGH 0.1401 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in vaginal_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) chlordiazepoxide vulva_cancer GAP_HIGH 0.1401 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in vulva_cancer cell model. Expected: similar to loxapine (Jaccard=0.46) atomoxetine malignant_mesothelioma GAP_HIGH 0.1401 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.44) chloroprocaine creutzfeldt-jakob_disease GAP_HIGH 0.1401 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.36) cinolazepam stomach_cancer GAP_HIGH 0.1401 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in stomach_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) sulfaphenazole polycystic_ovary_syndrome GAP_HIGH 0.1401 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) sulfaphenazole type_2_diabetes_mellitus GAP_HIGH 0.1401 0.3076923076923077 salicylate-sodium High-priority: Binding assay sulfaphenazole→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) dobutamine breast_cancer GAP_HIGH 0.1401 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in breast_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) dobutamine colon_cancer GAP_HIGH 0.1401 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) dobutamine stomach_cancer GAP_HIGH 0.1401 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) pirbuterol lung_cancer GAP_HIGH 0.1401 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol rectum_cancer GAP_HIGH 0.1401 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) telmisartan kidney_cancer GAP_HIGH 0.1401 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in kidney_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.25) chlorthalidone kidney_cancer GAP_HIGH 0.1401 0.22727272727272727 quinacrine High-priority: Binding assay chlorthalidone→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.23) l-phenylalanine atherosclerosis GAP_HIGH 0.1401 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in atherosclerosis cell model. Expected: similar to phenacemide (Jaccard=0.23) epinephrine thymus_cancer GAP_HIGH 0.1401 0.21428571428571427 doxorubicin High-priority: Binding assay epinephrine→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.21) methyclothiazide ankylosing_spondylitis GAP_HIGH 0.1401 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.21) benzocaine esophageal_cancer GAP_HIGH 0.1401 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) colchicine lung_cancer GAP_HIGH 0.1401 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in lung_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine ocular_cancer GAP_HIGH 0.1401 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in ocular_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine rectum_cancer GAP_HIGH 0.1401 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in rectum_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) diclofenamide amyotrophic_lateral_sclerosis GAP_HIGH 0.1401 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pimozide (Jaccard=0.20) tioguanine coronary_artery_disease GAP_HIGH 0.1401 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in coronary_artery_disease cell model. Expected: similar to moricizine (Jaccard=0.18) dopamine lymphatic_system_cancer GAP_HIGH 0.1401 0.16666666666666666 streptozocin High-priority: Binding assay dopamine→?; validate in lymphatic_system_cancer cell model. Expected: similar to streptozocin (Jaccard=0.17) nilvadipine vulva_cancer GAP_HIGH 0.1401 0.15384615384615385 ifenprodil High-priority: Binding assay nilvadipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) eprosartan crohns_disease GAP_LOW 0.1401 0.125 cinnarizine Low-priority: Computational docking eprosartan vs crohns_disease targets. Cross-check eprosartan pharmacophore against crohns_disease pathway. dihomo-gamma-linolenic_acid duodenum_cancer GAP_LOW 0.1401 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs duodenum_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against duodenum_cancer pathway. dihomo-gamma-linolenic_acid gallbladder_cancer GAP_LOW 0.1401 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs gallbladder_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against gallbladder_cancer pathway. dihomo-gamma-linolenic_acid melanoma GAP_LOW 0.1401 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs melanoma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against melanoma pathway. labetalol germ_cell_cancer GAP_LOW 0.1401 0.1 voacamine Low-priority: Computational docking labetalol vs germ_cell_cancer targets. Cross-check labetalol pharmacophore against germ_cell_cancer pathway. methamphetamine pagets_disease_of_bone GAP_LOW 0.1401 0.1 histamine_phosphate Low-priority: Computational docking methamphetamine vs pagets_disease_of_bone targets. Cross-check methamphetamine pharmacophore against pagets_disease_of_bone pathway. amobarbital penile_cancer GAP_LOW 0.1401 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs penile_cancer targets. Cross-check amobarbital pharmacophore against penile_cancer pathway. doxycycline psoriasis GAP_LOW 0.1401 0.08 acetylsalicylic_acid Low-priority: Computational docking doxycycline vs psoriasis targets. Cross-check doxycycline pharmacophore against psoriasis pathway. losartan lymphatic_system_cancer GAP_LOW 0.1401 0.07692307692307693 glucosamine Low-priority: Computational docking losartan vs lymphatic_system_cancer targets. Cross-check losartan pharmacophore against lymphatic_system_cancer pathway. riboflavin gilles_de_la_tourette_syndrome GAP_LOW 0.1401 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs gilles_de_la_tourette_syndrome targets. Cross-check riboflavin pharmacophore against gilles_de_la_tourette_syndrome pathway. succinic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1401 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check succinic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. modafinil barretts_esophagus GAP_LOW 0.1401 0.0 pantoprazole Low-priority: Computational docking modafinil vs barretts_esophagus targets. Cross-check modafinil pharmacophore against barretts_esophagus pathway. phentermine peripheral_nervous_system_neoplasm GAP_HIGH 0.14 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lacosamide (Jaccard=0.38) phentermine urinary_bladder_cancer GAP_HIGH 0.14 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) antazoline uterine_cancer GAP_HIGH 0.14 0.3333333333333333 tamoxifen High-priority: Binding assay antazoline→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) oxazepam crohns_disease GAP_HIGH 0.14 0.3333333333333333 pirenzepine High-priority: Binding assay oxazepam→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.33) cinolazepam pancreatic_cancer GAP_HIGH 0.14 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in pancreatic_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) cinolazepam ulcerative_colitis GAP_HIGH 0.14 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.31) dobutamine pancreatic_cancer GAP_HIGH 0.14 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.27) gliclazide restless_legs_syndrome GAP_HIGH 0.14 0.2692307692307692 bezafibrate High-priority: Binding assay gliclazide→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.27) acenocoumarol atherosclerosis GAP_HIGH 0.14 0.2413793103448276 flurbiprofen High-priority: Binding assay acenocoumarol→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.24) methyclothiazide thyroid_cancer GAP_HIGH 0.14 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine liver_cancer GAP_HIGH 0.14 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in liver_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) remifentanil uterine_cancer GAP_HIGH 0.14 0.2 tamoxifen High-priority: Binding assay remifentanil→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) thalidomide alcohol_dependence GAP_HIGH 0.14 0.16666666666666666 naloxone High-priority: Binding assay thalidomide→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.17) lercanidipine hematologic_cancer GAP_HIGH 0.14 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in hematologic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) lercanidipine narcolepsy GAP_HIGH 0.14 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in narcolepsy cell model. Expected: similar to ifenprodil (Jaccard=0.15) cilazapril ankylosing_spondylitis GAP_LOW 0.14 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs ankylosing_spondylitis targets. Cross-check cilazapril pharmacophore against ankylosing_spondylitis pathway. dinoprostone primary_biliary_cirrhosis GAP_LOW 0.14 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs primary_biliary_cirrhosis targets. Cross-check dinoprostone pharmacophore against primary_biliary_cirrhosis pathway. l-ornithine epilepsy_syndrome GAP_LOW 0.14 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs epilepsy_syndrome targets. Cross-check l-ornithine pharmacophore against epilepsy_syndrome pathway. trimethoprim chronic_obstructive_pulmonary_disease GAP_LOW 0.14 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs chronic_obstructive_pulmonary_disease targets. Cross-check trimethoprim pharmacophore against chronic_obstructive_pulmonary_disease pathway. irbesartan nicotine_dependence GAP_LOW 0.14 0.125 naloxone Low-priority: Computational docking irbesartan vs nicotine_dependence targets. Cross-check irbesartan pharmacophore against nicotine_dependence pathway. trimethoprim celiac_disease GAP_LOW 0.14 0.10526315789473684 sorafenib Low-priority: Computational docking trimethoprim vs celiac_disease targets. Cross-check trimethoprim pharmacophore against celiac_disease pathway. tropicamide alcohol_dependence GAP_LOW 0.14 0.10256410256410256 mazindol Low-priority: Computational docking tropicamide vs alcohol_dependence targets. Cross-check tropicamide pharmacophore against alcohol_dependence pathway. aminophenazone ocular_cancer GAP_LOW 0.14 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs ocular_cancer targets. Cross-check aminophenazone pharmacophore against ocular_cancer pathway. primidone germ_cell_cancer GAP_LOW 0.14 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs germ_cell_cancer targets. Cross-check primidone pharmacophore against germ_cell_cancer pathway. aprobarbital head_and_neck_cancer GAP_LOW 0.14 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs head_and_neck_cancer targets. Cross-check aprobarbital pharmacophore against head_and_neck_cancer pathway. butethal head_and_neck_cancer GAP_LOW 0.14 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs head_and_neck_cancer targets. Cross-check butethal pharmacophore against head_and_neck_cancer pathway. gliquidone malaria GAP_LOW 0.14 0.07692307692307693 sulfapyridine Low-priority: Computational docking gliquidone vs malaria targets. Cross-check gliquidone pharmacophore against malaria pathway. valsartan lymphatic_system_cancer GAP_LOW 0.14 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs lymphatic_system_cancer targets. Cross-check valsartan pharmacophore against lymphatic_system_cancer pathway. dronedarone gout GAP_LOW 0.14 0.0625 pirenzepine Low-priority: Computational docking dronedarone vs gout targets. Cross-check dronedarone pharmacophore against gout pathway. ethinyl_estradiol hypothyroidism GAP_LOW 0.14 0.058823529411764705 methimazole Low-priority: Computational docking ethinyl_estradiol vs hypothyroidism targets. Cross-check ethinyl_estradiol pharmacophore against hypothyroidism pathway. riboflavin atherosclerosis GAP_LOW 0.14 0.037037037037037035 warfarin Low-priority: Computational docking riboflavin vs atherosclerosis targets. Cross-check riboflavin pharmacophore against atherosclerosis pathway. l-cystine malaria GAP_LOW 0.14 0.0 ethotoin Low-priority: Computational docking l-cystine vs malaria targets. Cross-check l-cystine pharmacophore against malaria pathway. orlistat malaria GAP_LOW 0.14 0.0 ethotoin Low-priority: Computational docking orlistat vs malaria targets. Cross-check orlistat pharmacophore against malaria pathway. sodium_lauryl_sulfate malaria GAP_LOW 0.14 0.0 ethotoin Low-priority: Computational docking sodium_lauryl_sulfate vs malaria targets. Cross-check sodium_lauryl_sulfate pharmacophore against malaria pathway. succinic_acid malaria GAP_LOW 0.14 0.0 ethotoin Low-priority: Computational docking succinic_acid vs malaria targets. Cross-check succinic_acid pharmacophore against malaria pathway. drospirenone polycystic_ovary_syndrome GAP_HIGH 0.1399 0.5294117647058824 dydrogesterone High-priority: Binding assay drospirenone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to dydrogesterone (Jaccard=0.53) acepromazine pancreatitis GAP_HIGH 0.1399 0.5 nortriptyline High-priority: Binding assay acepromazine→?; validate in pancreatitis cell model. Expected: similar to nortriptyline (Jaccard=0.50) sunitinib osteoporosis GAP_HIGH 0.1399 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.40) sunitinib psoriasis GAP_HIGH 0.1399 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.40) phensuximide chronic_kidney_failure GAP_HIGH 0.1399 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in chronic_kidney_failure cell model. Expected: similar to clomipramine (Jaccard=0.39) cortisone_acetate pancreatitis GAP_HIGH 0.1399 0.375 prednisone High-priority: Binding assay cortisone_acetate→?; validate in pancreatitis cell model. Expected: similar to prednisone (Jaccard=0.38) loteprednol obesity GAP_HIGH 0.1399 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in obesity cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) cinolazepam uterine_cancer GAP_HIGH 0.1399 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) eplerenone esophageal_cancer GAP_HIGH 0.1399 0.2857142857142857 exemestane High-priority: Binding assay eplerenone→?; validate in esophageal_cancer cell model. Expected: similar to exemestane (Jaccard=0.29) dobutamine ulcerative_colitis GAP_HIGH 0.1399 0.2727272727272727 l-dopa High-priority: Binding assay dobutamine→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.27) thalidomide azoospermia GAP_HIGH 0.1399 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) ziprasidone duodenum_cancer GAP_HIGH 0.1399 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in duodenum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) ziprasidone gallbladder_cancer GAP_HIGH 0.1399 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in gallbladder_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) etonogestrel head_and_neck_cancer GAP_HIGH 0.1399 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) pirbuterol autistic_disorder GAP_HIGH 0.1399 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol liver_cancer GAP_HIGH 0.1399 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol nicotine_dependence GAP_HIGH 0.1399 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.25) salbutamol celiac_disease GAP_HIGH 0.1399 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.25) atenolol chronic_kidney_failure GAP_HIGH 0.1399 0.24242424242424243 fenoprofen High-priority: Binding assay atenolol→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.24) diclofenamide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1399 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pimozide (Jaccard=0.20) etidronic_acid obesity GAP_HIGH 0.1399 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in obesity cell model. Expected: similar to metolazone (Jaccard=0.20) colchicine brain_cancer GAP_HIGH 0.1399 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) quinethazone acquired_immunodeficiency_syndrome GAP_HIGH 0.1399 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.17) l-aspartic_acid pharynx_cancer GAP_HIGH 0.1399 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) estazolam leprosy GAP_LOW 0.1399 0.13953488372093023 phensuximide Low-priority: Computational docking estazolam vs leprosy targets. Cross-check estazolam pharmacophore against leprosy pathway. tauroursodeoxycholic_acid conduct_disorder GAP_LOW 0.1399 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs conduct_disorder targets. Cross-check tauroursodeoxycholic_acid pharmacophore against conduct_disorder pathway. tauroursodeoxycholic_acid panic_disorder GAP_LOW 0.1399 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs panic_disorder targets. Cross-check tauroursodeoxycholic_acid pharmacophore against panic_disorder pathway. tauroursodeoxycholic_acid schizophrenia GAP_LOW 0.1399 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs schizophrenia targets. Cross-check tauroursodeoxycholic_acid pharmacophore against schizophrenia pathway. methocarbamol gestational_diabetes GAP_LOW 0.1399 0.06666666666666667 tolbutamide Low-priority: Computational docking methocarbamol vs gestational_diabetes targets. Cross-check methocarbamol pharmacophore against gestational_diabetes pathway. sodium_tetradecyl_sulfate creutzfeldt-jakob_disease GAP_LOW 0.1399 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs creutzfeldt-jakob_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against creutzfeldt-jakob_disease pathway. quazepam alopecia_areata GAP_LOW 0.1399 0.058823529411764705 levorphanol Low-priority: Computational docking quazepam vs alopecia_areata targets. Cross-check quazepam pharmacophore against alopecia_areata pathway. amobarbital alopecia_areata GAP_LOW 0.1399 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking amobarbital vs alopecia_areata targets. Cross-check amobarbital pharmacophore against alopecia_areata pathway. succinic_acid multiple_sclerosis GAP_LOW 0.1399 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs multiple_sclerosis targets. Cross-check succinic_acid pharmacophore against multiple_sclerosis pathway. clofedanol barretts_esophagus GAP_LOW 0.1399 0.0 pantoprazole Low-priority: Computational docking clofedanol vs barretts_esophagus targets. Cross-check clofedanol pharmacophore against barretts_esophagus pathway. loperamide barretts_esophagus GAP_LOW 0.1399 0.0 pantoprazole Low-priority: Computational docking loperamide vs barretts_esophagus targets. Cross-check loperamide pharmacophore against barretts_esophagus pathway. thioproperazine gout GAP_HIGH 0.1398 0.5333333333333333 pirenzepine High-priority: Binding assay thioproperazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.53) alimemazine sarcoma GAP_HIGH 0.1398 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in sarcoma cell model. Expected: similar to dimetacrine (Jaccard=0.47) diphenylpyraline malaria GAP_HIGH 0.1398 0.45454545454545453 modafinil High-priority: Binding assay diphenylpyraline→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.45) azelastine vascular_cancer GAP_HIGH 0.1398 0.4444444444444444 chlorpromazine High-priority: Binding assay azelastine→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.44) testosterone_propionate mediastinal_cancer GAP_HIGH 0.1398 0.42105263157894735 medrysone High-priority: Binding assay testosterone_propionate→?; validate in mediastinal_cancer cell model. Expected: similar to medrysone (Jaccard=0.42) propafenone prostate_cancer GAP_HIGH 0.1398 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in prostate_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) lacosamide coronary_artery_disease GAP_HIGH 0.1398 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in coronary_artery_disease cell model. Expected: similar to phentermine (Jaccard=0.38) masoprocol germ_cell_cancer GAP_HIGH 0.1398 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) dobutamine ovarian_cancer GAP_HIGH 0.1398 0.2727272727272727 levonordefrin High-priority: Binding assay dobutamine→?; validate in ovarian_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.27) selegiline refractive_error GAP_HIGH 0.1398 0.2727272727272727 phenylpropanolamine High-priority: Binding assay selegiline→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) melatonin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1398 0.25 nedocromil High-priority: Binding assay melatonin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nedocromil (Jaccard=0.25) desogestrel head_and_neck_cancer GAP_HIGH 0.1398 0.23076923076923078 cortisone_acetate High-priority: Binding assay desogestrel→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.23) colchicine peripheral_nervous_system_neoplasm GAP_HIGH 0.1398 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine urinary_bladder_cancer GAP_HIGH 0.1398 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in urinary_bladder_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) moexipril crohns_disease GAP_HIGH 0.1398 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in crohns_disease cell model. Expected: similar to cyclandelate (Jaccard=0.20) amlodipine melanoma GAP_HIGH 0.1398 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) isradipine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1398 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to metolazone (Jaccard=0.17) eprosartan vaginal_cancer GAP_LOW 0.1398 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs vaginal_cancer targets. Cross-check eprosartan pharmacophore against vaginal_cancer pathway. eprosartan vulva_cancer GAP_LOW 0.1398 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs vulva_cancer targets. Cross-check eprosartan pharmacophore against vulva_cancer pathway. l-ornithine salivary_gland_cancer GAP_LOW 0.1398 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs salivary_gland_cancer targets. Cross-check l-ornithine pharmacophore against salivary_gland_cancer pathway. dinoprostone brain_cancer GAP_LOW 0.1398 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs brain_cancer targets. Cross-check dinoprostone pharmacophore against brain_cancer pathway. dinoprostone intracranial_aneurysm GAP_LOW 0.1398 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs intracranial_aneurysm targets. Cross-check dinoprostone pharmacophore against intracranial_aneurysm pathway. l-ornithine refractive_error GAP_LOW 0.1398 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs refractive_error targets. Cross-check l-ornithine pharmacophore against refractive_error pathway. riboflavin duodenum_cancer GAP_LOW 0.1398 0.1 epirubicin Low-priority: Computational docking riboflavin vs duodenum_cancer targets. Cross-check riboflavin pharmacophore against duodenum_cancer pathway. riboflavin gallbladder_cancer GAP_LOW 0.1398 0.1 epirubicin Low-priority: Computational docking riboflavin vs gallbladder_cancer targets. Cross-check riboflavin pharmacophore against gallbladder_cancer pathway. riboflavin melanoma GAP_LOW 0.1398 0.1 epirubicin Low-priority: Computational docking riboflavin vs melanoma targets. Cross-check riboflavin pharmacophore against melanoma pathway. aprobarbital nephrolithiasis GAP_LOW 0.1398 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs nephrolithiasis targets. Cross-check aprobarbital pharmacophore against nephrolithiasis pathway. butethal nephrolithiasis GAP_LOW 0.1398 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs nephrolithiasis targets. Cross-check butethal pharmacophore against nephrolithiasis pathway. flutamide atherosclerosis GAP_LOW 0.1398 0.07142857142857142 pargyline Low-priority: Computational docking flutamide vs atherosclerosis targets. Cross-check flutamide pharmacophore against atherosclerosis pathway. olmesartan lymphatic_system_cancer GAP_LOW 0.1398 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs lymphatic_system_cancer targets. Cross-check olmesartan pharmacophore against lymphatic_system_cancer pathway. papaverine dilated_cardiomyopathy GAP_LOW 0.1398 0.0625 trandolapril Low-priority: Computational docking papaverine vs dilated_cardiomyopathy targets. Cross-check papaverine pharmacophore against dilated_cardiomyopathy pathway. succinic_acid pancreatitis GAP_LOW 0.1398 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs pancreatitis targets. Cross-check succinic_acid pharmacophore against pancreatitis pathway. l-cystine idiopathic_pulmonary_fibrosis GAP_LOW 0.1398 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs idiopathic_pulmonary_fibrosis targets. Cross-check l-cystine pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-cystine refractive_error GAP_LOW 0.1398 0.024390243902439025 l-histidine Low-priority: Computational docking l-cystine vs refractive_error targets. Cross-check l-cystine pharmacophore against refractive_error pathway. dimetacrine prostate_cancer GAP_HIGH 0.1397 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in prostate_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) testosterone_propionate thymus_cancer GAP_HIGH 0.1397 0.42105263157894735 medrysone High-priority: Binding assay testosterone_propionate→?; validate in thymus_cancer cell model. Expected: similar to medrysone (Jaccard=0.42) acetophenazine vascular_cancer GAP_HIGH 0.1397 0.4 mequitazine High-priority: Binding assay acetophenazine→?; validate in vascular_cancer cell model. Expected: similar to mequitazine (Jaccard=0.40) mestranol pharynx_cancer GAP_HIGH 0.1397 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in pharynx_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) dimetindene urinary_bladder_cancer GAP_HIGH 0.1397 0.3 aprindine High-priority: Binding assay dimetindene→?; validate in urinary_bladder_cancer cell model. Expected: similar to aprindine (Jaccard=0.30) pirbuterol urinary_bladder_cancer GAP_HIGH 0.1397 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) tolazoline testicular_cancer GAP_HIGH 0.1397 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) tolazoline vaginal_cancer GAP_HIGH 0.1397 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) tolazoline vulva_cancer GAP_HIGH 0.1397 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) dapsone nephrolithiasis GAP_HIGH 0.1397 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.23) dapsone refractive_error GAP_HIGH 0.1397 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.23) dobutamine esophageal_cancer GAP_HIGH 0.1397 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.22) testosterone dilated_cardiomyopathy GAP_HIGH 0.1397 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to drospirenone (Jaccard=0.22) methyclothiazide pancreatitis GAP_HIGH 0.1397 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in pancreatitis cell model. Expected: similar to etoricoxib (Jaccard=0.21) diclofenamide panic_disorder GAP_HIGH 0.1397 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in panic_disorder cell model. Expected: similar to pimozide (Jaccard=0.20) amlodipine osteoarthritis GAP_HIGH 0.1397 0.18181818181818182 difenoxin High-priority: Binding assay amlodipine→?; validate in osteoarthritis cell model. Expected: similar to difenoxin (Jaccard=0.18) dienestrol atherosclerosis GAP_HIGH 0.1397 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in atherosclerosis cell model. Expected: similar to mesalazine (Jaccard=0.18) tropicamide sarcoma GAP_HIGH 0.1397 0.18181818181818182 fenoprofen High-priority: Binding assay tropicamide→?; validate in sarcoma cell model. Expected: similar to fenoprofen (Jaccard=0.18) lercanidipine pancreatic_cancer GAP_HIGH 0.1397 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in pancreatic_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) lercanidipine stomach_cancer GAP_HIGH 0.1397 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in stomach_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) dinoprostone rectum_cancer GAP_LOW 0.1397 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs rectum_cancer targets. Cross-check dinoprostone pharmacophore against rectum_cancer pathway. eprosartan testicular_cancer GAP_LOW 0.1397 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs testicular_cancer targets. Cross-check eprosartan pharmacophore against testicular_cancer pathway. estropipate narcolepsy GAP_LOW 0.1397 0.14285714285714285 l-tryptophan Low-priority: Computational docking estropipate vs narcolepsy targets. Cross-check estropipate pharmacophore against narcolepsy pathway. pasireotide vaginal_cancer GAP_LOW 0.1397 0.14285714285714285 vismodegib Low-priority: Computational docking pasireotide vs vaginal_cancer targets. Cross-check pasireotide pharmacophore against vaginal_cancer pathway. l-ornithine muscle_cancer GAP_LOW 0.1397 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs muscle_cancer targets. Cross-check l-ornithine pharmacophore against muscle_cancer pathway. dihomo-gamma-linolenic_acid sclerosing_cholangitis GAP_LOW 0.1397 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs sclerosing_cholangitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against sclerosing_cholangitis pathway. dihomo-gamma-linolenic_acid malignant_mesothelioma GAP_LOW 0.1397 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs malignant_mesothelioma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against malignant_mesothelioma pathway. dextropropoxyphene kidney_cancer GAP_LOW 0.1397 0.09090909090909091 voacamine Low-priority: Computational docking dextropropoxyphene vs kidney_cancer targets. Cross-check dextropropoxyphene pharmacophore against kidney_cancer pathway. tauroursodeoxycholic_acid bipolar_disorder GAP_LOW 0.1397 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs bipolar_disorder targets. Cross-check tauroursodeoxycholic_acid pharmacophore against bipolar_disorder pathway. l-cystine prostate_cancer GAP_LOW 0.1397 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs prostate_cancer targets. Cross-check l-cystine pharmacophore against prostate_cancer pathway. acenocoumarol hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking acenocoumarol vs hypothyroidism targets. Cross-check acenocoumarol pharmacophore against hypothyroidism pathway. adenosine_monophosphate hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking adenosine_monophosphate vs hypothyroidism targets. Cross-check adenosine_monophosphate pharmacophore against hypothyroidism pathway. amoxapine hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking amoxapine vs hypothyroidism targets. Cross-check amoxapine pharmacophore against hypothyroidism pathway. mepyramine hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking mepyramine vs hypothyroidism targets. Cross-check mepyramine pharmacophore against hypothyroidism pathway. pralatrexate hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking pralatrexate vs hypothyroidism targets. Cross-check pralatrexate pharmacophore against hypothyroidism pathway. tripelennamine hypothyroidism GAP_LOW 0.1397 0.0 methimazole Low-priority: Computational docking tripelennamine vs hypothyroidism targets. Cross-check tripelennamine pharmacophore against hypothyroidism pathway. clofedanol meningioma GAP_HIGH 0.1396 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.53) diphenhydramine malignant_mesothelioma GAP_HIGH 0.1396 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in malignant_mesothelioma cell model. Expected: similar to clofedanol (Jaccard=0.53) chlordiazepoxide uterine_fibroid GAP_HIGH 0.1396 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in uterine_fibroid cell model. Expected: similar to loxapine (Jaccard=0.46) oxazepam testicular_cancer GAP_HIGH 0.1396 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in testicular_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) oxazepam vaginal_cancer GAP_HIGH 0.1396 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in vaginal_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) oxazepam vulva_cancer GAP_HIGH 0.1396 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in vulva_cancer cell model. Expected: similar to cyclizine (Jaccard=0.36) oxazepam prostate_cancer GAP_HIGH 0.1396 0.3333333333333333 pirenzepine High-priority: Binding assay oxazepam→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.33) cinolazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1396 0.2631578947368421 chlorprothixene High-priority: Binding assay cinolazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.26) flurazepam penile_cancer GAP_HIGH 0.1396 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in penile_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) chlorpropamide uterine_fibroid GAP_HIGH 0.1396 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in uterine_fibroid cell model. Expected: similar to bezafibrate (Jaccard=0.26) diphenidol focal_segmental_glomerulosclerosis GAP_HIGH 0.1396 0.25 promethazine High-priority: Binding assay diphenidol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.25) pirbuterol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1396 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to levonordefrin (Jaccard=0.25) tolazoline vascular_cancer GAP_HIGH 0.1396 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.25) clozapine leprosy GAP_HIGH 0.1396 0.23809523809523808 phensuximide High-priority: Binding assay clozapine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.24) adinazolam gout GAP_HIGH 0.1396 0.23076923076923078 diazepam High-priority: Binding assay adinazolam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.23) diclofenamide asthma GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in asthma cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide atopic_dermatitis GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in atopic_dermatitis cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide breast_cancer GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in breast_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide colon_cancer GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide conduct_disorder GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in conduct_disorder cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide schizophrenia GAP_HIGH 0.1396 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in schizophrenia cell model. Expected: similar to pimozide (Jaccard=0.20) dopamine kidney_cancer GAP_HIGH 0.1396 0.2 histamine_phosphate High-priority: Binding assay dopamine→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) mephentermine uterine_cancer GAP_HIGH 0.1396 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in uterine_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol meningioma GAP_HIGH 0.1396 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in meningioma cell model. Expected: similar to topotecan (Jaccard=0.20) tropicamide meningioma GAP_HIGH 0.1396 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.17) eprosartan vascular_cancer GAP_LOW 0.1396 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs vascular_cancer targets. Cross-check eprosartan pharmacophore against vascular_cancer pathway. tolazamide glaucoma GAP_LOW 0.1396 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs glaucoma targets. Cross-check tolazamide pharmacophore against glaucoma pathway. difenoxin leprosy GAP_LOW 0.1396 0.13333333333333333 phenmetrazine Low-priority: Computational docking difenoxin vs leprosy targets. Cross-check difenoxin pharmacophore against leprosy pathway. methylphenobarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1396 0.125 diphenhydramine Low-priority: Computational docking methylphenobarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check methylphenobarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. dextropropoxyphene nephrolithiasis GAP_LOW 0.1396 0.09090909090909091 voacamine Low-priority: Computational docking dextropropoxyphene vs nephrolithiasis targets. Cross-check dextropropoxyphene pharmacophore against nephrolithiasis pathway. tauroursodeoxycholic_acid endogenous_depression GAP_LOW 0.1396 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs endogenous_depression targets. Cross-check tauroursodeoxycholic_acid pharmacophore against endogenous_depression pathway. tropicamide leprosy GAP_LOW 0.1396 0.06976744186046512 phensuximide Low-priority: Computational docking tropicamide vs leprosy targets. Cross-check tropicamide pharmacophore against leprosy pathway. gliclazide leprosy GAP_LOW 0.1396 0.06666666666666667 sulfapyridine Low-priority: Computational docking gliclazide vs leprosy targets. Cross-check gliclazide pharmacophore against leprosy pathway. succinic_acid metabolic_syndrome_x GAP_LOW 0.1396 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs metabolic_syndrome_x targets. Cross-check succinic_acid pharmacophore against metabolic_syndrome_x pathway. dimetacrine urinary_bladder_cancer GAP_HIGH 0.1395 0.5185185185185185 diphenhydramine High-priority: Binding assay dimetacrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.52) dimetacrine mediastinal_cancer GAP_HIGH 0.1395 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in mediastinal_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) chloroprocaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1395 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.36) tripelennamine ulcerative_colitis GAP_HIGH 0.1395 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in ulcerative_colitis cell model. Expected: similar to alimemazine (Jaccard=0.33) tripelennamine uterine_cancer GAP_HIGH 0.1395 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in uterine_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) ketorolac celiac_disease GAP_HIGH 0.1395 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.31) naloxone larynx_cancer GAP_HIGH 0.1395 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) methyclothiazide muscle_cancer GAP_HIGH 0.1395 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in muscle_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) diclofenamide allergic_rhinitis GAP_HIGH 0.1395 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in allergic_rhinitis cell model. Expected: similar to pimozide (Jaccard=0.20) diclofenamide bipolar_disorder GAP_HIGH 0.1395 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in bipolar_disorder cell model. Expected: similar to pimozide (Jaccard=0.20) milnacipran esophageal_cancer GAP_HIGH 0.1395 0.2 tamoxifen High-priority: Binding assay milnacipran→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) amphetamine colon_cancer GAP_HIGH 0.1395 0.18181818181818182 phenoxybenzamine High-priority: Binding assay amphetamine→?; validate in colon_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.18) streptozocin primary_biliary_cirrhosis GAP_HIGH 0.1395 0.15789473684210525 vidarabine High-priority: Binding assay streptozocin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vidarabine (Jaccard=0.16) emtricitabine type_1_diabetes_mellitus GAP_LOW 0.1395 0.125 tioguanine Low-priority: Computational docking emtricitabine vs type_1_diabetes_mellitus targets. Cross-check emtricitabine pharmacophore against type_1_diabetes_mellitus pathway. eprosartan primary_biliary_cirrhosis GAP_LOW 0.1395 0.125 alvimopan Low-priority: Computational docking eprosartan vs primary_biliary_cirrhosis targets. Cross-check eprosartan pharmacophore against primary_biliary_cirrhosis pathway. irbesartan panic_disorder GAP_LOW 0.1395 0.125 naloxone Low-priority: Computational docking irbesartan vs panic_disorder targets. Cross-check irbesartan pharmacophore against panic_disorder pathway. irbesartan schizophrenia GAP_LOW 0.1395 0.125 naloxone Low-priority: Computational docking irbesartan vs schizophrenia targets. Cross-check irbesartan pharmacophore against schizophrenia pathway. spirapril chronic_obstructive_pulmonary_disease GAP_LOW 0.1395 0.125 imipramine Low-priority: Computational docking spirapril vs chronic_obstructive_pulmonary_disease targets. Cross-check spirapril pharmacophore against chronic_obstructive_pulmonary_disease pathway. aminoglutethimide germ_cell_cancer GAP_LOW 0.1395 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs germ_cell_cancer targets. Cross-check aminoglutethimide pharmacophore against germ_cell_cancer pathway. riboflavin sclerosing_cholangitis GAP_LOW 0.1395 0.1 epirubicin Low-priority: Computational docking riboflavin vs sclerosing_cholangitis targets. Cross-check riboflavin pharmacophore against sclerosing_cholangitis pathway. talbutal ankylosing_spondylitis GAP_LOW 0.1395 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs ankylosing_spondylitis targets. Cross-check talbutal pharmacophore against ankylosing_spondylitis pathway. tauroursodeoxycholic_acid migraine GAP_LOW 0.1395 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs migraine targets. Cross-check tauroursodeoxycholic_acid pharmacophore against migraine pathway. tauroursodeoxycholic_acid multiple_sclerosis GAP_LOW 0.1395 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs multiple_sclerosis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against multiple_sclerosis pathway. glimepiride malaria GAP_LOW 0.1395 0.0625 pentobarbital Low-priority: Computational docking glimepiride vs malaria targets. Cross-check glimepiride pharmacophore against malaria pathway. talbutal atherosclerosis GAP_LOW 0.1395 0.043478260869565216 bezafibrate Low-priority: Computational docking talbutal vs atherosclerosis targets. Cross-check talbutal pharmacophore against atherosclerosis pathway. l-cystine gout GAP_LOW 0.1395 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs gout targets. Cross-check l-cystine pharmacophore against gout pathway. l-cystine mediastinal_cancer GAP_LOW 0.1395 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs mediastinal_cancer targets. Cross-check l-cystine pharmacophore against mediastinal_cancer pathway. l-cystine primary_biliary_cirrhosis GAP_LOW 0.1395 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs primary_biliary_cirrhosis targets. Cross-check l-cystine pharmacophore against primary_biliary_cirrhosis pathway. aminolevulinic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1395 0.01098901098901099 adenosine_monophosphate Low-priority: Computational docking aminolevulinic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check aminolevulinic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. dimetacrine primary_biliary_cirrhosis GAP_HIGH 0.1394 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.50) promethazine crohns_disease GAP_HIGH 0.1394 0.5 benzatropine High-priority: Binding assay promethazine→?; validate in crohns_disease cell model. Expected: similar to benzatropine (Jaccard=0.50) clomipramine atherosclerosis GAP_HIGH 0.1394 0.45454545454545453 flurbiprofen High-priority: Binding assay clomipramine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.45) naproxen lung_cancer GAP_HIGH 0.1394 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.41) propiomazine pancreatitis GAP_HIGH 0.1394 0.4 mepenzolate High-priority: Binding assay propiomazine→?; validate in pancreatitis cell model. Expected: similar to mepenzolate (Jaccard=0.40) sunitinib osteoarthritis GAP_HIGH 0.1394 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.40) loxapine malaria GAP_HIGH 0.1394 0.36363636363636365 heptabarbital High-priority: Binding assay loxapine→?; validate in malaria cell model. Expected: similar to heptabarbital (Jaccard=0.36) chloroprocaine epilepsy_syndrome GAP_HIGH 0.1394 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in epilepsy_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.36) antazoline vulva_cancer GAP_HIGH 0.1394 0.3333333333333333 tamoxifen High-priority: Binding assay antazoline→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) loteprednol restless_legs_syndrome GAP_HIGH 0.1394 0.3333333333333333 homatropine_methylbromide High-priority: Binding assay loteprednol→?; validate in restless_legs_syndrome cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.33) probenecid type_1_diabetes_mellitus GAP_HIGH 0.1394 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.29) floxuridine germ_cell_cancer GAP_HIGH 0.1394 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) medroxyprogesterone_acetate larynx_cancer GAP_HIGH 0.1394 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) pirbuterol panic_disorder GAP_HIGH 0.1394 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol schizophrenia GAP_HIGH 0.1394 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.25) melatonin azoospermia GAP_HIGH 0.1394 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in azoospermia cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) methyclothiazide lung_cancer GAP_HIGH 0.1394 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide rectum_cancer GAP_HIGH 0.1394 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) diclofenamide endogenous_depression GAP_HIGH 0.1394 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in endogenous_depression cell model. Expected: similar to pimozide (Jaccard=0.20) etidronic_acid polycystic_ovary_syndrome GAP_HIGH 0.1394 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) etidronic_acid restless_legs_syndrome GAP_HIGH 0.1394 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in restless_legs_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) etidronic_acid type_2_diabetes_mellitus GAP_HIGH 0.1394 0.2 metolazone High-priority: Binding assay etidronic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to metolazone (Jaccard=0.20) moexipril idiopathic_pulmonary_fibrosis GAP_HIGH 0.1394 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cyclandelate (Jaccard=0.20) remifentanil vaginal_cancer GAP_HIGH 0.1394 0.2 tamoxifen High-priority: Binding assay remifentanil→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) remifentanil vulva_cancer GAP_HIGH 0.1394 0.2 tamoxifen High-priority: Binding assay remifentanil→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) zolpidem primary_biliary_cirrhosis GAP_HIGH 0.1394 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.20) pirbuterol atherosclerosis GAP_HIGH 0.1394 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in atherosclerosis cell model. Expected: similar to methyldopa (Jaccard=0.19) amphetamine coronary_artery_disease GAP_HIGH 0.1394 0.16666666666666666 anisindione High-priority: Binding assay amphetamine→?; validate in coronary_artery_disease cell model. Expected: similar to anisindione (Jaccard=0.17) lercanidipine sarcoma GAP_HIGH 0.1394 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in sarcoma cell model. Expected: similar to proparacaine (Jaccard=0.17) aciclovir gout GAP_LOW 0.1394 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs gout targets. Cross-check aciclovir pharmacophore against gout pathway. atenolol gestational_diabetes GAP_LOW 0.1394 0.14285714285714285 gliquidone Low-priority: Computational docking atenolol vs gestational_diabetes targets. Cross-check atenolol pharmacophore against gestational_diabetes pathway. l-ornithine alzheimers_disease GAP_LOW 0.1394 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs alzheimers_disease targets. Cross-check l-ornithine pharmacophore against alzheimers_disease pathway. l-ornithine parkinsons_disease GAP_LOW 0.1394 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs parkinsons_disease targets. Cross-check l-ornithine pharmacophore against parkinsons_disease pathway. trimethoprim alzheimers_disease GAP_LOW 0.1394 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs alzheimers_disease targets. Cross-check trimethoprim pharmacophore against alzheimers_disease pathway. irbesartan conduct_disorder GAP_LOW 0.1394 0.125 naloxone Low-priority: Computational docking irbesartan vs conduct_disorder targets. Cross-check irbesartan pharmacophore against conduct_disorder pathway. candesartan glaucoma GAP_LOW 0.1394 0.1 pirbuterol Low-priority: Computational docking candesartan vs glaucoma targets. Cross-check candesartan pharmacophore against glaucoma pathway. dinoprostone alopecia_areata GAP_LOW 0.1394 0.1 cyproterone_acetate Low-priority: Computational docking dinoprostone vs alopecia_areata targets. Cross-check dinoprostone pharmacophore against alopecia_areata pathway. calcium_acetate type_1_diabetes_mellitus GAP_LOW 0.1394 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs type_1_diabetes_mellitus targets. Cross-check calcium_acetate pharmacophore against type_1_diabetes_mellitus pathway. sodium_tetradecyl_sulfate restless_legs_syndrome GAP_LOW 0.1394 0.07142857142857142 floctafenine Low-priority: Computational docking sodium_tetradecyl_sulfate vs restless_legs_syndrome targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against restless_legs_syndrome pathway. valsartan malaria GAP_LOW 0.1394 0.07142857142857142 sulfamethizole Low-priority: Computational docking valsartan vs malaria targets. Cross-check valsartan pharmacophore against malaria pathway. amobarbital celiac_disease GAP_LOW 0.1394 0.06896551724137931 pseudoephedrine Low-priority: Computational docking amobarbital vs celiac_disease targets. Cross-check amobarbital pharmacophore against celiac_disease pathway. succinic_acid gout GAP_LOW 0.1394 0.04 medrysone Low-priority: Computational docking succinic_acid vs gout targets. Cross-check succinic_acid pharmacophore against gout pathway. succinic_acid primary_biliary_cirrhosis GAP_LOW 0.1394 0.04 medrysone Low-priority: Computational docking succinic_acid vs primary_biliary_cirrhosis targets. Cross-check succinic_acid pharmacophore against primary_biliary_cirrhosis pathway. l-cystine thymus_cancer GAP_LOW 0.1394 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs thymus_cancer targets. Cross-check l-cystine pharmacophore against thymus_cancer pathway. l-cystine crohns_disease GAP_LOW 0.1394 0.03571428571428571 clocortolone Low-priority: Computational docking l-cystine vs crohns_disease targets. Cross-check l-cystine pharmacophore against crohns_disease pathway. codeine pagets_disease_of_bone GAP_LOW 0.1394 0.0 ibandronate Low-priority: Computational docking codeine vs pagets_disease_of_bone targets. Cross-check codeine pharmacophore against pagets_disease_of_bone pathway. cytarabine pagets_disease_of_bone GAP_LOW 0.1394 0.0 ibandronate Low-priority: Computational docking cytarabine vs pagets_disease_of_bone targets. Cross-check cytarabine pharmacophore against pagets_disease_of_bone pathway. diphenylpyraline barretts_esophagus GAP_LOW 0.1394 0.0 pantoprazole Low-priority: Computational docking diphenylpyraline vs barretts_esophagus targets. Cross-check diphenylpyraline pharmacophore against barretts_esophagus pathway. tamsulosin pagets_disease_of_bone GAP_LOW 0.1394 0.0 ibandronate Low-priority: Computational docking tamsulosin vs pagets_disease_of_bone targets. Cross-check tamsulosin pharmacophore against pagets_disease_of_bone pathway. thalidomide pagets_disease_of_bone GAP_LOW 0.1394 0.0 ibandronate Low-priority: Computational docking thalidomide vs pagets_disease_of_bone targets. Cross-check thalidomide pharmacophore against pagets_disease_of_bone pathway. toremifene barretts_esophagus GAP_LOW 0.1394 0.0 pantoprazole Low-priority: Computational docking toremifene vs barretts_esophagus targets. Cross-check toremifene pharmacophore against barretts_esophagus pathway. zafirlukast pagets_disease_of_bone GAP_LOW 0.1394 0.0 ibandronate Low-priority: Computational docking zafirlukast vs pagets_disease_of_bone targets. Cross-check zafirlukast pharmacophore against pagets_disease_of_bone pathway. dimetacrine thymus_cancer GAP_HIGH 0.1393 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in thymus_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) chlordiazepoxide polycystic_ovary_syndrome GAP_HIGH 0.1393 0.46153846153846156 loxapine High-priority: Binding assay chlordiazepoxide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loxapine (Jaccard=0.46) clomipramine malaria GAP_HIGH 0.1393 0.4583333333333333 butabarbital High-priority: Binding assay clomipramine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.46) propafenone coronary_artery_disease GAP_HIGH 0.1393 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.39) oxaprozin malaria GAP_HIGH 0.1393 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in malaria cell model. Expected: similar to phenytoin (Jaccard=0.38) phentermine uterine_cancer GAP_HIGH 0.1393 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) masoprocol penile_cancer GAP_HIGH 0.1393 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) midazolam psoriasis GAP_HIGH 0.1393 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in psoriasis cell model. Expected: similar to nitrazepam (Jaccard=0.38) vismodegib epilepsy_syndrome GAP_HIGH 0.1393 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in epilepsy_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.38) alverine prostate_cancer GAP_HIGH 0.1393 0.35714285714285715 isopropamide High-priority: Binding assay alverine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) cinolazepam testicular_cancer GAP_HIGH 0.1393 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in testicular_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) cinolazepam vaginal_cancer GAP_HIGH 0.1393 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) cinolazepam vulva_cancer GAP_HIGH 0.1393 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.31) alvimopan hematologic_cancer GAP_HIGH 0.1393 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) alvimopan narcolepsy GAP_HIGH 0.1393 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.29) chlorpropamide restless_legs_syndrome GAP_HIGH 0.1393 0.25925925925925924 bezafibrate High-priority: Binding assay chlorpropamide→?; validate in restless_legs_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.26) l-phenylalanine gilles_de_la_tourette_syndrome GAP_HIGH 0.1393 0.25 remifentanil High-priority: Binding assay l-phenylalanine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.25) pirbuterol colon_cancer GAP_HIGH 0.1393 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in colon_cancer cell model. Expected: similar to levonordefrin (Jaccard=0.25) pirbuterol conduct_disorder GAP_HIGH 0.1393 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) tolazoline uterine_fibroid GAP_HIGH 0.1393 0.25 lacosamide High-priority: Binding assay tolazoline→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.25) chlorthalidone hematologic_cancer GAP_HIGH 0.1393 0.2413793103448276 flurbiprofen High-priority: Binding assay chlorthalidone→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.24) phenylephrine type_1_diabetes_mellitus GAP_HIGH 0.1393 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.22) methyclothiazide liver_cancer GAP_HIGH 0.1393 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine breast_cancer GAP_HIGH 0.1393 0.2 vincristine High-priority: Binding assay colchicine→?; validate in breast_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) colchicine stomach_cancer GAP_HIGH 0.1393 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in stomach_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) diclofenamide ovarian_cancer GAP_HIGH 0.1393 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.20) isradipine bipolar_disorder GAP_HIGH 0.1393 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in bipolar_disorder cell model. Expected: similar to metolazone (Jaccard=0.17) l-aspartic_acid salivary_gland_cancer GAP_HIGH 0.1393 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) cilazapril lung_cancer GAP_LOW 0.1393 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs lung_cancer targets. Cross-check cilazapril pharmacophore against lung_cancer pathway. eprosartan uterine_fibroid GAP_LOW 0.1393 0.14285714285714285 aspartame Low-priority: Computational docking eprosartan vs uterine_fibroid targets. Cross-check eprosartan pharmacophore against uterine_fibroid pathway. remifentanil atherosclerosis GAP_LOW 0.1393 0.14285714285714285 warfarin Low-priority: Computational docking remifentanil vs atherosclerosis targets. Cross-check remifentanil pharmacophore against atherosclerosis pathway. tolazamide intracranial_aneurysm GAP_LOW 0.1393 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs intracranial_aneurysm targets. Cross-check tolazamide pharmacophore against intracranial_aneurysm pathway. l-ornithine amyotrophic_lateral_sclerosis GAP_LOW 0.1393 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs amyotrophic_lateral_sclerosis targets. Cross-check l-ornithine pharmacophore against amyotrophic_lateral_sclerosis pathway. methylphenobarbital pharynx_cancer GAP_LOW 0.1393 0.13333333333333333 diphenylpyraline Low-priority: Computational docking methylphenobarbital vs pharynx_cancer targets. Cross-check methylphenobarbital pharmacophore against pharynx_cancer pathway. trimethoprim parkinsons_disease GAP_LOW 0.1393 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs parkinsons_disease targets. Cross-check trimethoprim pharmacophore against parkinsons_disease pathway. conivaptan muscle_cancer GAP_LOW 0.1393 0.125 tenofovir Low-priority: Computational docking conivaptan vs muscle_cancer targets. Cross-check conivaptan pharmacophore against muscle_cancer pathway. irbesartan bipolar_disorder GAP_LOW 0.1393 0.125 naloxone Low-priority: Computational docking irbesartan vs bipolar_disorder targets. Cross-check irbesartan pharmacophore against bipolar_disorder pathway. isradipine gilles_de_la_tourette_syndrome GAP_LOW 0.1393 0.125 flunarizine Low-priority: Computational docking isradipine vs gilles_de_la_tourette_syndrome targets. Cross-check isradipine pharmacophore against gilles_de_la_tourette_syndrome pathway. nelarabine brain_cancer GAP_LOW 0.1393 0.125 methotrexate Low-priority: Computational docking nelarabine vs brain_cancer targets. Cross-check nelarabine pharmacophore against brain_cancer pathway. nelarabine intracranial_aneurysm GAP_LOW 0.1393 0.125 methotrexate Low-priority: Computational docking nelarabine vs intracranial_aneurysm targets. Cross-check nelarabine pharmacophore against intracranial_aneurysm pathway. trimethoprim creutzfeldt-jakob_disease GAP_LOW 0.1393 0.125 cyproheptadine Low-priority: Computational docking trimethoprim vs creutzfeldt-jakob_disease targets. Cross-check trimethoprim pharmacophore against creutzfeldt-jakob_disease pathway. amiloride coronary_artery_disease GAP_LOW 0.1393 0.1111111111111111 progesterone Low-priority: Computational docking amiloride vs coronary_artery_disease targets. Cross-check amiloride pharmacophore against coronary_artery_disease pathway. amiloride hematologic_cancer GAP_LOW 0.1393 0.1111111111111111 progesterone Low-priority: Computational docking amiloride vs hematologic_cancer targets. Cross-check amiloride pharmacophore against hematologic_cancer pathway. amiloride narcolepsy GAP_LOW 0.1393 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking amiloride vs narcolepsy targets. Cross-check amiloride pharmacophore against narcolepsy pathway. dihomo-gamma-linolenic_acid ankylosing_spondylitis GAP_LOW 0.1393 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs ankylosing_spondylitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against ankylosing_spondylitis pathway. glimepiride muscle_cancer GAP_LOW 0.1393 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs muscle_cancer targets. Cross-check glimepiride pharmacophore against muscle_cancer pathway. irbesartan narcolepsy GAP_LOW 0.1393 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs narcolepsy targets. Cross-check irbesartan pharmacophore against narcolepsy pathway. talbutal chronic_obstructive_pulmonary_disease GAP_LOW 0.1393 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs chronic_obstructive_pulmonary_disease targets. Cross-check talbutal pharmacophore against chronic_obstructive_pulmonary_disease pathway. caffeine prostate_cancer GAP_LOW 0.1393 0.09090909090909091 podofilox Low-priority: Computational docking caffeine vs prostate_cancer targets. Cross-check caffeine pharmacophore against prostate_cancer pathway. amobarbital meningioma GAP_LOW 0.1393 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs meningioma targets. Cross-check amobarbital pharmacophore against meningioma pathway. methylphenobarbital larynx_cancer GAP_LOW 0.1393 0.08333333333333333 pantoprazole Low-priority: Computational docking methylphenobarbital vs larynx_cancer targets. Cross-check methylphenobarbital pharmacophore against larynx_cancer pathway. succinic_acid melanoma GAP_LOW 0.1393 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs melanoma targets. Cross-check succinic_acid pharmacophore against melanoma pathway. dimetacrine hematologic_cancer GAP_HIGH 0.1392 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in hematologic_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) phentermine sarcoma GAP_HIGH 0.1392 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.38) oxazepam uterine_fibroid GAP_HIGH 0.1392 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in uterine_fibroid cell model. Expected: similar to cyclizine (Jaccard=0.36) eplerenone type_1_diabetes_mellitus GAP_HIGH 0.1392 0.2857142857142857 exemestane High-priority: Binding assay eplerenone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.29) levonorgestrel malignant_mesothelioma GAP_HIGH 0.1392 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) isocarboxazid primary_biliary_cirrhosis GAP_HIGH 0.1392 0.25 mitiglinide High-priority: Binding assay isocarboxazid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.25) pirbuterol bipolar_disorder GAP_HIGH 0.1392 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol stomach_cancer GAP_HIGH 0.1392 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) ephedrine membranous_glomerulonephritis GAP_HIGH 0.1392 0.21428571428571427 chlorthalidone High-priority: Binding assay ephedrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.21) epinephrine melanoma GAP_HIGH 0.1392 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in melanoma cell model. Expected: similar to olsalazine (Jaccard=0.21) colchicine pancreatic_cancer GAP_HIGH 0.1392 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in pancreatic_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) diclofenamide migraine GAP_HIGH 0.1392 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in migraine cell model. Expected: similar to pimozide (Jaccard=0.20) l-arginine migraine GAP_HIGH 0.1392 0.18181818181818182 trimethoprim High-priority: Binding assay l-arginine→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.18) adenosine larynx_cancer GAP_HIGH 0.1392 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) l-aspartic_acid muscle_cancer GAP_HIGH 0.1392 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) amlodipine meningioma GAP_HIGH 0.1392 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.15) l-ornithine peripheral_nervous_system_neoplasm GAP_LOW 0.1392 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs peripheral_nervous_system_neoplasm targets. Cross-check l-ornithine pharmacophore against peripheral_nervous_system_neoplasm pathway. conivaptan lung_cancer GAP_LOW 0.1392 0.125 tenofovir Low-priority: Computational docking conivaptan vs lung_cancer targets. Cross-check conivaptan pharmacophore against lung_cancer pathway. conivaptan rectum_cancer GAP_LOW 0.1392 0.125 tenofovir Low-priority: Computational docking conivaptan vs rectum_cancer targets. Cross-check conivaptan pharmacophore against rectum_cancer pathway. irbesartan endogenous_depression GAP_LOW 0.1392 0.125 naloxone Low-priority: Computational docking irbesartan vs endogenous_depression targets. Cross-check irbesartan pharmacophore against endogenous_depression pathway. captopril atherosclerosis GAP_LOW 0.1392 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking captopril vs atherosclerosis targets. Cross-check captopril pharmacophore against atherosclerosis pathway. primidone celiac_disease GAP_LOW 0.1392 0.08 diphenylpyraline Low-priority: Computational docking primidone vs celiac_disease targets. Cross-check primidone pharmacophore against celiac_disease pathway. talbutal azoospermia GAP_LOW 0.1392 0.08 phenytoin Low-priority: Computational docking talbutal vs azoospermia targets. Cross-check talbutal pharmacophore against azoospermia pathway. succinic_acid obesity GAP_LOW 0.1392 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs obesity targets. Cross-check succinic_acid pharmacophore against obesity pathway. amodiaquine dilated_cardiomyopathy GAP_LOW 0.1392 0.05263157894736842 milrinone Low-priority: Computational docking amodiaquine vs dilated_cardiomyopathy targets. Cross-check amodiaquine pharmacophore against dilated_cardiomyopathy pathway. alimemazine vascular_cancer GAP_HIGH 0.1391 0.47058823529411764 dimetacrine High-priority: Binding assay alimemazine→?; validate in vascular_cancer cell model. Expected: similar to dimetacrine (Jaccard=0.47) alimemazine prostate_cancer GAP_HIGH 0.1391 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) naproxen nicotine_dependence GAP_HIGH 0.1391 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in nicotine_dependence cell model. Expected: similar to bromfenac (Jaccard=0.41) oxcarbazepine duodenum_cancer GAP_HIGH 0.1391 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) oxcarbazepine gallbladder_cancer GAP_HIGH 0.1391 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) brompheniramine prostate_cancer GAP_HIGH 0.1391 0.375 carbinoxamine High-priority: Binding assay brompheniramine→?; validate in prostate_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.38) mestranol pancreatitis GAP_HIGH 0.1391 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in pancreatitis cell model. Expected: similar to exemestane (Jaccard=0.33) mestranol salivary_gland_cancer GAP_HIGH 0.1391 0.3333333333333333 exemestane High-priority: Binding assay mestranol→?; validate in salivary_gland_cancer cell model. Expected: similar to exemestane (Jaccard=0.33) orphenadrine rectum_cancer GAP_HIGH 0.1391 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in rectum_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) oxazepam hematologic_cancer GAP_HIGH 0.1391 0.3333333333333333 pirenzepine High-priority: Binding assay oxazepam→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.33) phenytoin leprosy GAP_HIGH 0.1391 0.30612244897959184 phensuximide High-priority: Binding assay phenytoin→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.31) diethylpropion membranous_glomerulonephritis GAP_HIGH 0.1391 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.29) dapsone primary_biliary_cirrhosis GAP_HIGH 0.1391 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sulfapyridine (Jaccard=0.25) pirbuterol endogenous_depression GAP_HIGH 0.1391 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in endogenous_depression cell model. Expected: similar to levonordefrin (Jaccard=0.25) pirbuterol pancreatic_cancer GAP_HIGH 0.1391 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in pancreatic_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol ulcerative_colitis GAP_HIGH 0.1391 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in ulcerative_colitis cell model. Expected: similar to l-dopa (Jaccard=0.25) l-methionine vitiligo GAP_HIGH 0.1391 0.23529411764705882 l-histidine High-priority: Binding assay l-methionine→?; validate in vitiligo cell model. Expected: similar to l-histidine (Jaccard=0.24) dobutamine type_1_diabetes_mellitus GAP_HIGH 0.1391 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to mesalazine (Jaccard=0.22) epinephrine duodenum_cancer GAP_HIGH 0.1391 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in duodenum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) epinephrine gallbladder_cancer GAP_HIGH 0.1391 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in gallbladder_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) benzocaine glaucoma GAP_HIGH 0.1391 0.2 metaraminol High-priority: Binding assay benzocaine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) moexipril gout GAP_HIGH 0.1391 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in gout cell model. Expected: similar to cyclandelate (Jaccard=0.20) isradipine migraine GAP_HIGH 0.1391 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in migraine cell model. Expected: similar to metolazone (Jaccard=0.17) telbivudine breast_cancer GAP_HIGH 0.1391 0.15384615384615385 lamivudine High-priority: Binding assay telbivudine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.15) triamterene refractive_error GAP_LOW 0.1391 0.14285714285714285 choline Low-priority: Computational docking triamterene vs refractive_error targets. Cross-check triamterene pharmacophore against refractive_error pathway. conivaptan liver_cancer GAP_LOW 0.1391 0.125 tenofovir Low-priority: Computational docking conivaptan vs liver_cancer targets. Cross-check conivaptan pharmacophore against liver_cancer pathway. dihomo-gamma-linolenic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1391 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. oxyphenonium alcohol_dependence GAP_LOW 0.1391 0.07692307692307693 temazepam Low-priority: Computational docking oxyphenonium vs alcohol_dependence targets. Cross-check oxyphenonium pharmacophore against alcohol_dependence pathway. olmesartan malaria GAP_LOW 0.1391 0.07142857142857142 sulfamethizole Low-priority: Computational docking olmesartan vs malaria targets. Cross-check olmesartan pharmacophore against malaria pathway. primidone type_1_diabetes_mellitus GAP_LOW 0.1391 0.07142857142857142 exemestane Low-priority: Computational docking primidone vs type_1_diabetes_mellitus targets. Cross-check primidone pharmacophore against type_1_diabetes_mellitus pathway. doxycycline membranous_glomerulonephritis GAP_LOW 0.1391 0.05 propranolol Low-priority: Computational docking doxycycline vs membranous_glomerulonephritis targets. Cross-check doxycycline pharmacophore against membranous_glomerulonephritis pathway. masoprocol malignant_mesothelioma GAP_HIGH 0.139 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.38) midazolam systemic_lupus_erythematosus GAP_HIGH 0.139 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to nitrazepam (Jaccard=0.38) drostanolone psoriatic_arthritis GAP_HIGH 0.139 0.35 estradiol_valeratedienogest High-priority: Binding assay drostanolone→?; validate in psoriatic_arthritis cell model. Expected: similar to estradiol_valeratedienogest (Jaccard=0.35) podofilox esophageal_cancer GAP_HIGH 0.139 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in esophageal_cancer cell model. Expected: similar to epirubicin (Jaccard=0.29) pirbuterol migraine GAP_HIGH 0.139 0.25 l-dopa High-priority: Binding assay pirbuterol→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.25) pirbuterol multiple_sclerosis GAP_HIGH 0.139 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in multiple_sclerosis cell model. Expected: similar to levonordefrin (Jaccard=0.25) pirbuterol osteoporosis GAP_HIGH 0.139 0.25 metipranolol High-priority: Binding assay pirbuterol→?; validate in osteoporosis cell model. Expected: similar to metipranolol (Jaccard=0.25) ponatinib penile_cancer GAP_HIGH 0.139 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in penile_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) lisinopril gestational_diabetes GAP_HIGH 0.139 0.21428571428571427 sulpiride High-priority: Binding assay lisinopril→?; validate in gestational_diabetes cell model. Expected: similar to sulpiride (Jaccard=0.21) colchicine ovarian_cancer GAP_HIGH 0.139 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in ovarian_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine sarcoma GAP_HIGH 0.139 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in sarcoma cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine uterine_cancer GAP_HIGH 0.139 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in uterine_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) mephentermine testicular_cancer GAP_HIGH 0.139 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in testicular_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) mephentermine vaginal_cancer GAP_HIGH 0.139 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in vaginal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) mephentermine vulva_cancer GAP_HIGH 0.139 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in vulva_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) colchicine kidney_cancer GAP_HIGH 0.139 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) diclofenamide focal_segmental_glomerulosclerosis GAP_HIGH 0.139 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to indapamide (Jaccard=0.17) tropicamide kidney_cancer GAP_HIGH 0.139 0.15384615384615385 aminoglutethimide High-priority: Binding assay tropicamide→?; validate in kidney_cancer cell model. Expected: similar to aminoglutethimide (Jaccard=0.15) nisoldipine brain_cancer GAP_LOW 0.139 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs brain_cancer targets. Cross-check nisoldipine pharmacophore against brain_cancer pathway. nisoldipine intracranial_aneurysm GAP_LOW 0.139 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs intracranial_aneurysm targets. Cross-check nisoldipine pharmacophore against intracranial_aneurysm pathway. clofibrate alopecia_areata GAP_LOW 0.139 0.125 alclometasone Low-priority: Computational docking clofibrate vs alopecia_areata targets. Cross-check clofibrate pharmacophore against alopecia_areata pathway. dinoprostone head_and_neck_cancer GAP_LOW 0.139 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs head_and_neck_cancer targets. Cross-check dinoprostone pharmacophore against head_and_neck_cancer pathway. dinoprostone malignant_glioma GAP_LOW 0.139 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs malignant_glioma targets. Cross-check dinoprostone pharmacophore against malignant_glioma pathway. nicardipine focal_segmental_glomerulosclerosis GAP_LOW 0.139 0.1 naftifine Low-priority: Computational docking nicardipine vs focal_segmental_glomerulosclerosis targets. Cross-check nicardipine pharmacophore against focal_segmental_glomerulosclerosis pathway. heptabarbital penile_cancer GAP_LOW 0.139 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs penile_cancer targets. Cross-check heptabarbital pharmacophore against penile_cancer pathway. tauroursodeoxycholic_acid osteoarthritis GAP_LOW 0.139 0.09090909090909091 floctafenine Low-priority: Computational docking tauroursodeoxycholic_acid vs osteoarthritis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against osteoarthritis pathway. amobarbital refractive_error GAP_LOW 0.139 0.06666666666666667 chlorphenesin Low-priority: Computational docking amobarbital vs refractive_error targets. Cross-check amobarbital pharmacophore against refractive_error pathway. carboprost_tromethamine leprosy GAP_LOW 0.139 0.0 sulfapyridine Low-priority: Computational docking carboprost_tromethamine vs leprosy targets. Cross-check carboprost_tromethamine pharmacophore against leprosy pathway. conivaptan leprosy GAP_LOW 0.139 0.0 sulfapyridine Low-priority: Computational docking conivaptan vs leprosy targets. Cross-check conivaptan pharmacophore against leprosy pathway. epoprostenol leprosy GAP_LOW 0.139 0.0 sulfapyridine Low-priority: Computational docking epoprostenol vs leprosy targets. Cross-check epoprostenol pharmacophore against leprosy pathway. eprosartan leprosy GAP_LOW 0.139 0.0 sulfapyridine Low-priority: Computational docking eprosartan vs leprosy targets. Cross-check eprosartan pharmacophore against leprosy pathway. methadone barretts_esophagus GAP_LOW 0.139 0.0 pantoprazole Low-priority: Computational docking methadone vs barretts_esophagus targets. Cross-check methadone pharmacophore against barretts_esophagus pathway. tafluprost leprosy GAP_LOW 0.139 0.0 sulfapyridine Low-priority: Computational docking tafluprost vs leprosy targets. Cross-check tafluprost pharmacophore against leprosy pathway. alimemazine mediastinal_cancer GAP_HIGH 0.1389 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) midazolam metabolic_syndrome_x GAP_HIGH 0.1389 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in metabolic_syndrome_x cell model. Expected: similar to nitrazepam (Jaccard=0.38) orphenadrine liver_cancer GAP_HIGH 0.1389 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in liver_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) tripelennamine vaginal_cancer GAP_HIGH 0.1389 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in vaginal_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) tripelennamine vulva_cancer GAP_HIGH 0.1389 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in vulva_cancer cell model. Expected: similar to alimemazine (Jaccard=0.33) melatonin urinary_bladder_cancer GAP_HIGH 0.1389 0.25 clomifene High-priority: Binding assay melatonin→?; validate in urinary_bladder_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) pomalidomide glaucoma GAP_HIGH 0.1389 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) dienestrol esophageal_cancer GAP_HIGH 0.1389 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) mephentermine vascular_cancer GAP_HIGH 0.1389 0.2 topotecan High-priority: Binding assay mephentermine→?; validate in vascular_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) metaraminol prostate_cancer GAP_HIGH 0.1389 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in prostate_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) norepinephrine head_and_neck_cancer GAP_HIGH 0.1389 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) norepinephrine malignant_glioma GAP_HIGH 0.1389 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.20) danazol alcohol_dependence GAP_HIGH 0.1389 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.18) tioguanine creutzfeldt-jakob_disease GAP_HIGH 0.1389 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to moricizine (Jaccard=0.18) amlodipine thyroid_cancer GAP_HIGH 0.1389 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) lercanidipine testicular_cancer GAP_HIGH 0.1389 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in testicular_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) lercanidipine vaginal_cancer GAP_HIGH 0.1389 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in vaginal_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) l-aspartic_acid alzheimers_disease GAP_HIGH 0.1389 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid parkinsons_disease GAP_HIGH 0.1389 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in parkinsons_disease cell model. Expected: similar to l-serine (Jaccard=0.16) ibuprofen gout GAP_LOW 0.1389 0.14285714285714285 diclofenac Low-priority: Computational docking ibuprofen vs gout targets. Cross-check ibuprofen pharmacophore against gout pathway. treprostinil crohns_disease GAP_LOW 0.1389 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs crohns_disease targets. Cross-check treprostinil pharmacophore against crohns_disease pathway. flutamide ankylosing_spondylitis GAP_LOW 0.1389 0.125 cyproterone_acetate Low-priority: Computational docking flutamide vs ankylosing_spondylitis targets. Cross-check flutamide pharmacophore against ankylosing_spondylitis pathway. dinoprostone kidney_cancer GAP_LOW 0.1389 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs kidney_cancer targets. Cross-check dinoprostone pharmacophore against kidney_cancer pathway. losartan kidney_cancer GAP_LOW 0.1389 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs kidney_cancer targets. Cross-check losartan pharmacophore against kidney_cancer pathway. adinazolam leprosy GAP_LOW 0.1389 0.09523809523809523 phensuximide Low-priority: Computational docking adinazolam vs leprosy targets. Cross-check adinazolam pharmacophore against leprosy pathway. telbivudine bone_cancer GAP_LOW 0.1389 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking telbivudine vs bone_cancer targets. Cross-check telbivudine pharmacophore against bone_cancer pathway. caffeine azoospermia GAP_LOW 0.1389 0.07692307692307693 bevantolol Low-priority: Computational docking caffeine vs azoospermia targets. Cross-check caffeine pharmacophore against azoospermia pathway. promethazine mediastinal_cancer GAP_HIGH 0.1388 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) promethazine primary_biliary_cirrhosis GAP_HIGH 0.1388 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.50) alimemazine thymus_cancer GAP_HIGH 0.1388 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) atomoxetine prostate_cancer GAP_HIGH 0.1388 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) isoprenaline crohns_disease GAP_HIGH 0.1388 0.4 droxidopa High-priority: Binding assay isoprenaline→?; validate in crohns_disease cell model. Expected: similar to droxidopa (Jaccard=0.40) oxcarbazepine creutzfeldt-jakob_disease GAP_HIGH 0.1388 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clozapine (Jaccard=0.38) alverine hematologic_cancer GAP_HIGH 0.1388 0.35714285714285715 isopropamide High-priority: Binding assay alverine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.36) chloroprocaine alzheimers_disease GAP_HIGH 0.1388 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine parkinsons_disease GAP_HIGH 0.1388 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.36) oxazepam polycystic_ovary_syndrome GAP_HIGH 0.1388 0.35714285714285715 cyclizine High-priority: Binding assay oxazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to cyclizine (Jaccard=0.36) naproxen esophageal_cancer GAP_HIGH 0.1388 0.35 melphalan High-priority: Binding assay naproxen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.35) cinolazepam uterine_fibroid GAP_HIGH 0.1388 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.31) floxuridine penile_cancer GAP_HIGH 0.1388 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in penile_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) ziprasidone membranous_glomerulonephritis GAP_HIGH 0.1388 0.25 cholecalciferol High-priority: Binding assay ziprasidone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) amlodipine epilepsy_syndrome GAP_HIGH 0.1388 0.16666666666666666 aminophenazone High-priority: Binding assay amlodipine→?; validate in epilepsy_syndrome cell model. Expected: similar to aminophenazone (Jaccard=0.17) lercanidipine vascular_cancer GAP_HIGH 0.1388 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in vascular_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) l-aspartic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.1388 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.16) esmolol kidney_cancer GAP_LOW 0.1388 0.14285714285714285 tolazamide Low-priority: Computational docking esmolol vs kidney_cancer targets. Cross-check esmolol pharmacophore against kidney_cancer pathway. nelarabine ankylosing_spondylitis GAP_LOW 0.1388 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs ankylosing_spondylitis targets. Cross-check nelarabine pharmacophore against ankylosing_spondylitis pathway. glisoxepide vulva_cancer GAP_LOW 0.1388 0.13333333333333333 sulfamethizole Low-priority: Computational docking glisoxepide vs vulva_cancer targets. Cross-check glisoxepide pharmacophore against vulva_cancer pathway. l-ornithine asthma GAP_LOW 0.1388 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs asthma targets. Cross-check l-ornithine pharmacophore against asthma pathway. trimethoprim panic_disorder GAP_LOW 0.1388 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs panic_disorder targets. Cross-check trimethoprim pharmacophore against panic_disorder pathway. aminophenazone type_1_diabetes_mellitus GAP_LOW 0.1388 0.0625 betamethasone Low-priority: Computational docking aminophenazone vs type_1_diabetes_mellitus targets. Cross-check aminophenazone pharmacophore against type_1_diabetes_mellitus pathway. l-cystine membranous_glomerulonephritis GAP_LOW 0.1388 0.02666666666666667 adenosine_monophosphate Low-priority: Computational docking l-cystine vs membranous_glomerulonephritis targets. Cross-check l-cystine pharmacophore against membranous_glomerulonephritis pathway. anisindione hypothyroidism GAP_LOW 0.1388 0.0 methimazole Low-priority: Computational docking anisindione vs hypothyroidism targets. Cross-check anisindione pharmacophore against hypothyroidism pathway. dimetindene hypothyroidism GAP_LOW 0.1388 0.0 methimazole Low-priority: Computational docking dimetindene vs hypothyroidism targets. Cross-check dimetindene pharmacophore against hypothyroidism pathway. methyclothiazide hypothyroidism GAP_LOW 0.1388 0.0 methimazole Low-priority: Computational docking methyclothiazide vs hypothyroidism targets. Cross-check methyclothiazide pharmacophore against hypothyroidism pathway. orphenadrine hypothyroidism GAP_LOW 0.1388 0.0 methimazole Low-priority: Computational docking orphenadrine vs hypothyroidism targets. Cross-check orphenadrine pharmacophore against hypothyroidism pathway. clofedanol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1387 0.5294117647058824 diphenhydramine High-priority: Binding assay clofedanol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.53) promethazine thymus_cancer GAP_HIGH 0.1387 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) naftifine germ_cell_cancer GAP_HIGH 0.1387 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) spironolactone primary_biliary_cirrhosis GAP_HIGH 0.1387 0.42857142857142855 drospirenone High-priority: Binding assay spironolactone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drospirenone (Jaccard=0.43) phentermine vaginal_cancer GAP_HIGH 0.1387 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) phentermine vulva_cancer GAP_HIGH 0.1387 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) vismodegib parkinsons_disease GAP_HIGH 0.1387 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in parkinsons_disease cell model. Expected: similar to olsalazine (Jaccard=0.38) mefenamic_acid type_1_diabetes_mellitus GAP_HIGH 0.1387 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.37) chloroprocaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1387 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine autistic_disorder GAP_HIGH 0.1387 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine nicotine_dependence GAP_HIGH 0.1387 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.36) orphenadrine peripheral_nervous_system_neoplasm GAP_HIGH 0.1387 0.3333333333333333 tamoxifen High-priority: Binding assay orphenadrine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.33) ethylmorphine azoospermia GAP_HIGH 0.1387 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in azoospermia cell model. Expected: similar to bepridil (Jaccard=0.25) ponatinib malignant_mesothelioma GAP_HIGH 0.1387 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in malignant_mesothelioma cell model. Expected: similar to sunitinib (Jaccard=0.25) nandrolone_phenpropionate penile_cancer GAP_HIGH 0.1387 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in penile_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) conjugated_estrogens esophageal_cancer GAP_HIGH 0.1387 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.22) nilotinib head_and_neck_cancer GAP_HIGH 0.1387 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) nilotinib malignant_glioma GAP_HIGH 0.1387 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.22) metaraminol mediastinal_cancer GAP_HIGH 0.1387 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) norepinephrine nephrolithiasis GAP_HIGH 0.1387 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.20) remifentanil idiopathic_pulmonary_fibrosis GAP_HIGH 0.1387 0.18181818181818182 atomoxetine High-priority: Binding assay remifentanil→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.18) l-aspartic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1387 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to l-serine (Jaccard=0.16) dinoprostone ulcerative_colitis GAP_LOW 0.1387 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs ulcerative_colitis targets. Cross-check dinoprostone pharmacophore against ulcerative_colitis pathway. l-ornithine allergic_rhinitis GAP_LOW 0.1387 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs allergic_rhinitis targets. Cross-check l-ornithine pharmacophore against allergic_rhinitis pathway. l-ornithine breast_cancer GAP_LOW 0.1387 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs breast_cancer targets. Cross-check l-ornithine pharmacophore against breast_cancer pathway. l-ornithine colon_cancer GAP_LOW 0.1387 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs colon_cancer targets. Cross-check l-ornithine pharmacophore against colon_cancer pathway. methylphenobarbital salivary_gland_cancer GAP_LOW 0.1387 0.13333333333333333 diphenylpyraline Low-priority: Computational docking methylphenobarbital vs salivary_gland_cancer targets. Cross-check methylphenobarbital pharmacophore against salivary_gland_cancer pathway. trimethoprim asthma GAP_LOW 0.1387 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs asthma targets. Cross-check trimethoprim pharmacophore against asthma pathway. trimethoprim schizophrenia GAP_LOW 0.1387 0.13043478260869565 bevantolol Low-priority: Computational docking trimethoprim vs schizophrenia targets. Cross-check trimethoprim pharmacophore against schizophrenia pathway. trimethoprim epilepsy_syndrome GAP_LOW 0.1387 0.125 alcaftadine Low-priority: Computational docking trimethoprim vs epilepsy_syndrome targets. Cross-check trimethoprim pharmacophore against epilepsy_syndrome pathway. trimethoprim hematologic_cancer GAP_LOW 0.1387 0.11764705882352941 floxuridine Low-priority: Computational docking trimethoprim vs hematologic_cancer targets. Cross-check trimethoprim pharmacophore against hematologic_cancer pathway. dihomo-gamma-linolenic_acid muscle_cancer GAP_LOW 0.1387 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs muscle_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against muscle_cancer pathway. nisoldipine malaria GAP_LOW 0.1387 0.1111111111111111 primidone Low-priority: Computational docking nisoldipine vs malaria targets. Cross-check nisoldipine pharmacophore against malaria pathway. pyrimethamine alopecia_areata GAP_LOW 0.1387 0.1 dexamethasone Low-priority: Computational docking pyrimethamine vs alopecia_areata targets. Cross-check pyrimethamine pharmacophore against alopecia_areata pathway. benzthiazide atherosclerosis GAP_LOW 0.1387 0.08571428571428572 fenoprofen Low-priority: Computational docking benzthiazide vs atherosclerosis targets. Cross-check benzthiazide pharmacophore against atherosclerosis pathway. arformoterol leprosy GAP_LOW 0.1387 0.08333333333333333 sulfamethizole Low-priority: Computational docking arformoterol vs leprosy targets. Cross-check arformoterol pharmacophore against leprosy pathway. dinoprost_tromethamine type_1_diabetes_mellitus GAP_LOW 0.1387 0.07692307692307693 olsalazine Low-priority: Computational docking dinoprost_tromethamine vs type_1_diabetes_mellitus targets. Cross-check dinoprost_tromethamine pharmacophore against type_1_diabetes_mellitus pathway. thiothixene crohns_disease GAP_HIGH 0.1386 0.5238095238095238 pirenzepine High-priority: Binding assay thiothixene→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.52) atomoxetine mediastinal_cancer GAP_HIGH 0.1386 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) naproxen conduct_disorder GAP_HIGH 0.1386 0.4090909090909091 bromfenac High-priority: Binding assay naproxen→?; validate in conduct_disorder cell model. Expected: similar to bromfenac (Jaccard=0.41) phentermine testicular_cancer GAP_HIGH 0.1386 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) brompheniramine hematologic_cancer GAP_HIGH 0.1386 0.375 carbinoxamine High-priority: Binding assay brompheniramine→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.38) vismodegib amyotrophic_lateral_sclerosis GAP_HIGH 0.1386 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) ponatinib celiac_disease GAP_HIGH 0.1386 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.24) methyclothiazide colon_cancer GAP_HIGH 0.1386 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in colon_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide stomach_cancer GAP_HIGH 0.1386 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine skin_cancer GAP_HIGH 0.1386 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in skin_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) metaraminol thymus_cancer GAP_HIGH 0.1386 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) amlodipine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1386 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) dinoprostone ovarian_cancer GAP_LOW 0.1386 0.14285714285714285 pemetrexed Low-priority: Computational docking dinoprostone vs ovarian_cancer targets. Cross-check dinoprostone pharmacophore against ovarian_cancer pathway. glisoxepide vascular_cancer GAP_LOW 0.1386 0.13333333333333333 sulfamethizole Low-priority: Computational docking glisoxepide vs vascular_cancer targets. Cross-check glisoxepide pharmacophore against vascular_cancer pathway. zolmitriptan hematologic_cancer GAP_LOW 0.1386 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs hematologic_cancer targets. Cross-check zolmitriptan pharmacophore against hematologic_cancer pathway. amphetamine malaria GAP_LOW 0.1386 0.1111111111111111 tranylcypromine Low-priority: Computational docking amphetamine vs malaria targets. Cross-check amphetamine pharmacophore against malaria pathway. dihomo-gamma-linolenic_acid lung_cancer GAP_LOW 0.1386 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs lung_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against lung_cancer pathway. dihomo-gamma-linolenic_acid rectum_cancer GAP_LOW 0.1386 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs rectum_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against rectum_cancer pathway. dinoprostone celiac_disease GAP_LOW 0.1386 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs celiac_disease targets. Cross-check dinoprostone pharmacophore against celiac_disease pathway. losartan celiac_disease GAP_LOW 0.1386 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs celiac_disease targets. Cross-check losartan pharmacophore against celiac_disease pathway. pasireotide focal_segmental_glomerulosclerosis GAP_LOW 0.1386 0.1111111111111111 ergocalciferol Low-priority: Computational docking pasireotide vs focal_segmental_glomerulosclerosis targets. Cross-check pasireotide pharmacophore against focal_segmental_glomerulosclerosis pathway. nilvadipine focal_segmental_glomerulosclerosis GAP_LOW 0.1386 0.1 naftifine Low-priority: Computational docking nilvadipine vs focal_segmental_glomerulosclerosis targets. Cross-check nilvadipine pharmacophore against focal_segmental_glomerulosclerosis pathway. riboflavin pancreatitis GAP_LOW 0.1386 0.1 epirubicin Low-priority: Computational docking riboflavin vs pancreatitis targets. Cross-check riboflavin pharmacophore against pancreatitis pathway. esmolol acquired_immunodeficiency_syndrome GAP_LOW 0.1386 0.09090909090909091 alvimopan Low-priority: Computational docking esmolol vs acquired_immunodeficiency_syndrome targets. Cross-check esmolol pharmacophore against acquired_immunodeficiency_syndrome pathway. gliquidone focal_segmental_glomerulosclerosis GAP_LOW 0.1386 0.09090909090909091 indapamide Low-priority: Computational docking gliquidone vs focal_segmental_glomerulosclerosis targets. Cross-check gliquidone pharmacophore against focal_segmental_glomerulosclerosis pathway. sodium_tetradecyl_sulfate alzheimers_disease GAP_LOW 0.1386 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs alzheimers_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against alzheimers_disease pathway. sodium_tetradecyl_sulfate parkinsons_disease GAP_LOW 0.1386 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs parkinsons_disease targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against parkinsons_disease pathway. succinic_acid type_2_diabetes_mellitus GAP_LOW 0.1386 0.05555555555555555 anisindione Low-priority: Computational docking succinic_acid vs type_2_diabetes_mellitus targets. Cross-check succinic_acid pharmacophore against type_2_diabetes_mellitus pathway. aminolevulinic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1386 0.05405405405405406 remifentanil Low-priority: Computational docking aminolevulinic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check aminolevulinic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. atomoxetine thymus_cancer GAP_HIGH 0.1385 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) desipramine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1385 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to alvimopan (Jaccard=0.43) phensuximide membranous_glomerulonephritis GAP_HIGH 0.1385 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.39) phentermine vascular_cancer GAP_HIGH 0.1385 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.38) midazolam obesity GAP_HIGH 0.1385 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in obesity cell model. Expected: similar to nitrazepam (Jaccard=0.38) chloroprocaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1385 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.36) acenocoumarol skin_cancer GAP_HIGH 0.1385 0.3125 oxaprozin High-priority: Binding assay acenocoumarol→?; validate in skin_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.31) cinolazepam polycystic_ovary_syndrome GAP_HIGH 0.1385 0.3076923076923077 clobazam High-priority: Binding assay cinolazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clobazam (Jaccard=0.31) phenformin pharynx_cancer GAP_HIGH 0.1385 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in pharynx_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) pirbuterol osteoarthritis GAP_HIGH 0.1385 0.25 levonordefrin High-priority: Binding assay pirbuterol→?; validate in osteoarthritis cell model. Expected: similar to levonordefrin (Jaccard=0.25) atenolol membranous_glomerulonephritis GAP_HIGH 0.1385 0.24242424242424243 fenoprofen High-priority: Binding assay atenolol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.24) methyclothiazide pancreatic_cancer GAP_HIGH 0.1385 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in pancreatic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine vaginal_cancer GAP_HIGH 0.1385 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in vaginal_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) colchicine vulva_cancer GAP_HIGH 0.1385 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in vulva_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) melatonin focal_segmental_glomerulosclerosis GAP_HIGH 0.1385 0.2 trifluoperazine High-priority: Binding assay melatonin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.20) lercanidipine uterine_fibroid GAP_HIGH 0.1385 0.16666666666666666 proparacaine High-priority: Binding assay lercanidipine→?; validate in uterine_fibroid cell model. Expected: similar to proparacaine (Jaccard=0.17) lercanidipine pharynx_cancer GAP_HIGH 0.1385 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) benazepril osteoporosis GAP_LOW 0.1385 0.14285714285714285 methotrexate Low-priority: Computational docking benazepril vs osteoporosis targets. Cross-check benazepril pharmacophore against osteoporosis pathway. cilazapril atopic_dermatitis GAP_LOW 0.1385 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs atopic_dermatitis targets. Cross-check cilazapril pharmacophore against atopic_dermatitis pathway. tolazamide head_and_neck_cancer GAP_LOW 0.1385 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs head_and_neck_cancer targets. Cross-check tolazamide pharmacophore against head_and_neck_cancer pathway. tolazamide malignant_glioma GAP_LOW 0.1385 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs malignant_glioma targets. Cross-check tolazamide pharmacophore against malignant_glioma pathway. l-ornithine osteoporosis GAP_LOW 0.1385 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs osteoporosis targets. Cross-check l-ornithine pharmacophore against osteoporosis pathway. l-ornithine uterine_cancer GAP_LOW 0.1385 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs uterine_cancer targets. Cross-check l-ornithine pharmacophore against uterine_cancer pathway. pasireotide chronic_obstructive_pulmonary_disease GAP_LOW 0.1385 0.13333333333333333 zafirlukast Low-priority: Computational docking pasireotide vs chronic_obstructive_pulmonary_disease targets. Cross-check pasireotide pharmacophore against chronic_obstructive_pulmonary_disease pathway. benazepril idiopathic_pulmonary_fibrosis GAP_LOW 0.1385 0.125 epinephrine Low-priority: Computational docking benazepril vs idiopathic_pulmonary_fibrosis targets. Cross-check benazepril pharmacophore against idiopathic_pulmonary_fibrosis pathway. aminophenazone skin_cancer GAP_LOW 0.1385 0.1 dexamethasone Low-priority: Computational docking aminophenazone vs skin_cancer targets. Cross-check aminophenazone pharmacophore against skin_cancer pathway. olmesartan gilles_de_la_tourette_syndrome GAP_LOW 0.1385 0.09090909090909091 alvimopan Low-priority: Computational docking olmesartan vs gilles_de_la_tourette_syndrome targets. Cross-check olmesartan pharmacophore against gilles_de_la_tourette_syndrome pathway. butabarbital esophageal_cancer GAP_LOW 0.1385 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs esophageal_cancer targets. Cross-check butabarbital pharmacophore against esophageal_cancer pathway. sodium_tetradecyl_sulfate amyotrophic_lateral_sclerosis GAP_LOW 0.1385 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs amyotrophic_lateral_sclerosis targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against amyotrophic_lateral_sclerosis pathway. sodium_tetradecyl_sulfate autistic_disorder GAP_LOW 0.1385 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs autistic_disorder targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against autistic_disorder pathway. sodium_tetradecyl_sulfate nicotine_dependence GAP_LOW 0.1385 0.0625 alverine Low-priority: Computational docking sodium_tetradecyl_sulfate vs nicotine_dependence targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against nicotine_dependence pathway. pentobarbital hepatitis_b GAP_LOW 0.1385 0.058823529411764705 trandolapril Low-priority: Computational docking pentobarbital vs hepatitis_b targets. Cross-check pentobarbital pharmacophore against hepatitis_b pathway. succinic_acid psoriasis GAP_LOW 0.1385 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs psoriasis targets. Cross-check succinic_acid pharmacophore against psoriasis pathway. l-cystine melanoma GAP_LOW 0.1385 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs melanoma targets. Cross-check l-cystine pharmacophore against melanoma pathway. l-cystine coronary_artery_disease GAP_LOW 0.1385 0.03571428571428571 clocortolone Low-priority: Computational docking l-cystine vs coronary_artery_disease targets. Cross-check l-cystine pharmacophore against coronary_artery_disease pathway. chlorpromazine skin_cancer GAP_HIGH 0.1384 0.52 methdilazine High-priority: Binding assay chlorpromazine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.52) dimetacrine melanoma GAP_HIGH 0.1384 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in melanoma cell model. Expected: similar to toremifene (Jaccard=0.50) masoprocol meningioma GAP_HIGH 0.1384 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.38) vismodegib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1384 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) tripelennamine uterine_fibroid GAP_HIGH 0.1384 0.3333333333333333 alimemazine High-priority: Binding assay tripelennamine→?; validate in uterine_fibroid cell model. Expected: similar to alimemazine (Jaccard=0.33) estradiol_valeratedienogest pharynx_cancer GAP_HIGH 0.1384 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in pharynx_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) diethylpropion crohns_disease GAP_HIGH 0.1384 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) mepyramine prostate_cancer GAP_HIGH 0.1384 0.2727272727272727 carbinoxamine High-priority: Binding assay mepyramine→?; validate in prostate_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) ziprasidone lung_cancer GAP_HIGH 0.1384 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in lung_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) ziprasidone rectum_cancer GAP_HIGH 0.1384 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in rectum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) thalidomide germ_cell_cancer GAP_HIGH 0.1384 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) methyclothiazide psoriasis GAP_HIGH 0.1384 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in psoriasis cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide ulcerative_colitis GAP_HIGH 0.1384 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in ulcerative_colitis cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine testicular_cancer GAP_HIGH 0.1384 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in testicular_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) dopamine type_1_diabetes_mellitus GAP_HIGH 0.1384 0.1875 methyldopa High-priority: Binding assay dopamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.19) amlodipine muscle_cancer GAP_HIGH 0.1384 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) anisindione celiac_disease GAP_HIGH 0.1384 0.16666666666666666 phenindamine High-priority: Binding assay anisindione→?; validate in celiac_disease cell model. Expected: similar to phenindamine (Jaccard=0.17) l-ornithine ovarian_cancer GAP_LOW 0.1384 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs ovarian_cancer targets. Cross-check l-ornithine pharmacophore against ovarian_cancer pathway. l-ornithine sarcoma GAP_LOW 0.1384 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs sarcoma targets. Cross-check l-ornithine pharmacophore against sarcoma pathway. methylphenobarbital ocular_cancer GAP_LOW 0.1384 0.13333333333333333 diphenylpyraline Low-priority: Computational docking methylphenobarbital vs ocular_cancer targets. Cross-check methylphenobarbital pharmacophore against ocular_cancer pathway. conivaptan stomach_cancer GAP_LOW 0.1384 0.125 tenofovir Low-priority: Computational docking conivaptan vs stomach_cancer targets. Cross-check conivaptan pharmacophore against stomach_cancer pathway. eprosartan duodenum_cancer GAP_LOW 0.1384 0.125 desipramine Low-priority: Computational docking eprosartan vs duodenum_cancer targets. Cross-check eprosartan pharmacophore against duodenum_cancer pathway. eprosartan gallbladder_cancer GAP_LOW 0.1384 0.125 desipramine Low-priority: Computational docking eprosartan vs gallbladder_cancer targets. Cross-check eprosartan pharmacophore against gallbladder_cancer pathway. nelarabine head_and_neck_cancer GAP_LOW 0.1384 0.125 methotrexate Low-priority: Computational docking nelarabine vs head_and_neck_cancer targets. Cross-check nelarabine pharmacophore against head_and_neck_cancer pathway. nelarabine malignant_glioma GAP_LOW 0.1384 0.125 methotrexate Low-priority: Computational docking nelarabine vs malignant_glioma targets. Cross-check nelarabine pharmacophore against malignant_glioma pathway. dihomo-gamma-linolenic_acid liver_cancer GAP_LOW 0.1384 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs liver_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against liver_cancer pathway. glimepiride narcolepsy GAP_LOW 0.1384 0.1 aspartame Low-priority: Computational docking glimepiride vs narcolepsy targets. Cross-check glimepiride pharmacophore against narcolepsy pathway. dihomo-gamma-linolenic_acid prostate_cancer GAP_LOW 0.1384 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs prostate_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against prostate_cancer pathway. sulpiride lymphatic_system_cancer GAP_LOW 0.1384 0.09090909090909091 aciclovir Low-priority: Computational docking sulpiride vs lymphatic_system_cancer targets. Cross-check sulpiride pharmacophore against lymphatic_system_cancer pathway. amobarbital primary_biliary_cirrhosis GAP_LOW 0.1384 0.08333333333333333 pantoprazole Low-priority: Computational docking amobarbital vs primary_biliary_cirrhosis targets. Cross-check amobarbital pharmacophore against primary_biliary_cirrhosis pathway. heptabarbital glaucoma GAP_LOW 0.1384 0.07142857142857142 chlorphenesin Low-priority: Computational docking heptabarbital vs glaucoma targets. Cross-check heptabarbital pharmacophore against glaucoma pathway. baclofen malaria GAP_LOW 0.1384 0.058823529411764705 warfarin Low-priority: Computational docking baclofen vs malaria targets. Cross-check baclofen pharmacophore against malaria pathway. primidone atherosclerosis GAP_LOW 0.1384 0.041666666666666664 bezafibrate Low-priority: Computational docking primidone vs atherosclerosis targets. Cross-check primidone pharmacophore against atherosclerosis pathway. succinic_acid duodenum_cancer GAP_LOW 0.1384 0.04 medrysone Low-priority: Computational docking succinic_acid vs duodenum_cancer targets. Cross-check succinic_acid pharmacophore against duodenum_cancer pathway. succinic_acid gallbladder_cancer GAP_LOW 0.1384 0.04 medrysone Low-priority: Computational docking succinic_acid vs gallbladder_cancer targets. Cross-check succinic_acid pharmacophore against gallbladder_cancer pathway. l-cystine duodenum_cancer GAP_LOW 0.1384 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs duodenum_cancer targets. Cross-check l-cystine pharmacophore against duodenum_cancer pathway. l-cystine gallbladder_cancer GAP_LOW 0.1384 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs gallbladder_cancer targets. Cross-check l-cystine pharmacophore against gallbladder_cancer pathway. tafluprost gestational_diabetes GAP_LOW 0.1384 0.034482758620689655 bezafibrate Low-priority: Computational docking tafluprost vs gestational_diabetes targets. Cross-check tafluprost pharmacophore against gestational_diabetes pathway. diphenhydramine prostate_cancer GAP_HIGH 0.1383 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in prostate_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) acepromazine systemic_lupus_erythematosus GAP_HIGH 0.1383 0.5 nortriptyline High-priority: Binding assay acepromazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to nortriptyline (Jaccard=0.50) atomoxetine hematologic_cancer GAP_HIGH 0.1383 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) clocortolone amyotrophic_lateral_sclerosis GAP_HIGH 0.1383 0.4 fludrocortisone High-priority: Binding assay clocortolone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.40) difluprednate amyotrophic_lateral_sclerosis GAP_HIGH 0.1383 0.4 fludrocortisone High-priority: Binding assay difluprednate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.40) afatinib duodenum_cancer GAP_HIGH 0.1383 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in duodenum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.33) afatinib gallbladder_cancer GAP_HIGH 0.1383 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in gallbladder_cancer cell model. Expected: similar to lapatinib (Jaccard=0.33) tolterodine type_1_diabetes_mellitus GAP_HIGH 0.1383 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.30) tamsulosin malignant_mesothelioma GAP_HIGH 0.1383 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.24) methyclothiazide osteoporosis GAP_HIGH 0.1383 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in osteoporosis cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide ovarian_cancer GAP_HIGH 0.1383 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in ovarian_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) methyclothiazide uterine_cancer GAP_HIGH 0.1383 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.21) colchicine vascular_cancer GAP_HIGH 0.1383 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in vascular_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.20) melatonin gilles_de_la_tourette_syndrome GAP_HIGH 0.1383 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.20) zolpidem duodenum_cancer GAP_HIGH 0.1383 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) zolpidem gallbladder_cancer GAP_HIGH 0.1383 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) zolpidem melanoma GAP_HIGH 0.1383 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.20) tioguanine epilepsy_syndrome GAP_HIGH 0.1383 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in epilepsy_syndrome cell model. Expected: similar to moricizine (Jaccard=0.18) amlodipine lung_cancer GAP_HIGH 0.1383 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) trifluridine psoriatic_arthritis GAP_HIGH 0.1383 0.16666666666666666 sirolimus High-priority: Binding assay trifluridine→?; validate in psoriatic_arthritis cell model. Expected: similar to sirolimus (Jaccard=0.17) l-aspartic_acid asthma GAP_HIGH 0.1383 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid breast_cancer GAP_HIGH 0.1383 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in breast_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) aciclovir duodenum_cancer GAP_LOW 0.1383 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs duodenum_cancer targets. Cross-check aciclovir pharmacophore against duodenum_cancer pathway. aciclovir gallbladder_cancer GAP_LOW 0.1383 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs gallbladder_cancer targets. Cross-check aciclovir pharmacophore against gallbladder_cancer pathway. tolazamide refractive_error GAP_LOW 0.1383 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs refractive_error targets. Cross-check tolazamide pharmacophore against refractive_error pathway. nicardipine sclerosing_cholangitis GAP_LOW 0.1383 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nicardipine vs sclerosing_cholangitis targets. Cross-check nicardipine pharmacophore against sclerosing_cholangitis pathway. conivaptan pancreatic_cancer GAP_LOW 0.1383 0.125 tenofovir Low-priority: Computational docking conivaptan vs pancreatic_cancer targets. Cross-check conivaptan pharmacophore against pancreatic_cancer pathway. l-ornithine azoospermia GAP_LOW 0.1383 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs azoospermia targets. Cross-check l-ornithine pharmacophore against azoospermia pathway. riboflavin lung_cancer GAP_LOW 0.1383 0.1 epirubicin Low-priority: Computational docking riboflavin vs lung_cancer targets. Cross-check riboflavin pharmacophore against lung_cancer pathway. riboflavin rectum_cancer GAP_LOW 0.1383 0.1 epirubicin Low-priority: Computational docking riboflavin vs rectum_cancer targets. Cross-check riboflavin pharmacophore against rectum_cancer pathway. dinoprostone lymphatic_system_cancer GAP_LOW 0.1383 0.07692307692307693 glucosamine Low-priority: Computational docking dinoprostone vs lymphatic_system_cancer targets. Cross-check dinoprostone pharmacophore against lymphatic_system_cancer pathway. dronedarone primary_biliary_cirrhosis GAP_LOW 0.1383 0.05263157894736842 toremifene Low-priority: Computational docking dronedarone vs primary_biliary_cirrhosis targets. Cross-check dronedarone pharmacophore against primary_biliary_cirrhosis pathway. succinic_acid chronic_kidney_failure GAP_LOW 0.1383 0.02127659574468085 fenoprofen Low-priority: Computational docking succinic_acid vs chronic_kidney_failure targets. Cross-check succinic_acid pharmacophore against chronic_kidney_failure pathway. tetracycline alcohol_dependence GAP_LOW 0.1383 0.0 midazolam Low-priority: Computational docking tetracycline vs alcohol_dependence targets. Cross-check tetracycline pharmacophore against alcohol_dependence pathway. diphenhydramine mediastinal_cancer GAP_HIGH 0.1382 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in mediastinal_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) thiothixene prostate_cancer GAP_HIGH 0.1382 0.5238095238095238 pirenzepine High-priority: Binding assay thiothixene→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.52) phentermine uterine_fibroid GAP_HIGH 0.1382 0.38461538461538464 lacosamide High-priority: Binding assay phentermine→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.38) chloroprocaine asthma GAP_HIGH 0.1382 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine conduct_disorder GAP_HIGH 0.1382 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine panic_disorder GAP_HIGH 0.1382 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine schizophrenia GAP_HIGH 0.1382 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.36) clonidine azoospermia GAP_HIGH 0.1382 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in azoospermia cell model. Expected: similar to salsalate (Jaccard=0.35) ziprasidone liver_cancer GAP_HIGH 0.1382 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in liver_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) streptozocin hypertension GAP_HIGH 0.1382 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in hypertension cell model. Expected: similar to pirbuterol (Jaccard=0.17) l-aspartic_acid allergic_rhinitis GAP_HIGH 0.1382 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid colon_cancer GAP_HIGH 0.1382 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) lercanidipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1382 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.15) cilazapril osteoporosis GAP_LOW 0.1382 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs osteoporosis targets. Cross-check cilazapril pharmacophore against osteoporosis pathway. cilazapril psoriasis GAP_LOW 0.1382 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs psoriasis targets. Cross-check cilazapril pharmacophore against psoriasis pathway. nisoldipine head_and_neck_cancer GAP_LOW 0.1382 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs head_and_neck_cancer targets. Cross-check nisoldipine pharmacophore against head_and_neck_cancer pathway. nisoldipine malignant_glioma GAP_LOW 0.1382 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs malignant_glioma targets. Cross-check nisoldipine pharmacophore against malignant_glioma pathway. treprostinil gout GAP_LOW 0.1382 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs gout targets. Cross-check treprostinil pharmacophore against gout pathway. carvedilol malignant_glioma GAP_LOW 0.1382 0.125 vinblastine Low-priority: Computational docking carvedilol vs malignant_glioma targets. Cross-check carvedilol pharmacophore against malignant_glioma pathway. cilazapril idiopathic_pulmonary_fibrosis GAP_LOW 0.1382 0.125 epinephrine Low-priority: Computational docking cilazapril vs idiopathic_pulmonary_fibrosis targets. Cross-check cilazapril pharmacophore against idiopathic_pulmonary_fibrosis pathway. dihomo-gamma-linolenic_acid urinary_bladder_cancer GAP_LOW 0.1382 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs urinary_bladder_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against urinary_bladder_cancer pathway. pemetrexed leprosy GAP_LOW 0.1382 0.1111111111111111 menadione Low-priority: Computational docking pemetrexed vs leprosy targets. Cross-check pemetrexed pharmacophore against leprosy pathway. dihomo-gamma-linolenic_acid mediastinal_cancer GAP_LOW 0.1382 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs mediastinal_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against mediastinal_cancer pathway. dihomo-gamma-linolenic_acid primary_biliary_cirrhosis GAP_LOW 0.1382 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs primary_biliary_cirrhosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against primary_biliary_cirrhosis pathway. losartan alopecia_areata GAP_LOW 0.1382 0.09090909090909091 dexamethasone Low-priority: Computational docking losartan vs alopecia_areata targets. Cross-check losartan pharmacophore against alopecia_areata pathway. baclofen nephrolithiasis GAP_LOW 0.1382 0.08333333333333333 cabazitaxel Low-priority: Computational docking baclofen vs nephrolithiasis targets. Cross-check baclofen pharmacophore against nephrolithiasis pathway. ibuprofen lymphatic_system_cancer GAP_LOW 0.1382 0.07142857142857142 glucosamine Low-priority: Computational docking ibuprofen vs lymphatic_system_cancer targets. Cross-check ibuprofen pharmacophore against lymphatic_system_cancer pathway. succinic_acid systemic_lupus_erythematosus GAP_LOW 0.1382 0.05 bromodiphenhydramine Low-priority: Computational docking succinic_acid vs systemic_lupus_erythematosus targets. Cross-check succinic_acid pharmacophore against systemic_lupus_erythematosus pathway. vismodegib asthma GAP_HIGH 0.1381 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib conduct_disorder GAP_HIGH 0.1381 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in conduct_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib panic_disorder GAP_HIGH 0.1381 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in panic_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib schizophrenia GAP_HIGH 0.1381 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in schizophrenia cell model. Expected: similar to olsalazine (Jaccard=0.38) chloroprocaine allergic_rhinitis GAP_HIGH 0.1381 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine atopic_dermatitis GAP_HIGH 0.1381 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.36) chloroprocaine breast_cancer GAP_HIGH 0.1381 0.35714285714285715 phenmetrazine High-priority: Binding assay chloroprocaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.36) chloroprocaine hypertension GAP_HIGH 0.1381 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.36) drostanolone coronary_artery_disease GAP_HIGH 0.1381 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in coronary_artery_disease cell model. Expected: similar to levorphanol (Jaccard=0.32) tranylcypromine type_1_diabetes_mellitus GAP_HIGH 0.1381 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.29) lidocaine esophageal_cancer GAP_HIGH 0.1381 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in esophageal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) mepyramine gout GAP_HIGH 0.1381 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.27) dapsone duodenum_cancer GAP_HIGH 0.1381 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in duodenum_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) dapsone gallbladder_cancer GAP_HIGH 0.1381 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in gallbladder_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) dapsone melanoma GAP_HIGH 0.1381 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in melanoma cell model. Expected: similar to sulfapyridine (Jaccard=0.25) ponatinib meningioma GAP_HIGH 0.1381 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in meningioma cell model. Expected: similar to sunitinib (Jaccard=0.25) colchicine systemic_scleroderma GAP_HIGH 0.1381 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in systemic_scleroderma cell model. Expected: similar to dexamethasone (Jaccard=0.20) l-tryptophan acquired_immunodeficiency_syndrome GAP_HIGH 0.1381 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.20) lenalidomide lymphatic_system_cancer GAP_HIGH 0.1381 0.2 streptozocin High-priority: Binding assay lenalidomide→?; validate in lymphatic_system_cancer cell model. Expected: similar to streptozocin (Jaccard=0.20) nilotinib atherosclerosis GAP_HIGH 0.1381 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) amlodipine liver_cancer GAP_HIGH 0.1381 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) carvedilol hypertension GAP_HIGH 0.1381 0.16666666666666666 gemfibrozil High-priority: Binding assay carvedilol→?; validate in hypertension cell model. Expected: similar to gemfibrozil (Jaccard=0.17) nimodipine ankylosing_spondylitis GAP_HIGH 0.1381 0.16666666666666666 metolazone High-priority: Binding assay nimodipine→?; validate in ankylosing_spondylitis cell model. Expected: similar to metolazone (Jaccard=0.17) salbutamol dilated_cardiomyopathy GAP_HIGH 0.1381 0.16666666666666666 milrinone High-priority: Binding assay salbutamol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.17) treprostinil coronary_artery_disease GAP_LOW 0.1381 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs coronary_artery_disease targets. Cross-check treprostinil pharmacophore against coronary_artery_disease pathway. eprosartan sclerosing_cholangitis GAP_LOW 0.1381 0.125 cinnarizine Low-priority: Computational docking eprosartan vs sclerosing_cholangitis targets. Cross-check eprosartan pharmacophore against sclerosing_cholangitis pathway. aminoglutethimide meningioma GAP_LOW 0.1381 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs meningioma targets. Cross-check aminoglutethimide pharmacophore against meningioma pathway. dihomo-gamma-linolenic_acid thymus_cancer GAP_LOW 0.1381 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs thymus_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against thymus_cancer pathway. heptabarbital meningioma GAP_LOW 0.1381 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs meningioma targets. Cross-check heptabarbital pharmacophore against meningioma pathway. trimethoprim alopecia_areata GAP_LOW 0.1381 0.08333333333333333 dexamethasone Low-priority: Computational docking trimethoprim vs alopecia_areata targets. Cross-check trimethoprim pharmacophore against alopecia_areata pathway. l-cystine sclerosing_cholangitis GAP_LOW 0.1381 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs sclerosing_cholangitis targets. Cross-check l-cystine pharmacophore against sclerosing_cholangitis pathway. diphenhydramine thymus_cancer GAP_HIGH 0.138 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in thymus_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) promazine gilles_de_la_tourette_syndrome GAP_HIGH 0.138 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to clofedanol (Jaccard=0.48) fluoxymesterone amyotrophic_lateral_sclerosis GAP_HIGH 0.138 0.4782608695652174 fludrocortisone High-priority: Binding assay fluoxymesterone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.48) sunitinib psoriatic_arthritis GAP_HIGH 0.138 0.4 sorafenib High-priority: Binding assay sunitinib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.40) vismodegib allergic_rhinitis GAP_HIGH 0.138 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib breast_cancer GAP_HIGH 0.138 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in breast_cancer cell model. Expected: similar to olsalazine (Jaccard=0.38) chloroprocaine bipolar_disorder GAP_HIGH 0.138 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.36) orphenadrine uterine_cancer GAP_HIGH 0.138 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in uterine_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) clozapine alcohol_dependence GAP_HIGH 0.138 0.2857142857142857 midazolam High-priority: Binding assay clozapine→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.29) ethinyl_estradiol dilated_cardiomyopathy GAP_HIGH 0.138 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to hydrocortisone (Jaccard=0.29) ethynodiol esophageal_cancer GAP_HIGH 0.138 0.25 fulvestrant High-priority: Binding assay ethynodiol→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.25) benzocaine head_and_neck_cancer GAP_HIGH 0.138 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in head_and_neck_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) benzocaine malignant_glioma GAP_HIGH 0.138 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in malignant_glioma cell model. Expected: similar to topotecan (Jaccard=0.20) colchicine uterine_fibroid GAP_HIGH 0.138 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in uterine_fibroid cell model. Expected: similar to dexamethasone (Jaccard=0.20) diclofenamide restless_legs_syndrome GAP_HIGH 0.138 0.2 pimozide High-priority: Binding assay diclofenamide→?; validate in restless_legs_syndrome cell model. Expected: similar to pimozide (Jaccard=0.20) pentostatin gout GAP_HIGH 0.138 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in gout cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) l-aspartic_acid osteoporosis GAP_HIGH 0.138 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid uterine_cancer GAP_HIGH 0.138 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) aciclovir creutzfeldt-jakob_disease GAP_LOW 0.138 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs creutzfeldt-jakob_disease targets. Cross-check aciclovir pharmacophore against creutzfeldt-jakob_disease pathway. benazepril osteoarthritis GAP_LOW 0.138 0.14285714285714285 methotrexate Low-priority: Computational docking benazepril vs osteoarthritis targets. Cross-check benazepril pharmacophore against osteoarthritis pathway. l-ornithine skin_cancer GAP_LOW 0.138 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs skin_cancer targets. Cross-check l-ornithine pharmacophore against skin_cancer pathway. conivaptan sarcoma GAP_LOW 0.138 0.125 tenofovir Low-priority: Computational docking conivaptan vs sarcoma targets. Cross-check conivaptan pharmacophore against sarcoma pathway. eprosartan creutzfeldt-jakob_disease GAP_LOW 0.138 0.125 desipramine Low-priority: Computational docking eprosartan vs creutzfeldt-jakob_disease targets. Cross-check eprosartan pharmacophore against creutzfeldt-jakob_disease pathway. trimethoprim crohns_disease GAP_LOW 0.138 0.1111111111111111 raloxifene Low-priority: Computational docking trimethoprim vs crohns_disease targets. Cross-check trimethoprim pharmacophore against crohns_disease pathway. talbutal atopic_dermatitis GAP_LOW 0.138 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs atopic_dermatitis targets. Cross-check talbutal pharmacophore against atopic_dermatitis pathway. talbutal colon_cancer GAP_LOW 0.138 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs colon_cancer targets. Cross-check talbutal pharmacophore against colon_cancer pathway. riboflavin narcolepsy GAP_LOW 0.138 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs narcolepsy targets. Cross-check riboflavin pharmacophore against narcolepsy pathway. riboflavin chronic_kidney_failure GAP_LOW 0.138 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs chronic_kidney_failure targets. Cross-check riboflavin pharmacophore against chronic_kidney_failure pathway. nisoldipine dilated_cardiomyopathy GAP_LOW 0.138 0.0625 medrysone Low-priority: Computational docking nisoldipine vs dilated_cardiomyopathy targets. Cross-check nisoldipine pharmacophore against dilated_cardiomyopathy pathway. succinic_acid sclerosing_cholangitis GAP_LOW 0.138 0.04 medrysone Low-priority: Computational docking succinic_acid vs sclerosing_cholangitis targets. Cross-check succinic_acid pharmacophore against sclerosing_cholangitis pathway. diphenhydramine hematologic_cancer GAP_HIGH 0.1379 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in hematologic_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) thiothixene gout GAP_HIGH 0.1379 0.5238095238095238 pirenzepine High-priority: Binding assay thiothixene→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.52) diphenhydramine penile_cancer GAP_HIGH 0.1379 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.52) naftifine malignant_mesothelioma GAP_HIGH 0.1379 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in malignant_mesothelioma cell model. Expected: similar to toremifene (Jaccard=0.43) lacosamide epilepsy_syndrome GAP_HIGH 0.1379 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in epilepsy_syndrome cell model. Expected: similar to phentermine (Jaccard=0.38) midazolam type_2_diabetes_mellitus GAP_HIGH 0.1379 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to nitrazepam (Jaccard=0.38) midazolam vitiligo GAP_HIGH 0.1379 0.375 nitrazepam High-priority: Binding assay midazolam→?; validate in vitiligo cell model. Expected: similar to nitrazepam (Jaccard=0.38) vismodegib bipolar_disorder GAP_HIGH 0.1379 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in bipolar_disorder cell model. Expected: similar to olsalazine (Jaccard=0.38) chloroprocaine endogenous_depression GAP_HIGH 0.1379 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.36) phenformin salivary_gland_cancer GAP_HIGH 0.1379 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in salivary_gland_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) mepyramine hematologic_cancer GAP_HIGH 0.1379 0.2727272727272727 carbinoxamine High-priority: Binding assay mepyramine→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) tripelennamine esophageal_cancer GAP_HIGH 0.1379 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) floxuridine meningioma GAP_HIGH 0.1379 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in meningioma cell model. Expected: similar to gemcitabine (Jaccard=0.27) pomalidomide hepatitis_b GAP_HIGH 0.1379 0.2222222222222222 glucosamine High-priority: Binding assay pomalidomide→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.22) amlodipine urinary_bladder_cancer GAP_HIGH 0.1379 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) benzocaine lymphatic_system_cancer GAP_HIGH 0.1379 0.16666666666666666 nelarabine High-priority: Binding assay benzocaine→?; validate in lymphatic_system_cancer cell model. Expected: similar to nelarabine (Jaccard=0.17) quinestrol alzheimers_disease GAP_HIGH 0.1379 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.17) l-aspartic_acid migraine GAP_HIGH 0.1379 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in migraine cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid ovarian_cancer GAP_HIGH 0.1379 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in ovarian_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid sarcoma GAP_HIGH 0.1379 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.16) lercanidipine salivary_gland_cancer GAP_HIGH 0.1379 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) isoetarine dilated_cardiomyopathy GAP_LOW 0.1379 0.14285714285714285 milrinone Low-priority: Computational docking isoetarine vs dilated_cardiomyopathy targets. Cross-check isoetarine pharmacophore against dilated_cardiomyopathy pathway. l-ornithine osteoarthritis GAP_LOW 0.1379 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs osteoarthritis targets. Cross-check l-ornithine pharmacophore against osteoarthritis pathway. l-ornithine vaginal_cancer GAP_LOW 0.1379 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs vaginal_cancer targets. Cross-check l-ornithine pharmacophore against vaginal_cancer pathway. l-ornithine vulva_cancer GAP_LOW 0.1379 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs vulva_cancer targets. Cross-check l-ornithine pharmacophore against vulva_cancer pathway. conivaptan systemic_lupus_erythematosus GAP_LOW 0.1379 0.125 tenofovir Low-priority: Computational docking conivaptan vs systemic_lupus_erythematosus targets. Cross-check conivaptan pharmacophore against systemic_lupus_erythematosus pathway. trimethoprim amyotrophic_lateral_sclerosis GAP_LOW 0.1379 0.125 cyproheptadine Low-priority: Computational docking trimethoprim vs amyotrophic_lateral_sclerosis targets. Cross-check trimethoprim pharmacophore against amyotrophic_lateral_sclerosis pathway. talbutal allergic_rhinitis GAP_LOW 0.1379 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs allergic_rhinitis targets. Cross-check talbutal pharmacophore against allergic_rhinitis pathway. primidone idiopathic_pulmonary_fibrosis GAP_LOW 0.1379 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs idiopathic_pulmonary_fibrosis targets. Cross-check primidone pharmacophore against idiopathic_pulmonary_fibrosis pathway. valsartan gilles_de_la_tourette_syndrome GAP_LOW 0.1379 0.09090909090909091 alvimopan Low-priority: Computational docking valsartan vs gilles_de_la_tourette_syndrome targets. Cross-check valsartan pharmacophore against gilles_de_la_tourette_syndrome pathway. talbutal crohns_disease GAP_LOW 0.1379 0.08333333333333333 clocortolone Low-priority: Computational docking talbutal vs crohns_disease targets. Cross-check talbutal pharmacophore against crohns_disease pathway. agomelatine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking agomelatine vs pagets_disease_of_bone targets. Cross-check agomelatine pharmacophore against pagets_disease_of_bone pathway. benzocaine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking benzocaine vs pagets_disease_of_bone targets. Cross-check benzocaine pharmacophore against pagets_disease_of_bone pathway. cinchocaine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking cinchocaine vs pagets_disease_of_bone targets. Cross-check cinchocaine pharmacophore against pagets_disease_of_bone pathway. clonazepam pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking clonazepam vs pagets_disease_of_bone targets. Cross-check clonazepam pharmacophore against pagets_disease_of_bone pathway. clotiazepam pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking clotiazepam vs pagets_disease_of_bone targets. Cross-check clotiazepam pharmacophore against pagets_disease_of_bone pathway. cyproheptadine hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking cyproheptadine vs hypothyroidism targets. Cross-check cyproheptadine pharmacophore against hypothyroidism pathway. difenoxin hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking difenoxin vs hypothyroidism targets. Cross-check difenoxin pharmacophore against hypothyroidism pathway. disopyramide hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking disopyramide vs hypothyroidism targets. Cross-check disopyramide pharmacophore against hypothyroidism pathway. dobutamine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking dobutamine vs pagets_disease_of_bone targets. Cross-check dobutamine pharmacophore against pagets_disease_of_bone pathway. isocarboxazid hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking isocarboxazid vs hypothyroidism targets. Cross-check isocarboxazid pharmacophore against hypothyroidism pathway. isoetarine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking isoetarine vs pagets_disease_of_bone targets. Cross-check isoetarine pharmacophore against pagets_disease_of_bone pathway. l-glutamine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking l-glutamine vs pagets_disease_of_bone targets. Cross-check l-glutamine pharmacophore against pagets_disease_of_bone pathway. lenalidomide pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking lenalidomide vs pagets_disease_of_bone targets. Cross-check lenalidomide pharmacophore against pagets_disease_of_bone pathway. mephentermine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking mephentermine vs pagets_disease_of_bone targets. Cross-check mephentermine pharmacophore against pagets_disease_of_bone pathway. nelarabine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking nelarabine vs pagets_disease_of_bone targets. Cross-check nelarabine pharmacophore against pagets_disease_of_bone pathway. orlistat hepatitis_b GAP_LOW 0.1379 0.0 mitiglinide Low-priority: Computational docking orlistat vs hepatitis_b targets. Cross-check orlistat pharmacophore against hepatitis_b pathway. oxazepam hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking oxazepam vs hypothyroidism targets. Cross-check oxazepam pharmacophore against hypothyroidism pathway. pentostatin hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking pentostatin vs hypothyroidism targets. Cross-check pentostatin pharmacophore against hypothyroidism pathway. phenmetrazine hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking phenmetrazine vs hypothyroidism targets. Cross-check phenmetrazine pharmacophore against hypothyroidism pathway. proparacaine pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking proparacaine vs pagets_disease_of_bone targets. Cross-check proparacaine pharmacophore against pagets_disease_of_bone pathway. sodium_lauryl_sulfate hepatitis_b GAP_LOW 0.1379 0.0 mitiglinide Low-priority: Computational docking sodium_lauryl_sulfate vs hepatitis_b targets. Cross-check sodium_lauryl_sulfate pharmacophore against hepatitis_b pathway. sulfanilamide pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking sulfanilamide vs pagets_disease_of_bone targets. Cross-check sulfanilamide pharmacophore against pagets_disease_of_bone pathway. tenofovir pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking tenofovir vs pagets_disease_of_bone targets. Cross-check tenofovir pharmacophore against pagets_disease_of_bone pathway. vidarabine hypothyroidism GAP_LOW 0.1379 0.0 methimazole Low-priority: Computational docking vidarabine vs hypothyroidism targets. Cross-check vidarabine pharmacophore against hypothyroidism pathway. zolpidem pagets_disease_of_bone GAP_LOW 0.1379 0.0 ibandronate Low-priority: Computational docking zolpidem vs pagets_disease_of_bone targets. Cross-check zolpidem pharmacophore against pagets_disease_of_bone pathway. ethopropazine hematologic_cancer GAP_HIGH 0.1378 0.5 thioproperazine High-priority: Binding assay ethopropazine→?; validate in hematologic_cancer cell model. Expected: similar to thioproperazine (Jaccard=0.50) alimemazine melanoma GAP_HIGH 0.1378 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.44) vismodegib endogenous_depression GAP_HIGH 0.1378 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in endogenous_depression cell model. Expected: similar to olsalazine (Jaccard=0.38) chloroprocaine multiple_sclerosis GAP_HIGH 0.1378 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.36) dextroamphetamine pancreatitis GAP_HIGH 0.1378 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) voacamine systemic_lupus_erythematosus GAP_HIGH 0.1378 0.3333333333333333 vinblastine High-priority: Binding assay voacamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vinblastine (Jaccard=0.33) alvimopan pharynx_cancer GAP_HIGH 0.1378 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) thalidomide crohns_disease GAP_HIGH 0.1378 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide penile_cancer GAP_HIGH 0.1378 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) levomilnacipran malignant_mesothelioma GAP_HIGH 0.1378 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.25) methyclothiazide osteoarthritis GAP_HIGH 0.1378 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in osteoarthritis cell model. Expected: similar to etoricoxib (Jaccard=0.21) nandrolone_phenpropionate esophageal_cancer GAP_HIGH 0.1378 0.21052631578947367 fludrocortisone High-priority: Binding assay nandrolone_phenpropionate→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.21) benzocaine refractive_error GAP_HIGH 0.1378 0.2 metaraminol High-priority: Binding assay benzocaine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) captopril asthma GAP_HIGH 0.1378 0.16666666666666666 danazol High-priority: Binding assay captopril→?; validate in asthma cell model. Expected: similar to danazol (Jaccard=0.17) isradipine restless_legs_syndrome GAP_HIGH 0.1378 0.16666666666666666 metolazone High-priority: Binding assay isradipine→?; validate in restless_legs_syndrome cell model. Expected: similar to metolazone (Jaccard=0.17) quinestrol nicotine_dependence GAP_HIGH 0.1378 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.17) l-ornithine testicular_cancer GAP_LOW 0.1378 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs testicular_cancer targets. Cross-check l-ornithine pharmacophore against testicular_cancer pathway. nicardipine ankylosing_spondylitis GAP_LOW 0.1378 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nicardipine vs ankylosing_spondylitis targets. Cross-check nicardipine pharmacophore against ankylosing_spondylitis pathway. quinapril lung_cancer GAP_LOW 0.1378 0.125 desipramine Low-priority: Computational docking quinapril vs lung_cancer targets. Cross-check quinapril pharmacophore against lung_cancer pathway. zolmitriptan duodenum_cancer GAP_LOW 0.1378 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs duodenum_cancer targets. Cross-check zolmitriptan pharmacophore against duodenum_cancer pathway. zolmitriptan gallbladder_cancer GAP_LOW 0.1378 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs gallbladder_cancer targets. Cross-check zolmitriptan pharmacophore against gallbladder_cancer pathway. carboprost_tromethamine breast_cancer GAP_LOW 0.1378 0.1111111111111111 mestranol Low-priority: Computational docking carboprost_tromethamine vs breast_cancer targets. Cross-check carboprost_tromethamine pharmacophore against breast_cancer pathway. dihomo-gamma-linolenic_acid asthma GAP_LOW 0.1378 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs asthma targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against asthma pathway. zolmitriptan idiopathic_pulmonary_fibrosis GAP_LOW 0.1378 0.1111111111111111 azatadine Low-priority: Computational docking zolmitriptan vs idiopathic_pulmonary_fibrosis targets. Cross-check zolmitriptan pharmacophore against idiopathic_pulmonary_fibrosis pathway. pyrimethamine esophageal_cancer GAP_LOW 0.1378 0.1 dexamethasone Low-priority: Computational docking pyrimethamine vs esophageal_cancer targets. Cross-check pyrimethamine pharmacophore against esophageal_cancer pathway. pentobarbital penile_cancer GAP_LOW 0.1378 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs penile_cancer targets. Cross-check pentobarbital pharmacophore against penile_cancer pathway. calcium_acetate kidney_cancer GAP_LOW 0.1378 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs kidney_cancer targets. Cross-check calcium_acetate pharmacophore against kidney_cancer pathway. esmolol dilated_cardiomyopathy GAP_LOW 0.1378 0.07142857142857142 trandolapril Low-priority: Computational docking esmolol vs dilated_cardiomyopathy targets. Cross-check esmolol pharmacophore against dilated_cardiomyopathy pathway. aprobarbital glaucoma GAP_LOW 0.1378 0.06896551724137931 pseudoephedrine Low-priority: Computational docking aprobarbital vs glaucoma targets. Cross-check aprobarbital pharmacophore against glaucoma pathway. butethal glaucoma GAP_LOW 0.1378 0.06896551724137931 pseudoephedrine Low-priority: Computational docking butethal vs glaucoma targets. Cross-check butethal pharmacophore against glaucoma pathway. aminolevulinic_acid type_1_diabetes_mellitus GAP_LOW 0.1378 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs type_1_diabetes_mellitus targets. Cross-check aminolevulinic_acid pharmacophore against type_1_diabetes_mellitus pathway. l-ornithine dilated_cardiomyopathy GAP_LOW 0.1378 0.05 rimexolone Low-priority: Computational docking l-ornithine vs dilated_cardiomyopathy targets. Cross-check l-ornithine pharmacophore against dilated_cardiomyopathy pathway. succinic_acid rectum_cancer GAP_LOW 0.1378 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs rectum_cancer targets. Cross-check succinic_acid pharmacophore against rectum_cancer pathway. l-methionine leprosy GAP_LOW 0.1378 0.021739130434782608 menadione Low-priority: Computational docking l-methionine vs leprosy targets. Cross-check l-methionine pharmacophore against leprosy pathway. methadone focal_segmental_glomerulosclerosis GAP_HIGH 0.1377 0.53125 clofedanol High-priority: Binding assay methadone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clofedanol (Jaccard=0.53) promethazine melanoma GAP_HIGH 0.1377 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.50) desipramine sarcoma GAP_HIGH 0.1377 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in sarcoma cell model. Expected: similar to alvimopan (Jaccard=0.43) chlorpromazine atherosclerosis GAP_HIGH 0.1377 0.4117647058823529 flurbiprofen High-priority: Binding assay chlorpromazine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.41) propafenone ankylosing_spondylitis GAP_HIGH 0.1377 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.39) vismodegib migraine GAP_HIGH 0.1377 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in migraine cell model. Expected: similar to olsalazine (Jaccard=0.38) vismodegib multiple_sclerosis GAP_HIGH 0.1377 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in multiple_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.38) fluorometholone pancreatitis GAP_HIGH 0.1377 0.3157894736842105 fludrocortisone High-priority: Binding assay fluorometholone→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.32) methylprednisolone malignant_mesothelioma GAP_HIGH 0.1377 0.3157894736842105 fludrocortisone High-priority: Binding assay methylprednisolone→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.32) estradiol_valeratedienogest salivary_gland_cancer GAP_HIGH 0.1377 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in salivary_gland_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) levonorgestrel mediastinal_cancer GAP_HIGH 0.1377 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in mediastinal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) hydromorphone autistic_disorder GAP_HIGH 0.1377 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.25) melatonin skin_cancer GAP_HIGH 0.1377 0.25 montelukast High-priority: Binding assay melatonin→?; validate in skin_cancer cell model. Expected: similar to montelukast (Jaccard=0.25) colchicine polycystic_ovary_syndrome GAP_HIGH 0.1377 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to dexamethasone (Jaccard=0.20) lercanidipine rectum_cancer GAP_HIGH 0.1377 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) cilazapril osteoarthritis GAP_LOW 0.1377 0.14285714285714285 desipramine Low-priority: Computational docking cilazapril vs osteoarthritis targets. Cross-check cilazapril pharmacophore against osteoarthritis pathway. l-ornithine vascular_cancer GAP_LOW 0.1377 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs vascular_cancer targets. Cross-check l-ornithine pharmacophore against vascular_cancer pathway. methocarbamol type_1_diabetes_mellitus GAP_LOW 0.1377 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs type_1_diabetes_mellitus targets. Cross-check methocarbamol pharmacophore against type_1_diabetes_mellitus pathway. amlodipine celiac_disease GAP_LOW 0.1377 0.13043478260869565 diphenylpyraline Low-priority: Computational docking amlodipine vs celiac_disease targets. Cross-check amlodipine pharmacophore against celiac_disease pathway. nilvadipine sclerosing_cholangitis GAP_LOW 0.1377 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nilvadipine vs sclerosing_cholangitis targets. Cross-check nilvadipine pharmacophore against sclerosing_cholangitis pathway. emtricitabine celiac_disease GAP_LOW 0.1377 0.125 tioguanine Low-priority: Computational docking emtricitabine vs celiac_disease targets. Cross-check emtricitabine pharmacophore against celiac_disease pathway. dihomo-gamma-linolenic_acid allergic_rhinitis GAP_LOW 0.1377 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs allergic_rhinitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against allergic_rhinitis pathway. dihomo-gamma-linolenic_acid atopic_dermatitis GAP_LOW 0.1377 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs atopic_dermatitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against atopic_dermatitis pathway. dihomo-gamma-linolenic_acid colon_cancer GAP_LOW 0.1377 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs colon_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against colon_cancer pathway. dihomo-gamma-linolenic_acid stomach_cancer GAP_LOW 0.1377 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs stomach_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against stomach_cancer pathway. irbesartan ankylosing_spondylitis GAP_LOW 0.1377 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs ankylosing_spondylitis targets. Cross-check irbesartan pharmacophore against ankylosing_spondylitis pathway. zolmitriptan malignant_mesothelioma GAP_LOW 0.1377 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs malignant_mesothelioma targets. Cross-check zolmitriptan pharmacophore against malignant_mesothelioma pathway. talbutal ovarian_cancer GAP_LOW 0.1377 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs ovarian_cancer targets. Cross-check talbutal pharmacophore against ovarian_cancer pathway. talbutal psoriasis GAP_LOW 0.1377 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs psoriasis targets. Cross-check talbutal pharmacophore against psoriasis pathway. quazepam brain_cancer GAP_LOW 0.1377 0.058823529411764705 levorphanol Low-priority: Computational docking quazepam vs brain_cancer targets. Cross-check quazepam pharmacophore against brain_cancer pathway. amobarbital brain_cancer GAP_LOW 0.1377 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking amobarbital vs brain_cancer targets. Cross-check amobarbital pharmacophore against brain_cancer pathway. amobarbital intracranial_aneurysm GAP_LOW 0.1377 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking amobarbital vs intracranial_aneurysm targets. Cross-check amobarbital pharmacophore against intracranial_aneurysm pathway. aminolevulinic_acid alopecia_areata GAP_LOW 0.1377 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs alopecia_areata targets. Cross-check aminolevulinic_acid pharmacophore against alopecia_areata pathway. acepromazine systemic_scleroderma GAP_HIGH 0.1376 0.5 nortriptyline High-priority: Binding assay acepromazine→?; validate in systemic_scleroderma cell model. Expected: similar to nortriptyline (Jaccard=0.50) oxcarbazepine lung_cancer GAP_HIGH 0.1376 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) oxcarbazepine rectum_cancer GAP_HIGH 0.1376 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) masoprocol mediastinal_cancer GAP_HIGH 0.1376 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) diethylpropion coronary_artery_disease GAP_HIGH 0.1376 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) levonorgestrel thymus_cancer GAP_HIGH 0.1376 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in thymus_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) flurazepam creutzfeldt-jakob_disease GAP_HIGH 0.1376 0.26666666666666666 estazolam High-priority: Binding assay flurazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to estazolam (Jaccard=0.27) thalidomide malignant_mesothelioma GAP_HIGH 0.1376 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) hydromorphone urinary_bladder_cancer GAP_HIGH 0.1376 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in urinary_bladder_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) melatonin testicular_cancer GAP_HIGH 0.1376 0.25 clomifene High-priority: Binding assay melatonin→?; validate in testicular_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) melatonin vaginal_cancer GAP_HIGH 0.1376 0.25 clomifene High-priority: Binding assay melatonin→?; validate in vaginal_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) melatonin vulva_cancer GAP_HIGH 0.1376 0.25 clomifene High-priority: Binding assay melatonin→?; validate in vulva_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) salicylate-sodium leprosy GAP_HIGH 0.1376 0.23809523809523808 sulfapyridine High-priority: Binding assay salicylate-sodium→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.24) lapatinib atherosclerosis GAP_HIGH 0.1376 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) nandrolone_phenpropionate crohns_disease GAP_HIGH 0.1376 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in crohns_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) epinephrine lung_cancer GAP_HIGH 0.1376 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in lung_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) epinephrine rectum_cancer GAP_HIGH 0.1376 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in rectum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) antazoline alcohol_dependence GAP_HIGH 0.1376 0.21052631578947367 ethylmorphine High-priority: Binding assay antazoline→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.21) colchicine vitiligo GAP_HIGH 0.1376 0.2 dexamethasone High-priority: Binding assay colchicine→?; validate in vitiligo cell model. Expected: similar to dexamethasone (Jaccard=0.20) dienestrol brain_cancer GAP_HIGH 0.1376 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in brain_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) tioguanine alzheimers_disease GAP_HIGH 0.1376 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in alzheimers_disease cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine parkinsons_disease GAP_HIGH 0.1376 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in parkinsons_disease cell model. Expected: similar to moricizine (Jaccard=0.18) captopril pancreatic_cancer GAP_HIGH 0.1376 0.16666666666666666 danazol High-priority: Binding assay captopril→?; validate in pancreatic_cancer cell model. Expected: similar to danazol (Jaccard=0.17) streptozocin metabolic_syndrome_x GAP_HIGH 0.1376 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in metabolic_syndrome_x cell model. Expected: similar to pirbuterol (Jaccard=0.17) lercanidipine ocular_cancer GAP_HIGH 0.1376 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) telbivudine gout GAP_LOW 0.1376 0.14285714285714285 methotrexate Low-priority: Computational docking telbivudine vs gout targets. Cross-check telbivudine pharmacophore against gout pathway. eprosartan ankylosing_spondylitis GAP_LOW 0.1376 0.125 desipramine Low-priority: Computational docking eprosartan vs ankylosing_spondylitis targets. Cross-check eprosartan pharmacophore against ankylosing_spondylitis pathway. dihomo-gamma-linolenic_acid pancreatic_cancer GAP_LOW 0.1376 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs pancreatic_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against pancreatic_cancer pathway. primidone duodenum_cancer GAP_LOW 0.1376 0.09523809523809523 naftifine Low-priority: Computational docking primidone vs duodenum_cancer targets. Cross-check primidone pharmacophore against duodenum_cancer pathway. primidone gallbladder_cancer GAP_LOW 0.1376 0.09523809523809523 naftifine Low-priority: Computational docking primidone vs gallbladder_cancer targets. Cross-check primidone pharmacophore against gallbladder_cancer pathway. pentobarbital malignant_mesothelioma GAP_LOW 0.1376 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs malignant_mesothelioma targets. Cross-check pentobarbital pharmacophore against malignant_mesothelioma pathway. primidone gout GAP_LOW 0.1376 0.09090909090909091 fluticasone_propionate Low-priority: Computational docking primidone vs gout targets. Cross-check primidone pharmacophore against gout pathway. trimethoprim atherosclerosis GAP_LOW 0.1376 0.0625 olsalazine Low-priority: Computational docking trimethoprim vs atherosclerosis targets. Cross-check trimethoprim pharmacophore against atherosclerosis pathway. l-cystine ankylosing_spondylitis GAP_LOW 0.1376 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs ankylosing_spondylitis targets. Cross-check l-cystine pharmacophore against ankylosing_spondylitis pathway. atomoxetine melanoma GAP_HIGH 0.1375 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.44) oxcarbazepine liver_cancer GAP_HIGH 0.1375 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) oxcarbazepine parkinsons_disease GAP_HIGH 0.1375 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in parkinsons_disease cell model. Expected: similar to clozapine (Jaccard=0.38) dextroamphetamine ocular_cancer GAP_HIGH 0.1375 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) mitiglinide azoospermia GAP_HIGH 0.1375 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in azoospermia cell model. Expected: similar to nateglinide (Jaccard=0.33) estradiol_valeratedienogest ocular_cancer GAP_HIGH 0.1375 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in ocular_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) ziprasidone stomach_cancer GAP_HIGH 0.1375 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in stomach_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) sulfadiazine azoospermia GAP_HIGH 0.1375 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) cinchocaine ankylosing_spondylitis GAP_HIGH 0.1375 0.2608695652173913 flurazepam High-priority: Binding assay cinchocaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to flurazepam (Jaccard=0.26) hydromorphone attention_deficit_hyperactivity_disorder GAP_HIGH 0.1375 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.25) melatonin vascular_cancer GAP_HIGH 0.1375 0.25 clomifene High-priority: Binding assay melatonin→?; validate in vascular_cancer cell model. Expected: similar to clomifene (Jaccard=0.25) ponatinib prostate_cancer GAP_HIGH 0.1375 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in prostate_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) tioguanine amyotrophic_lateral_sclerosis GAP_HIGH 0.1375 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine autistic_disorder GAP_HIGH 0.1375 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in autistic_disorder cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine nicotine_dependence GAP_HIGH 0.1375 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in nicotine_dependence cell model. Expected: similar to moricizine (Jaccard=0.18) clofibrate uterine_cancer GAP_HIGH 0.1375 0.16666666666666666 mitiglinide High-priority: Binding assay clofibrate→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) l-aspartic_acid osteoarthritis GAP_HIGH 0.1375 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in osteoarthritis cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid skin_cancer GAP_HIGH 0.1375 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) aciclovir ankylosing_spondylitis GAP_LOW 0.1375 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs ankylosing_spondylitis targets. Cross-check aciclovir pharmacophore against ankylosing_spondylitis pathway. metolazone hepatitis_b GAP_LOW 0.1375 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs hepatitis_b targets. Cross-check metolazone pharmacophore against hepatitis_b pathway. oxyphenonium pharynx_cancer GAP_LOW 0.1375 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs pharynx_cancer targets. Cross-check oxyphenonium pharmacophore against pharynx_cancer pathway. zolmitriptan creutzfeldt-jakob_disease GAP_LOW 0.1375 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs creutzfeldt-jakob_disease targets. Cross-check zolmitriptan pharmacophore against creutzfeldt-jakob_disease pathway. zolmitriptan sclerosing_cholangitis GAP_LOW 0.1375 0.11764705882352941 sulfamethizole Low-priority: Computational docking zolmitriptan vs sclerosing_cholangitis targets. Cross-check zolmitriptan pharmacophore against sclerosing_cholangitis pathway. dihomo-gamma-linolenic_acid osteoporosis GAP_LOW 0.1375 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs osteoporosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against osteoporosis pathway. dihomo-gamma-linolenic_acid psoriasis GAP_LOW 0.1375 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs psoriasis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against psoriasis pathway. dihomo-gamma-linolenic_acid ulcerative_colitis GAP_LOW 0.1375 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs ulcerative_colitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against ulcerative_colitis pathway. gliquidone membranous_glomerulonephritis GAP_LOW 0.1375 0.1 aciclovir Low-priority: Computational docking gliquidone vs membranous_glomerulonephritis targets. Cross-check gliquidone pharmacophore against membranous_glomerulonephritis pathway. riboflavin colon_cancer GAP_LOW 0.1375 0.1 epirubicin Low-priority: Computational docking riboflavin vs colon_cancer targets. Cross-check riboflavin pharmacophore against colon_cancer pathway. calcium_acetate celiac_disease GAP_LOW 0.1375 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs celiac_disease targets. Cross-check calcium_acetate pharmacophore against celiac_disease pathway. heptabarbital alopecia_areata GAP_LOW 0.1375 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking heptabarbital vs alopecia_areata targets. Cross-check heptabarbital pharmacophore against alopecia_areata pathway. l-cystine thyroid_cancer GAP_LOW 0.1375 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs thyroid_cancer targets. Cross-check l-cystine pharmacophore against thyroid_cancer pathway. dimetacrine thyroid_cancer GAP_HIGH 0.1374 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in thyroid_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) promethazine sclerosing_cholangitis GAP_HIGH 0.1374 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.50) desipramine skin_cancer GAP_HIGH 0.1374 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.43) oxcarbazepine amyotrophic_lateral_sclerosis GAP_HIGH 0.1374 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clozapine (Jaccard=0.38) masoprocol thymus_cancer GAP_HIGH 0.1374 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) orphenadrine vaginal_cancer GAP_HIGH 0.1374 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in vaginal_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) orphenadrine vulva_cancer GAP_HIGH 0.1374 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in vulva_cancer cell model. Expected: similar to propiomazine (Jaccard=0.33) ziprasidone pancreatic_cancer GAP_HIGH 0.1374 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in pancreatic_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) ziprasidone ulcerative_colitis GAP_HIGH 0.1374 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in ulcerative_colitis cell model. Expected: similar to cyclizine (Jaccard=0.27) floxuridine kidney_cancer GAP_HIGH 0.1374 0.25 lamivudine High-priority: Binding assay floxuridine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) pomalidomide celiac_disease GAP_HIGH 0.1374 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) naloxone esophageal_cancer GAP_HIGH 0.1374 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in esophageal_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) phenylephrine celiac_disease GAP_HIGH 0.1374 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.22) epinephrine liver_cancer GAP_HIGH 0.1374 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in liver_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) methyclothiazide systemic_scleroderma GAP_HIGH 0.1374 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in systemic_scleroderma cell model. Expected: similar to etoricoxib (Jaccard=0.21) dasatinib larynx_cancer GAP_HIGH 0.1374 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) amlodipine stomach_cancer GAP_HIGH 0.1374 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) l-aspartic_acid vaginal_cancer GAP_HIGH 0.1374 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) l-aspartic_acid vulva_cancer GAP_HIGH 0.1374 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) l-ornithine uterine_fibroid GAP_LOW 0.1374 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs uterine_fibroid targets. Cross-check l-ornithine pharmacophore against uterine_fibroid pathway. conivaptan vascular_cancer GAP_LOW 0.1374 0.125 tenofovir Low-priority: Computational docking conivaptan vs vascular_cancer targets. Cross-check conivaptan pharmacophore against vascular_cancer pathway. eprosartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1374 0.125 cinnarizine Low-priority: Computational docking eprosartan vs chronic_obstructive_pulmonary_disease targets. Cross-check eprosartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. trimethoprim breast_cancer GAP_LOW 0.1374 0.125 alcaftadine Low-priority: Computational docking trimethoprim vs breast_cancer targets. Cross-check trimethoprim pharmacophore against breast_cancer pathway. dihomo-gamma-linolenic_acid migraine GAP_LOW 0.1374 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs migraine targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against migraine pathway. dihomo-gamma-linolenic_acid multiple_sclerosis GAP_LOW 0.1374 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs multiple_sclerosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against multiple_sclerosis pathway. dihomo-gamma-linolenic_acid ovarian_cancer GAP_LOW 0.1374 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs ovarian_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against ovarian_cancer pathway. glimepiride vascular_cancer GAP_LOW 0.1374 0.1111111111111111 aciclovir Low-priority: Computational docking glimepiride vs vascular_cancer targets. Cross-check glimepiride pharmacophore against vascular_cancer pathway. irbesartan epilepsy_syndrome GAP_LOW 0.1374 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs epilepsy_syndrome targets. Cross-check irbesartan pharmacophore against epilepsy_syndrome pathway. talbutal systemic_lupus_erythematosus GAP_LOW 0.1374 0.1 fluticasone_propionate Low-priority: Computational docking talbutal vs systemic_lupus_erythematosus targets. Cross-check talbutal pharmacophore against systemic_lupus_erythematosus pathway. ergocalciferol leprosy GAP_LOW 0.1374 0.08333333333333333 sulfamethizole Low-priority: Computational docking ergocalciferol vs leprosy targets. Cross-check ergocalciferol pharmacophore against leprosy pathway. glimepiride intracranial_aneurysm GAP_LOW 0.1374 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs intracranial_aneurysm targets. Cross-check glimepiride pharmacophore against intracranial_aneurysm pathway. pentobarbital glaucoma GAP_LOW 0.1374 0.07142857142857142 chlorphenesin Low-priority: Computational docking pentobarbital vs glaucoma targets. Cross-check pentobarbital pharmacophore against glaucoma pathway. l-cystine chronic_obstructive_pulmonary_disease GAP_LOW 0.1374 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs chronic_obstructive_pulmonary_disease targets. Cross-check l-cystine pharmacophore against chronic_obstructive_pulmonary_disease pathway. nitisinone malaria GAP_LOW 0.1374 0.038461538461538464 phenytoin Low-priority: Computational docking nitisinone vs malaria targets. Cross-check nitisinone pharmacophore against malaria pathway. aminoglutethimide bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking aminoglutethimide vs bone_cancer targets. Cross-check aminoglutethimide pharmacophore against bone_cancer pathway. glutethimide bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking glutethimide vs bone_cancer targets. Cross-check glutethimide pharmacophore against bone_cancer pathway. ibuprofen bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking ibuprofen vs bone_cancer targets. Cross-check ibuprofen pharmacophore against bone_cancer pathway. irbesartan bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking irbesartan vs bone_cancer targets. Cross-check irbesartan pharmacophore against bone_cancer pathway. losartan bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking losartan vs bone_cancer targets. Cross-check losartan pharmacophore against bone_cancer pathway. losartan gestational_diabetes GAP_LOW 0.1374 0.0 tolazamide Low-priority: Computational docking losartan vs gestational_diabetes targets. Cross-check losartan pharmacophore against gestational_diabetes pathway. methacholine bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking methacholine vs bone_cancer targets. Cross-check methacholine pharmacophore against bone_cancer pathway. methylphenobarbital bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking methylphenobarbital vs bone_cancer targets. Cross-check methylphenobarbital pharmacophore against bone_cancer pathway. valsartan bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking valsartan vs bone_cancer targets. Cross-check valsartan pharmacophore against bone_cancer pathway. zolmitriptan bone_cancer GAP_LOW 0.1374 0.0 ibandronate Low-priority: Computational docking zolmitriptan vs bone_cancer targets. Cross-check zolmitriptan pharmacophore against bone_cancer pathway. zolmitriptan gestational_diabetes GAP_LOW 0.1374 0.0 tolazamide Low-priority: Computational docking zolmitriptan vs gestational_diabetes targets. Cross-check zolmitriptan pharmacophore against gestational_diabetes pathway. propafenone pancreatitis GAP_HIGH 0.1373 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in pancreatitis cell model. Expected: similar to propranolol (Jaccard=0.39) oxazepam azoospermia GAP_HIGH 0.1373 0.3076923076923077 trifluoperazine High-priority: Binding assay oxazepam→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.31) flurbiprofen alcohol_dependence GAP_HIGH 0.1373 0.30612244897959184 mazindol High-priority: Binding assay flurbiprofen→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.31) tolmetin azoospermia GAP_HIGH 0.1373 0.3 naproxen High-priority: Binding assay tolmetin→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.30) ziprasidone uterine_cancer GAP_HIGH 0.1373 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in uterine_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) floxuridine prostate_cancer GAP_HIGH 0.1373 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in prostate_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) isocarboxazid ankylosing_spondylitis GAP_HIGH 0.1373 0.25 salicylic_acid High-priority: Binding assay isocarboxazid→?; validate in ankylosing_spondylitis cell model. Expected: similar to salicylic_acid (Jaccard=0.25) ponatinib mediastinal_cancer GAP_HIGH 0.1373 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in mediastinal_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) pemetrexed glaucoma GAP_HIGH 0.1373 0.2 dinoprost_tromethamine High-priority: Binding assay pemetrexed→?; validate in glaucoma cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.20) tolazoline focal_segmental_glomerulosclerosis GAP_HIGH 0.1373 0.2 terbinafine High-priority: Binding assay tolazoline→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to terbinafine (Jaccard=0.20) tioguanine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1373 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to moricizine (Jaccard=0.18) amlodipine pancreatic_cancer GAP_HIGH 0.1373 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) quinestrol conduct_disorder GAP_HIGH 0.1373 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.17) quinestrol panic_disorder GAP_HIGH 0.1373 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.17) quinestrol schizophrenia GAP_HIGH 0.1373 0.16666666666666666 dienestrol High-priority: Binding assay quinestrol→?; validate in schizophrenia cell model. Expected: similar to dienestrol (Jaccard=0.17) l-aspartic_acid testicular_cancer GAP_HIGH 0.1373 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) lercanidipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1373 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir epilepsy_syndrome GAP_LOW 0.1373 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs epilepsy_syndrome targets. Cross-check aciclovir pharmacophore against epilepsy_syndrome pathway. dinoprostone lung_cancer GAP_LOW 0.1373 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs lung_cancer targets. Cross-check dinoprostone pharmacophore against lung_cancer pathway. nilvadipine ankylosing_spondylitis GAP_LOW 0.1373 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nilvadipine vs ankylosing_spondylitis targets. Cross-check nilvadipine pharmacophore against ankylosing_spondylitis pathway. trimethoprim allergic_rhinitis GAP_LOW 0.1373 0.125 alcaftadine Low-priority: Computational docking trimethoprim vs allergic_rhinitis targets. Cross-check trimethoprim pharmacophore against allergic_rhinitis pathway. flutamide gout GAP_LOW 0.1373 0.1111111111111111 benzatropine Low-priority: Computational docking flutamide vs gout targets. Cross-check flutamide pharmacophore against gout pathway. eprosartan nephrolithiasis GAP_LOW 0.1373 0.1 procaine Low-priority: Computational docking eprosartan vs nephrolithiasis targets. Cross-check eprosartan pharmacophore against nephrolithiasis pathway. riboflavin ulcerative_colitis GAP_LOW 0.1373 0.1 epirubicin Low-priority: Computational docking riboflavin vs ulcerative_colitis targets. Cross-check riboflavin pharmacophore against ulcerative_colitis pathway. nicardipine glaucoma GAP_LOW 0.1373 0.09523809523809523 bevantolol Low-priority: Computational docking nicardipine vs glaucoma targets. Cross-check nicardipine pharmacophore against glaucoma pathway. carprofen hepatitis_b GAP_LOW 0.1373 0.09090909090909091 alvimopan Low-priority: Computational docking carprofen vs hepatitis_b targets. Cross-check carprofen pharmacophore against hepatitis_b pathway. eprosartan esophageal_cancer GAP_LOW 0.1373 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs esophageal_cancer targets. Cross-check eprosartan pharmacophore against esophageal_cancer pathway. benzthiazide malaria GAP_LOW 0.1373 0.08333333333333333 sulfamethizole Low-priority: Computational docking benzthiazide vs malaria targets. Cross-check benzthiazide pharmacophore against malaria pathway. pentobarbital type_1_diabetes_mellitus GAP_LOW 0.1373 0.06896551724137931 bezafibrate Low-priority: Computational docking pentobarbital vs type_1_diabetes_mellitus targets. Cross-check pentobarbital pharmacophore against type_1_diabetes_mellitus pathway. tauroursodeoxycholic_acid azoospermia GAP_LOW 0.1373 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs azoospermia targets. Cross-check tauroursodeoxycholic_acid pharmacophore against azoospermia pathway. phenobarbital dilated_cardiomyopathy GAP_LOW 0.1373 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs dilated_cardiomyopathy targets. Cross-check phenobarbital pharmacophore against dilated_cardiomyopathy pathway. quazepam dilated_cardiomyopathy GAP_LOW 0.1373 0.0 hydrocortisone Low-priority: Computational docking quazepam vs dilated_cardiomyopathy targets. Cross-check quazepam pharmacophore against dilated_cardiomyopathy pathway. tetracycline dilated_cardiomyopathy GAP_LOW 0.1373 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs dilated_cardiomyopathy targets. Cross-check tetracycline pharmacophore against dilated_cardiomyopathy pathway. thiamylal dilated_cardiomyopathy GAP_LOW 0.1373 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs dilated_cardiomyopathy targets. Cross-check thiamylal pharmacophore against dilated_cardiomyopathy pathway. propafenone salivary_gland_cancer GAP_HIGH 0.1372 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) dextroamphetamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1372 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) voacamine systemic_scleroderma GAP_HIGH 0.1372 0.3333333333333333 vinblastine High-priority: Binding assay voacamine→?; validate in systemic_scleroderma cell model. Expected: similar to vinblastine (Jaccard=0.33) exemestane dilated_cardiomyopathy GAP_HIGH 0.1372 0.29411764705882354 medrysone High-priority: Binding assay exemestane→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.29) alvimopan salivary_gland_cancer GAP_HIGH 0.1372 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) melatonin uterine_fibroid GAP_HIGH 0.1372 0.25 clomifene High-priority: Binding assay melatonin→?; validate in uterine_fibroid cell model. Expected: similar to clomifene (Jaccard=0.25) ponatinib primary_biliary_cirrhosis GAP_HIGH 0.1372 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sunitinib (Jaccard=0.25) dobutamine celiac_disease GAP_HIGH 0.1372 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in celiac_disease cell model. Expected: similar to mesalazine (Jaccard=0.22) phenformin malaria GAP_HIGH 0.1372 0.2222222222222222 tranylcypromine High-priority: Binding assay phenformin→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.22) sulfanilamide type_1_diabetes_mellitus GAP_HIGH 0.1372 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.22) difenoxin malaria GAP_HIGH 0.1372 0.20689655172413793 modafinil High-priority: Binding assay difenoxin→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) moexipril ankylosing_spondylitis GAP_HIGH 0.1372 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyclandelate (Jaccard=0.20) amlodipine multiple_sclerosis GAP_HIGH 0.1372 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in multiple_sclerosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) amlodipine osteoporosis GAP_HIGH 0.1372 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.17) amlodipine psoriasis GAP_HIGH 0.1372 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in psoriasis cell model. Expected: similar to clotrimazole (Jaccard=0.17) streptozocin obesity GAP_HIGH 0.1372 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in obesity cell model. Expected: similar to pirbuterol (Jaccard=0.17) l-aspartic_acid vascular_cancer GAP_HIGH 0.1372 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.16) dinoprostone liver_cancer GAP_LOW 0.1372 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs liver_cancer targets. Cross-check dinoprostone pharmacophore against liver_cancer pathway. conivaptan systemic_scleroderma GAP_LOW 0.1372 0.125 tenofovir Low-priority: Computational docking conivaptan vs systemic_scleroderma targets. Cross-check conivaptan pharmacophore against systemic_scleroderma pathway. eprosartan pancreatitis GAP_LOW 0.1372 0.125 cinnarizine Low-priority: Computational docking eprosartan vs pancreatitis targets. Cross-check eprosartan pharmacophore against pancreatitis pathway. naloxone gestational_diabetes GAP_LOW 0.1372 0.125 gliclazide Low-priority: Computational docking naloxone vs gestational_diabetes targets. Cross-check naloxone pharmacophore against gestational_diabetes pathway. dihomo-gamma-linolenic_acid systemic_lupus_erythematosus GAP_LOW 0.1372 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs systemic_lupus_erythematosus targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against systemic_lupus_erythematosus pathway. heptabarbital primary_biliary_cirrhosis GAP_LOW 0.1372 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs primary_biliary_cirrhosis targets. Cross-check heptabarbital pharmacophore against primary_biliary_cirrhosis pathway. aprobarbital penile_cancer GAP_LOW 0.1372 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs penile_cancer targets. Cross-check aprobarbital pharmacophore against penile_cancer pathway. butethal penile_cancer GAP_LOW 0.1372 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs penile_cancer targets. Cross-check butethal pharmacophore against penile_cancer pathway. l-cystine pancreatitis GAP_LOW 0.1372 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs pancreatitis targets. Cross-check l-cystine pharmacophore against pancreatitis pathway. dronedarone larynx_cancer GAP_LOW 0.1372 0.0 vinblastine Low-priority: Computational docking dronedarone vs larynx_cancer targets. Cross-check dronedarone pharmacophore against larynx_cancer pathway. l-cystine larynx_cancer GAP_LOW 0.1372 0.0 vinblastine Low-priority: Computational docking l-cystine vs larynx_cancer targets. Cross-check l-cystine pharmacophore against larynx_cancer pathway. orlistat larynx_cancer GAP_LOW 0.1372 0.0 vinblastine Low-priority: Computational docking orlistat vs larynx_cancer targets. Cross-check orlistat pharmacophore against larynx_cancer pathway. succinic_acid larynx_cancer GAP_LOW 0.1372 0.0 vinblastine Low-priority: Computational docking succinic_acid vs larynx_cancer targets. Cross-check succinic_acid pharmacophore against larynx_cancer pathway. diphenhydramine melanoma GAP_HIGH 0.1371 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in melanoma cell model. Expected: similar to clofedanol (Jaccard=0.53) desipramine vascular_cancer GAP_HIGH 0.1371 0.42857142857142855 alvimopan High-priority: Binding assay desipramine→?; validate in vascular_cancer cell model. Expected: similar to alvimopan (Jaccard=0.43) fluorometholone amyotrophic_lateral_sclerosis GAP_HIGH 0.1371 0.3157894736842105 fludrocortisone High-priority: Binding assay fluorometholone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.32) oxazepam membranous_glomerulonephritis GAP_HIGH 0.1371 0.3076923076923077 trifluoperazine High-priority: Binding assay oxazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.31) alvimopan muscle_cancer GAP_HIGH 0.1371 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) mepyramine duodenum_cancer GAP_HIGH 0.1371 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in duodenum_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) mepyramine gallbladder_cancer GAP_HIGH 0.1371 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in gallbladder_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) hydromorphone breast_cancer GAP_HIGH 0.1371 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in breast_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) hydromorphone colon_cancer GAP_HIGH 0.1371 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in colon_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) ponatinib thymus_cancer GAP_HIGH 0.1371 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in thymus_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) nandrolone_phenpropionate type_1_diabetes_mellitus GAP_HIGH 0.1371 0.21052631578947367 fludrocortisone High-priority: Binding assay nandrolone_phenpropionate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.21) moexipril chronic_obstructive_pulmonary_disease GAP_HIGH 0.1371 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to cyclandelate (Jaccard=0.20) zolpidem pancreatitis GAP_HIGH 0.1371 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in pancreatitis cell model. Expected: similar to bromfenac (Jaccard=0.20) amlodipine sarcoma GAP_HIGH 0.1371 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.17) anisindione azoospermia GAP_HIGH 0.1371 0.16666666666666666 propiomazine High-priority: Binding assay anisindione→?; validate in azoospermia cell model. Expected: similar to propiomazine (Jaccard=0.17) diclofenamide nephrolithiasis GAP_HIGH 0.1371 0.16666666666666666 polythiazide High-priority: Binding assay diclofenamide→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.17) quinestrol bipolar_disorder GAP_HIGH 0.1371 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.17) quinestrol endogenous_depression GAP_HIGH 0.1371 0.16666666666666666 levorphanol High-priority: Binding assay quinestrol→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.17) benzocaine acquired_immunodeficiency_syndrome GAP_LOW 0.1371 0.14285714285714285 emtricitabine Low-priority: Computational docking benzocaine vs acquired_immunodeficiency_syndrome targets. Cross-check benzocaine pharmacophore against acquired_immunodeficiency_syndrome pathway. estropipate nicotine_dependence GAP_LOW 0.1371 0.14285714285714285 l-tryptophan Low-priority: Computational docking estropipate vs nicotine_dependence targets. Cross-check estropipate pharmacophore against nicotine_dependence pathway. losartan breast_cancer GAP_LOW 0.1371 0.14285714285714285 topotecan Low-priority: Computational docking losartan vs breast_cancer targets. Cross-check losartan pharmacophore against breast_cancer pathway. losartan colon_cancer GAP_LOW 0.1371 0.14285714285714285 topotecan Low-priority: Computational docking losartan vs colon_cancer targets. Cross-check losartan pharmacophore against colon_cancer pathway. losartan stomach_cancer GAP_LOW 0.1371 0.14285714285714285 topotecan Low-priority: Computational docking losartan vs stomach_cancer targets. Cross-check losartan pharmacophore against stomach_cancer pathway. l-ornithine polycystic_ovary_syndrome GAP_LOW 0.1371 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs polycystic_ovary_syndrome targets. Cross-check l-ornithine pharmacophore against polycystic_ovary_syndrome pathway. pasireotide atopic_dermatitis GAP_LOW 0.1371 0.13333333333333333 zafirlukast Low-priority: Computational docking pasireotide vs atopic_dermatitis targets. Cross-check pasireotide pharmacophore against atopic_dermatitis pathway. pravastatin crohns_disease GAP_LOW 0.1371 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs crohns_disease targets. Cross-check pravastatin pharmacophore against crohns_disease pathway. talbutal attention_deficit_hyperactivity_disorder GAP_LOW 0.1371 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs attention_deficit_hyperactivity_disorder targets. Cross-check talbutal pharmacophore against attention_deficit_hyperactivity_disorder pathway. phenobarbital glaucoma GAP_LOW 0.1371 0.07407407407407407 bevantolol Low-priority: Computational docking phenobarbital vs glaucoma targets. Cross-check phenobarbital pharmacophore against glaucoma pathway. heptabarbital refractive_error GAP_LOW 0.1371 0.07142857142857142 chlorphenesin Low-priority: Computational docking heptabarbital vs refractive_error targets. Cross-check heptabarbital pharmacophore against refractive_error pathway. doxycycline atopic_dermatitis GAP_LOW 0.1371 0.06666666666666667 salicylate-sodium Low-priority: Computational docking doxycycline vs atopic_dermatitis targets. Cross-check doxycycline pharmacophore against atopic_dermatitis pathway. diphenhydramine meningioma GAP_HIGH 0.137 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.52) azelastine malaria GAP_HIGH 0.137 0.3333333333333333 butabarbital High-priority: Binding assay azelastine→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.33) orphenadrine uterine_fibroid GAP_HIGH 0.137 0.3333333333333333 propiomazine High-priority: Binding assay orphenadrine→?; validate in uterine_fibroid cell model. Expected: similar to propiomazine (Jaccard=0.33) chloroprocaine celiac_disease GAP_HIGH 0.137 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.31) raloxifene glaucoma GAP_HIGH 0.137 0.3 tafluprost High-priority: Binding assay raloxifene→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.30) thalidomide meningioma GAP_HIGH 0.137 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.27) danazol esophageal_cancer GAP_HIGH 0.137 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in esophageal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) nandrolone_phenpropionate primary_biliary_cirrhosis GAP_HIGH 0.137 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) metaraminol pharynx_cancer GAP_HIGH 0.137 0.2 topotecan High-priority: Binding assay metaraminol→?; validate in pharynx_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) norepinephrine membranous_glomerulonephritis GAP_HIGH 0.137 0.2 adefovir_dipivoxil High-priority: Binding assay norepinephrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to adefovir_dipivoxil (Jaccard=0.20) tioguanine asthma GAP_HIGH 0.137 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in asthma cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine breast_cancer GAP_HIGH 0.137 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in breast_cancer cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine conduct_disorder GAP_HIGH 0.137 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in conduct_disorder cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine panic_disorder GAP_HIGH 0.137 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in panic_disorder cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine schizophrenia GAP_HIGH 0.137 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in schizophrenia cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine azoospermia GAP_HIGH 0.137 0.16666666666666666 propericiazine High-priority: Binding assay tioguanine→?; validate in azoospermia cell model. Expected: similar to propericiazine (Jaccard=0.17) losartan pancreatic_cancer GAP_LOW 0.137 0.14285714285714285 topotecan Low-priority: Computational docking losartan vs pancreatic_cancer targets. Cross-check losartan pharmacophore against pancreatic_cancer pathway. nelarabine psoriasis GAP_LOW 0.137 0.14285714285714285 tioguanine Low-priority: Computational docking nelarabine vs psoriasis targets. Cross-check nelarabine pharmacophore against psoriasis pathway. ibuprofen hematologic_cancer GAP_LOW 0.137 0.13333333333333333 pomalidomide Low-priority: Computational docking ibuprofen vs hematologic_cancer targets. Cross-check ibuprofen pharmacophore against hematologic_cancer pathway. glipizide azoospermia GAP_LOW 0.137 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs azoospermia targets. Cross-check glipizide pharmacophore against azoospermia pathway. pentobarbital meningioma GAP_LOW 0.137 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs meningioma targets. Cross-check pentobarbital pharmacophore against meningioma pathway. quinacrine gestational_diabetes GAP_LOW 0.137 0.05405405405405406 bezafibrate Low-priority: Computational docking quinacrine vs gestational_diabetes targets. Cross-check quinacrine pharmacophore against gestational_diabetes pathway. acetylcysteine type_1_diabetes_mellitus GAP_LOW 0.137 0.043478260869565216 tolbutamide Low-priority: Computational docking acetylcysteine vs type_1_diabetes_mellitus targets. Cross-check acetylcysteine pharmacophore against type_1_diabetes_mellitus pathway. tolazamide leprosy GAP_LOW 0.137 0.03571428571428571 sulfapyridine Low-priority: Computational docking tolazamide vs leprosy targets. Cross-check tolazamide pharmacophore against leprosy pathway. succinic_acid membranous_glomerulonephritis GAP_LOW 0.137 0.02127659574468085 fenoprofen Low-priority: Computational docking succinic_acid vs membranous_glomerulonephritis targets. Cross-check succinic_acid pharmacophore against membranous_glomerulonephritis pathway. acetylcysteine acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking acetylcysteine vs acquired_immunodeficiency_syndrome targets. Cross-check acetylcysteine pharmacophore against acquired_immunodeficiency_syndrome pathway. afatinib hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking afatinib vs hypothyroidism targets. Cross-check afatinib pharmacophore against hypothyroidism pathway. amobarbital acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking amobarbital vs acquired_immunodeficiency_syndrome targets. Cross-check amobarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. chlorthalidone hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking chlorthalidone vs hypothyroidism targets. Cross-check chlorthalidone pharmacophore against hypothyroidism pathway. crizotinib hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking crizotinib vs hypothyroidism targets. Cross-check crizotinib pharmacophore against hypothyroidism pathway. dextrothyroxine acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking dextrothyroxine vs acquired_immunodeficiency_syndrome targets. Cross-check dextrothyroxine pharmacophore against acquired_immunodeficiency_syndrome pathway. diethylpropion hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking diethylpropion vs hypothyroidism targets. Cross-check diethylpropion pharmacophore against hypothyroidism pathway. dihomo-gamma-linolenic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking dihomo-gamma-linolenic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. l-phenylalanine hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking l-phenylalanine vs hypothyroidism targets. Cross-check l-phenylalanine pharmacophore against hypothyroidism pathway. lubiprostone acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking lubiprostone vs acquired_immunodeficiency_syndrome targets. Cross-check lubiprostone pharmacophore against acquired_immunodeficiency_syndrome pathway. orciprenaline hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking orciprenaline vs hypothyroidism targets. Cross-check orciprenaline pharmacophore against hypothyroidism pathway. pemetrexed hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking pemetrexed vs hypothyroidism targets. Cross-check pemetrexed pharmacophore against hypothyroidism pathway. penicillamine acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking penicillamine vs acquired_immunodeficiency_syndrome targets. Cross-check penicillamine pharmacophore against acquired_immunodeficiency_syndrome pathway. phenformin hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking phenformin vs hypothyroidism targets. Cross-check phenformin pharmacophore against hypothyroidism pathway. sodium_tetradecyl_sulfate acquired_immunodeficiency_syndrome GAP_LOW 0.137 0.0 mitiglinide Low-priority: Computational docking sodium_tetradecyl_sulfate vs acquired_immunodeficiency_syndrome targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against acquired_immunodeficiency_syndrome pathway. telbivudine hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking telbivudine vs hypothyroidism targets. Cross-check telbivudine pharmacophore against hypothyroidism pathway. terbutaline hypothyroidism GAP_LOW 0.137 0.0 methimazole Low-priority: Computational docking terbutaline vs hypothyroidism targets. Cross-check terbutaline pharmacophore against hypothyroidism pathway. clofedanol pharynx_cancer GAP_HIGH 0.1369 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.53) dimetacrine muscle_cancer GAP_HIGH 0.1369 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in muscle_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) alimemazine thyroid_cancer GAP_HIGH 0.1369 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) propafenone ocular_cancer GAP_HIGH 0.1369 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) mefenamic_acid celiac_disease GAP_HIGH 0.1369 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in celiac_disease cell model. Expected: similar to bromfenac (Jaccard=0.37) masoprocol azoospermia GAP_HIGH 0.1369 0.35714285714285715 ritodrine High-priority: Binding assay masoprocol→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.36) clonazepam skin_cancer GAP_HIGH 0.1369 0.34615384615384615 methdilazine High-priority: Binding assay clonazepam→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.35) alvimopan ocular_cancer GAP_HIGH 0.1369 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) dimetindene prostate_cancer GAP_HIGH 0.1369 0.2727272727272727 carbinoxamine High-priority: Binding assay dimetindene→?; validate in prostate_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) nitrazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1369 0.2727272727272727 chlorthalidone High-priority: Binding assay nitrazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.27) hydromorphone ulcerative_colitis GAP_HIGH 0.1369 0.25 naltrexone High-priority: Binding assay hydromorphone→?; validate in ulcerative_colitis cell model. Expected: similar to naltrexone (Jaccard=0.25) epinephrine asthma GAP_HIGH 0.1369 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.21) methyclothiazide vitiligo GAP_HIGH 0.1369 0.21428571428571427 etoricoxib High-priority: Binding assay methyclothiazide→?; validate in vitiligo cell model. Expected: similar to etoricoxib (Jaccard=0.21) tioguanine allergic_rhinitis GAP_HIGH 0.1369 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in allergic_rhinitis cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine atopic_dermatitis GAP_HIGH 0.1369 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in atopic_dermatitis cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine hypertension GAP_HIGH 0.1369 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in hypertension cell model. Expected: similar to moricizine (Jaccard=0.18) l-citrulline glaucoma GAP_HIGH 0.1369 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in glaucoma cell model. Expected: similar to l-serine (Jaccard=0.18) codeine type_1_diabetes_mellitus GAP_HIGH 0.1369 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.18) amlodipine systemic_lupus_erythematosus GAP_HIGH 0.1369 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.17) clofibrate vulva_cancer GAP_HIGH 0.1369 0.16666666666666666 mitiglinide High-priority: Binding assay clofibrate→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) tropicamide pharynx_cancer GAP_HIGH 0.1369 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) l-aspartic_acid uterine_fibroid GAP_HIGH 0.1369 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.16) oxyphenonium salivary_gland_cancer GAP_LOW 0.1369 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs salivary_gland_cancer targets. Cross-check oxyphenonium pharmacophore against salivary_gland_cancer pathway. l-ornithine rheumatoid_arthritis GAP_LOW 0.1369 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs rheumatoid_arthritis targets. Cross-check l-ornithine pharmacophore against rheumatoid_arthritis pathway. eprosartan lung_cancer GAP_LOW 0.1369 0.125 desipramine Low-priority: Computational docking eprosartan vs lung_cancer targets. Cross-check eprosartan pharmacophore against lung_cancer pathway. eprosartan rectum_cancer GAP_LOW 0.1369 0.125 desipramine Low-priority: Computational docking eprosartan vs rectum_cancer targets. Cross-check eprosartan pharmacophore against rectum_cancer pathway. zolmitriptan pancreatic_cancer GAP_LOW 0.1369 0.125 naproxen Low-priority: Computational docking zolmitriptan vs pancreatic_cancer targets. Cross-check zolmitriptan pharmacophore against pancreatic_cancer pathway. dihomo-gamma-linolenic_acid osteoarthritis GAP_LOW 0.1369 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs osteoarthritis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against osteoarthritis pathway. glimepiride pharynx_cancer GAP_LOW 0.1369 0.1 aspartame Low-priority: Computational docking glimepiride vs pharynx_cancer targets. Cross-check glimepiride pharmacophore against pharynx_cancer pathway. riboflavin systemic_lupus_erythematosus GAP_LOW 0.1369 0.1 epirubicin Low-priority: Computational docking riboflavin vs systemic_lupus_erythematosus targets. Cross-check riboflavin pharmacophore against systemic_lupus_erythematosus pathway. nilvadipine glaucoma GAP_LOW 0.1369 0.09523809523809523 bevantolol Low-priority: Computational docking nilvadipine vs glaucoma targets. Cross-check nilvadipine pharmacophore against glaucoma pathway. talbutal panic_disorder GAP_LOW 0.1369 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs panic_disorder targets. Cross-check talbutal pharmacophore against panic_disorder pathway. talbutal schizophrenia GAP_LOW 0.1369 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs schizophrenia targets. Cross-check talbutal pharmacophore against schizophrenia pathway. heptabarbital celiac_disease GAP_LOW 0.1369 0.07142857142857142 pseudoephedrine Low-priority: Computational docking heptabarbital vs celiac_disease targets. Cross-check heptabarbital pharmacophore against celiac_disease pathway. l-cystine lung_cancer GAP_LOW 0.1369 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs lung_cancer targets. Cross-check l-cystine pharmacophore against lung_cancer pathway. l-cystine ocular_cancer GAP_LOW 0.1369 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs ocular_cancer targets. Cross-check l-cystine pharmacophore against ocular_cancer pathway. l-cystine rectum_cancer GAP_LOW 0.1369 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs rectum_cancer targets. Cross-check l-cystine pharmacophore against rectum_cancer pathway. aminolevulinic_acid atherosclerosis GAP_LOW 0.1369 0.02 acetylsalicylic_acid Low-priority: Computational docking aminolevulinic_acid vs atherosclerosis targets. Cross-check aminolevulinic_acid pharmacophore against atherosclerosis pathway. promethazine thyroid_cancer GAP_HIGH 0.1368 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) oxcarbazepine stomach_cancer GAP_HIGH 0.1368 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) phenformin colon_cancer GAP_HIGH 0.1368 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in colon_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) podofilox kidney_cancer GAP_HIGH 0.1368 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in kidney_cancer cell model. Expected: similar to epirubicin (Jaccard=0.29) flurazepam melanoma GAP_HIGH 0.1368 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in melanoma cell model. Expected: similar to cinchocaine (Jaccard=0.26) dapsone pancreatitis GAP_HIGH 0.1368 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in pancreatitis cell model. Expected: similar to sulfapyridine (Jaccard=0.25) hydromorphone ovarian_cancer GAP_HIGH 0.1368 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in ovarian_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) hydromorphone uterine_cancer GAP_HIGH 0.1368 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in uterine_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) melatonin vitiligo GAP_HIGH 0.1368 0.25 montelukast High-priority: Binding assay melatonin→?; validate in vitiligo cell model. Expected: similar to montelukast (Jaccard=0.25) ziprasidone crohns_disease GAP_HIGH 0.1368 0.25 pirenzepine High-priority: Binding assay ziprasidone→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.25) tamsulosin mediastinal_cancer GAP_HIGH 0.1368 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) nandrolone_phenpropionate coronary_artery_disease GAP_HIGH 0.1368 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in coronary_artery_disease cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) norepinephrine germ_cell_cancer GAP_HIGH 0.1368 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) zolpidem lung_cancer GAP_HIGH 0.1368 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) zolpidem rectum_cancer GAP_HIGH 0.1368 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) tioguanine bipolar_disorder GAP_HIGH 0.1368 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in bipolar_disorder cell model. Expected: similar to moricizine (Jaccard=0.18) diclofenamide chronic_kidney_failure GAP_HIGH 0.1368 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in chronic_kidney_failure cell model. Expected: similar to indapamide (Jaccard=0.17) orciprenaline dilated_cardiomyopathy GAP_HIGH 0.1368 0.16666666666666666 milrinone High-priority: Binding assay orciprenaline→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.17) treprostinil creutzfeldt-jakob_disease GAP_LOW 0.1368 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs creutzfeldt-jakob_disease targets. Cross-check treprostinil pharmacophore against creutzfeldt-jakob_disease pathway. dienestrol alcohol_dependence GAP_LOW 0.1368 0.13333333333333333 levorphanol Low-priority: Computational docking dienestrol vs alcohol_dependence targets. Cross-check dienestrol pharmacophore against alcohol_dependence pathway. clofibrate brain_cancer GAP_LOW 0.1368 0.125 alclometasone Low-priority: Computational docking clofibrate vs brain_cancer targets. Cross-check clofibrate pharmacophore against brain_cancer pathway. clofibrate intracranial_aneurysm GAP_LOW 0.1368 0.125 alclometasone Low-priority: Computational docking clofibrate vs intracranial_aneurysm targets. Cross-check clofibrate pharmacophore against intracranial_aneurysm pathway. irbesartan alzheimers_disease GAP_LOW 0.1368 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs alzheimers_disease targets. Cross-check irbesartan pharmacophore against alzheimers_disease pathway. irbesartan parkinsons_disease GAP_LOW 0.1368 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs parkinsons_disease targets. Cross-check irbesartan pharmacophore against parkinsons_disease pathway. amphetamine atherosclerosis GAP_LOW 0.1368 0.1 phentermine Low-priority: Computational docking amphetamine vs atherosclerosis targets. Cross-check amphetamine pharmacophore against atherosclerosis pathway. talbutal asthma GAP_LOW 0.1368 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs asthma targets. Cross-check talbutal pharmacophore against asthma pathway. talbutal conduct_disorder GAP_LOW 0.1368 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs conduct_disorder targets. Cross-check talbutal pharmacophore against conduct_disorder pathway. riboflavin creutzfeldt-jakob_disease GAP_LOW 0.1368 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs creutzfeldt-jakob_disease targets. Cross-check riboflavin pharmacophore against creutzfeldt-jakob_disease pathway. tamsulosin leprosy GAP_LOW 0.1368 0.08333333333333333 sulfamethizole Low-priority: Computational docking tamsulosin vs leprosy targets. Cross-check tamsulosin pharmacophore against leprosy pathway. irbesartan brain_cancer GAP_LOW 0.1368 0.07692307692307693 doxorubicin Low-priority: Computational docking irbesartan vs brain_cancer targets. Cross-check irbesartan pharmacophore against brain_cancer pathway. irbesartan intracranial_aneurysm GAP_LOW 0.1368 0.07692307692307693 doxorubicin Low-priority: Computational docking irbesartan vs intracranial_aneurysm targets. Cross-check irbesartan pharmacophore against intracranial_aneurysm pathway. doxycycline migraine GAP_LOW 0.1368 0.06666666666666667 salicylate-sodium Low-priority: Computational docking doxycycline vs migraine targets. Cross-check doxycycline pharmacophore against migraine pathway. pentobarbital alopecia_areata GAP_LOW 0.1368 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking pentobarbital vs alopecia_areata targets. Cross-check pentobarbital pharmacophore against alopecia_areata pathway. amobarbital malignant_glioma GAP_LOW 0.1368 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking amobarbital vs malignant_glioma targets. Cross-check amobarbital pharmacophore against malignant_glioma pathway. aprobarbital alopecia_areata GAP_LOW 0.1368 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking aprobarbital vs alopecia_areata targets. Cross-check aprobarbital pharmacophore against alopecia_areata pathway. butethal alopecia_areata GAP_LOW 0.1368 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking butethal vs alopecia_areata targets. Cross-check butethal pharmacophore against alopecia_areata pathway. succinic_acid ulcerative_colitis GAP_LOW 0.1368 0.043478260869565216 crizotinib Low-priority: Computational docking succinic_acid vs ulcerative_colitis targets. Cross-check succinic_acid pharmacophore against ulcerative_colitis pathway. methohexital hepatitis_b GAP_LOW 0.1368 0.04 trandolapril Low-priority: Computational docking methohexital vs hepatitis_b targets. Cross-check methohexital pharmacophore against hepatitis_b pathway. succinic_acid lung_cancer GAP_LOW 0.1368 0.04 medrysone Low-priority: Computational docking succinic_acid vs lung_cancer targets. Cross-check succinic_acid pharmacophore against lung_cancer pathway. promethazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1367 0.5 benzatropine High-priority: Binding assay promethazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to benzatropine (Jaccard=0.50) oxcarbazepine pancreatic_cancer GAP_HIGH 0.1367 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) estradiol_valeratedienogest hypertension GAP_HIGH 0.1367 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in hypertension cell model. Expected: similar to exemestane (Jaccard=0.31) podofilox nephrolithiasis GAP_HIGH 0.1367 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in nephrolithiasis cell model. Expected: similar to epirubicin (Jaccard=0.29) ziprasidone testicular_cancer GAP_HIGH 0.1367 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in testicular_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) ziprasidone vaginal_cancer GAP_HIGH 0.1367 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in vaginal_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) ziprasidone vulva_cancer GAP_HIGH 0.1367 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in vulva_cancer cell model. Expected: similar to cyclizine (Jaccard=0.27) tamsulosin gout GAP_HIGH 0.1367 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in gout cell model. Expected: similar to fenoprofen (Jaccard=0.24) tamsulosin thymus_cancer GAP_HIGH 0.1367 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) tolazoline sclerosing_cholangitis GAP_HIGH 0.1367 0.22727272727272727 phenacemide High-priority: Binding assay tolazoline→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.23) ethotoin gilles_de_la_tourette_syndrome GAP_HIGH 0.1367 0.22580645161290322 azelastine High-priority: Binding assay ethotoin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to azelastine (Jaccard=0.23) isoetarine azoospermia GAP_HIGH 0.1367 0.2222222222222222 ritodrine High-priority: Binding assay isoetarine→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.22) epinephrine allergic_rhinitis GAP_HIGH 0.1367 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.21) epinephrine pancreatic_cancer GAP_HIGH 0.1367 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in pancreatic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) metaraminol thyroid_cancer GAP_HIGH 0.1367 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) tioguanine endogenous_depression GAP_HIGH 0.1367 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in endogenous_depression cell model. Expected: similar to moricizine (Jaccard=0.18) acenocoumarol alcohol_dependence GAP_HIGH 0.1367 0.1794871794871795 mazindol High-priority: Binding assay acenocoumarol→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.18) streptozocin liver_cancer GAP_HIGH 0.1367 0.15789473684210525 vidarabine High-priority: Binding assay streptozocin→?; validate in liver_cancer cell model. Expected: similar to vidarabine (Jaccard=0.16) aciclovir alzheimers_disease GAP_LOW 0.1367 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs alzheimers_disease targets. Cross-check aciclovir pharmacophore against alzheimers_disease pathway. aciclovir parkinsons_disease GAP_LOW 0.1367 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs parkinsons_disease targets. Cross-check aciclovir pharmacophore against parkinsons_disease pathway. eprosartan alzheimers_disease GAP_LOW 0.1367 0.125 desipramine Low-priority: Computational docking eprosartan vs alzheimers_disease targets. Cross-check eprosartan pharmacophore against alzheimers_disease pathway. eprosartan liver_cancer GAP_LOW 0.1367 0.125 desipramine Low-priority: Computational docking eprosartan vs liver_cancer targets. Cross-check eprosartan pharmacophore against liver_cancer pathway. eprosartan parkinsons_disease GAP_LOW 0.1367 0.125 desipramine Low-priority: Computational docking eprosartan vs parkinsons_disease targets. Cross-check eprosartan pharmacophore against parkinsons_disease pathway. candesartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1367 0.1111111111111111 dipivefrin Low-priority: Computational docking candesartan vs idiopathic_pulmonary_fibrosis targets. Cross-check candesartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. irbesartan autistic_disorder GAP_LOW 0.1367 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs autistic_disorder targets. Cross-check irbesartan pharmacophore against autistic_disorder pathway. pravastatin idiopathic_pulmonary_fibrosis GAP_LOW 0.1367 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs idiopathic_pulmonary_fibrosis targets. Cross-check pravastatin pharmacophore against idiopathic_pulmonary_fibrosis pathway. riboflavin skin_cancer GAP_LOW 0.1367 0.1 epirubicin Low-priority: Computational docking riboflavin vs skin_cancer targets. Cross-check riboflavin pharmacophore against skin_cancer pathway. talbutal bipolar_disorder GAP_LOW 0.1367 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs bipolar_disorder targets. Cross-check talbutal pharmacophore against bipolar_disorder pathway. calcium_acetate thyroid_cancer GAP_LOW 0.1367 0.09090909090909091 dextrothyroxine Low-priority: Computational docking calcium_acetate vs thyroid_cancer targets. Cross-check calcium_acetate pharmacophore against thyroid_cancer pathway. phenobarbital penile_cancer GAP_LOW 0.1367 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs penile_cancer targets. Cross-check phenobarbital pharmacophore against penile_cancer pathway. amobarbital pharynx_cancer GAP_LOW 0.1367 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs pharynx_cancer targets. Cross-check amobarbital pharmacophore against pharynx_cancer pathway. penicillamine pancreatic_cancer GAP_LOW 0.1367 0.06896551724137931 pargyline Low-priority: Computational docking penicillamine vs pancreatic_cancer targets. Cross-check penicillamine pharmacophore against pancreatic_cancer pathway. solifenacin atherosclerosis GAP_LOW 0.1367 0.043478260869565216 bezafibrate Low-priority: Computational docking solifenacin vs atherosclerosis targets. Cross-check solifenacin pharmacophore against atherosclerosis pathway. succinic_acid liver_cancer GAP_LOW 0.1367 0.04 medrysone Low-priority: Computational docking succinic_acid vs liver_cancer targets. Cross-check succinic_acid pharmacophore against liver_cancer pathway. l-cystine liver_cancer GAP_LOW 0.1367 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs liver_cancer targets. Cross-check l-cystine pharmacophore against liver_cancer pathway. atomoxetine thyroid_cancer GAP_HIGH 0.1366 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) naftifine prostate_cancer GAP_HIGH 0.1366 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in prostate_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) oxaprozin focal_segmental_glomerulosclerosis GAP_HIGH 0.1366 0.4 chlorthalidone High-priority: Binding assay oxaprozin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.40) propafenone peripheral_nervous_system_neoplasm GAP_HIGH 0.1366 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.39) propafenone urinary_bladder_cancer GAP_HIGH 0.1366 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in urinary_bladder_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) propiomazine gout GAP_HIGH 0.1366 0.375 promethazine High-priority: Binding assay propiomazine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.38) megestrol_acetate esophageal_cancer GAP_HIGH 0.1366 0.3333333333333333 betamethasone High-priority: Binding assay megestrol_acetate→?; validate in esophageal_cancer cell model. Expected: similar to betamethasone (Jaccard=0.33) alvimopan peripheral_nervous_system_neoplasm GAP_HIGH 0.1366 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.29) alvimopan urinary_bladder_cancer GAP_HIGH 0.1366 0.2857142857142857 aspartame High-priority: Binding assay alvimopan→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) atropine atherosclerosis GAP_HIGH 0.1366 0.25 clofibrate High-priority: Binding assay atropine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.25) nilotinib germ_cell_cancer GAP_HIGH 0.1366 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) zolpidem autistic_disorder GAP_HIGH 0.1366 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in autistic_disorder cell model. Expected: similar to bromfenac (Jaccard=0.20) zolpidem liver_cancer GAP_HIGH 0.1366 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) zolpidem nicotine_dependence GAP_HIGH 0.1366 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in nicotine_dependence cell model. Expected: similar to bromfenac (Jaccard=0.20) dopamine celiac_disease GAP_HIGH 0.1366 0.1875 methyldopa High-priority: Binding assay dopamine→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) tioguanine migraine GAP_HIGH 0.1366 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in migraine cell model. Expected: similar to moricizine (Jaccard=0.18) amlodipine testicular_cancer GAP_HIGH 0.1366 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) amlodipine vaginal_cancer GAP_HIGH 0.1366 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in vaginal_cancer cell model. Expected: similar to proparacaine (Jaccard=0.17) streptozocin polycystic_ovary_syndrome GAP_HIGH 0.1366 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirbuterol (Jaccard=0.17) streptozocin type_2_diabetes_mellitus GAP_HIGH 0.1366 0.16666666666666666 pirbuterol High-priority: Binding assay streptozocin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to pirbuterol (Jaccard=0.17) l-aspartic_acid polycystic_ovary_syndrome GAP_HIGH 0.1366 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.16) amlodipine pharynx_cancer GAP_HIGH 0.1366 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) captopril epilepsy_syndrome GAP_HIGH 0.1366 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.15) lercanidipine psoriasis GAP_HIGH 0.1366 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in psoriasis cell model. Expected: similar to ifenprodil (Jaccard=0.15) lercanidipine uterine_cancer GAP_HIGH 0.1366 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir amyotrophic_lateral_sclerosis GAP_LOW 0.1366 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs amyotrophic_lateral_sclerosis targets. Cross-check aciclovir pharmacophore against amyotrophic_lateral_sclerosis pathway. oxyphenonium ocular_cancer GAP_LOW 0.1366 0.14285714285714285 alendronate Low-priority: Computational docking oxyphenonium vs ocular_cancer targets. Cross-check oxyphenonium pharmacophore against ocular_cancer pathway. pomalidomide alcohol_dependence GAP_LOW 0.1366 0.14285714285714285 naloxone Low-priority: Computational docking pomalidomide vs alcohol_dependence targets. Cross-check pomalidomide pharmacophore against alcohol_dependence pathway. vorinostat refractive_error GAP_LOW 0.1366 0.14285714285714285 choline Low-priority: Computational docking vorinostat vs refractive_error targets. Cross-check vorinostat pharmacophore against refractive_error pathway. l-ornithine psoriatic_arthritis GAP_LOW 0.1366 0.13333333333333333 l-serine Low-priority: Computational docking l-ornithine vs psoriatic_arthritis targets. Cross-check l-ornithine pharmacophore against psoriatic_arthritis pathway. eprosartan amyotrophic_lateral_sclerosis GAP_LOW 0.1366 0.125 desipramine Low-priority: Computational docking eprosartan vs amyotrophic_lateral_sclerosis targets. Cross-check eprosartan pharmacophore against amyotrophic_lateral_sclerosis pathway. zolmitriptan pancreatitis GAP_LOW 0.1366 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs pancreatitis targets. Cross-check zolmitriptan pharmacophore against pancreatitis pathway. clonidine pagets_disease_of_bone GAP_LOW 0.1366 0.1 histamine_phosphate Low-priority: Computational docking clonidine vs pagets_disease_of_bone targets. Cross-check clonidine pharmacophore against pagets_disease_of_bone pathway. glimepiride epilepsy_syndrome GAP_LOW 0.1366 0.1 indapamide Low-priority: Computational docking glimepiride vs epilepsy_syndrome targets. Cross-check glimepiride pharmacophore against epilepsy_syndrome pathway. losartan refractive_error GAP_LOW 0.1366 0.1 epinephrine Low-priority: Computational docking losartan vs refractive_error targets. Cross-check losartan pharmacophore against refractive_error pathway. talbutal endogenous_depression GAP_LOW 0.1366 0.09523809523809523 ethotoin Low-priority: Computational docking talbutal vs endogenous_depression targets. Cross-check talbutal pharmacophore against endogenous_depression pathway. l-aspartic_acid atherosclerosis GAP_LOW 0.1366 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs atherosclerosis targets. Cross-check l-aspartic_acid pharmacophore against atherosclerosis pathway. calcitriol leprosy GAP_LOW 0.1366 0.07692307692307693 sulfamethizole Low-priority: Computational docking calcitriol vs leprosy targets. Cross-check calcitriol pharmacophore against leprosy pathway. glimepiride head_and_neck_cancer GAP_LOW 0.1366 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs head_and_neck_cancer targets. Cross-check glimepiride pharmacophore against head_and_neck_cancer pathway. glimepiride malignant_glioma GAP_LOW 0.1366 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs malignant_glioma targets. Cross-check glimepiride pharmacophore against malignant_glioma pathway. amobarbital type_1_diabetes_mellitus GAP_LOW 0.1366 0.047619047619047616 exemestane Low-priority: Computational docking amobarbital vs type_1_diabetes_mellitus targets. Cross-check amobarbital pharmacophore against type_1_diabetes_mellitus pathway. l-cystine urinary_bladder_cancer GAP_LOW 0.1366 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs urinary_bladder_cancer targets. Cross-check l-cystine pharmacophore against urinary_bladder_cancer pathway. dimetacrine peripheral_nervous_system_neoplasm GAP_HIGH 0.1365 0.5 toremifene High-priority: Binding assay dimetacrine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to toremifene (Jaccard=0.50) promethazine pancreatitis GAP_HIGH 0.1365 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in pancreatitis cell model. Expected: similar to tamoxifen (Jaccard=0.50) oxcarbazepine uterine_cancer GAP_HIGH 0.1365 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) vismodegib restless_legs_syndrome GAP_HIGH 0.1365 0.375 olsalazine High-priority: Binding assay vismodegib→?; validate in restless_legs_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.38) flurbiprofen malaria GAP_HIGH 0.1365 0.36666666666666664 butabarbital High-priority: Binding assay flurbiprofen→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.37) voacamine rheumatoid_arthritis GAP_HIGH 0.1365 0.3333333333333333 vinblastine High-priority: Binding assay voacamine→?; validate in rheumatoid_arthritis cell model. Expected: similar to vinblastine (Jaccard=0.33) diethylpropion primary_biliary_cirrhosis GAP_HIGH 0.1365 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.29) phenformin uterine_cancer GAP_HIGH 0.1365 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in uterine_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) cinolazepam narcolepsy GAP_HIGH 0.1365 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) dapsone lung_cancer GAP_HIGH 0.1365 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in lung_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) dapsone rectum_cancer GAP_HIGH 0.1365 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in rectum_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) ethylmorphine crohns_disease GAP_HIGH 0.1365 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in crohns_disease cell model. Expected: similar to bepridil (Jaccard=0.25) tamsulosin hematologic_cancer GAP_HIGH 0.1365 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in hematologic_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) epinephrine ovarian_cancer GAP_HIGH 0.1365 0.21428571428571427 olsalazine High-priority: Binding assay epinephrine→?; validate in ovarian_cancer cell model. Expected: similar to olsalazine (Jaccard=0.21) moexipril lung_cancer GAP_HIGH 0.1365 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in lung_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.20) amlodipine vascular_cancer GAP_HIGH 0.1365 0.16666666666666666 clotrimazole High-priority: Binding assay amlodipine→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.17) l-aspartic_acid panic_disorder GAP_HIGH 0.1365 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in panic_disorder cell model. Expected: similar to l-lysine (Jaccard=0.15) l-aspartic_acid schizophrenia GAP_HIGH 0.1365 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in schizophrenia cell model. Expected: similar to l-lysine (Jaccard=0.15) lercanidipine multiple_sclerosis GAP_HIGH 0.1365 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in multiple_sclerosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) amiloride attention_deficit_hyperactivity_disorder GAP_LOW 0.1365 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking amiloride vs attention_deficit_hyperactivity_disorder targets. Cross-check amiloride pharmacophore against attention_deficit_hyperactivity_disorder pathway. irbesartan attention_deficit_hyperactivity_disorder GAP_LOW 0.1365 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs attention_deficit_hyperactivity_disorder targets. Cross-check irbesartan pharmacophore against attention_deficit_hyperactivity_disorder pathway. pasireotide chronic_kidney_failure GAP_LOW 0.1365 0.1111111111111111 ergocalciferol Low-priority: Computational docking pasireotide vs chronic_kidney_failure targets. Cross-check pasireotide pharmacophore against chronic_kidney_failure pathway. methocarbamol malaria GAP_LOW 0.1365 0.10526315789473684 methylphenobarbital Low-priority: Computational docking methocarbamol vs malaria targets. Cross-check methocarbamol pharmacophore against malaria pathway. olmesartan celiac_disease GAP_LOW 0.1365 0.09090909090909091 cinnarizine Low-priority: Computational docking olmesartan vs celiac_disease targets. Cross-check olmesartan pharmacophore against celiac_disease pathway. travoprost atherosclerosis GAP_LOW 0.1365 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs atherosclerosis targets. Cross-check travoprost pharmacophore against atherosclerosis pathway. amiloride type_1_diabetes_mellitus GAP_LOW 0.1365 0.07692307692307693 vismodegib Low-priority: Computational docking amiloride vs type_1_diabetes_mellitus targets. Cross-check amiloride pharmacophore against type_1_diabetes_mellitus pathway. quinapril atherosclerosis GAP_LOW 0.1365 0.058823529411764705 salsalate Low-priority: Computational docking quinapril vs atherosclerosis targets. Cross-check quinapril pharmacophore against atherosclerosis pathway. riboflavin type_1_diabetes_mellitus GAP_LOW 0.1365 0.05 tioguanine Low-priority: Computational docking riboflavin vs type_1_diabetes_mellitus targets. Cross-check riboflavin pharmacophore against type_1_diabetes_mellitus pathway. methocarbamol leprosy GAP_LOW 0.1365 0.02040816326530612 phensuximide Low-priority: Computational docking methocarbamol vs leprosy targets. Cross-check methocarbamol pharmacophore against leprosy pathway. diphenhydramine gout GAP_HIGH 0.1364 0.5185185185185185 dimetacrine High-priority: Binding assay diphenhydramine→?; validate in gout cell model. Expected: similar to dimetacrine (Jaccard=0.52) alimemazine muscle_cancer GAP_HIGH 0.1364 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in muscle_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) naftifine mediastinal_cancer GAP_HIGH 0.1364 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in mediastinal_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) naftifine primary_biliary_cirrhosis GAP_HIGH 0.1364 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.43) chloroprocaine vitiligo GAP_HIGH 0.1364 0.35714285714285715 tranylcypromine High-priority: Binding assay chloroprocaine→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.36) clonazepam vascular_cancer GAP_HIGH 0.1364 0.3448275862068966 chlorpromazine High-priority: Binding assay clonazepam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.34) dextroamphetamine ovarian_cancer GAP_HIGH 0.1364 0.3333333333333333 phenylpropanolamine High-priority: Binding assay dextroamphetamine→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) diethylpropion sclerosing_cholangitis GAP_HIGH 0.1364 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) epirubicin prostate_cancer GAP_HIGH 0.1364 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in prostate_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) phenformin sarcoma GAP_HIGH 0.1364 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in sarcoma cell model. Expected: similar to l-tryptophan (Jaccard=0.29) dimetindene hematologic_cancer GAP_HIGH 0.1364 0.2727272727272727 carbinoxamine High-priority: Binding assay dimetindene→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) dapsone liver_cancer GAP_HIGH 0.1364 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in liver_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) isocarboxazid liver_cancer GAP_HIGH 0.1364 0.25 mitiglinide High-priority: Binding assay isocarboxazid→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.25) levomilnacipran mediastinal_cancer GAP_HIGH 0.1364 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) phenformin kidney_cancer GAP_HIGH 0.1364 0.25 acetaminophen High-priority: Binding assay phenformin→?; validate in kidney_cancer cell model. Expected: similar to acetaminophen (Jaccard=0.25) salbutamol crohns_disease GAP_HIGH 0.1364 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.25) ziprasidone prostate_cancer GAP_HIGH 0.1364 0.25 pirenzepine High-priority: Binding assay ziprasidone→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.25) zolpidem peripheral_nervous_system_neoplasm GAP_HIGH 0.1364 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.20) codeine azoospermia GAP_HIGH 0.1364 0.1875 bepridil High-priority: Binding assay codeine→?; validate in azoospermia cell model. Expected: similar to bepridil (Jaccard=0.19) l-aspartic_acid rheumatoid_arthritis GAP_HIGH 0.1364 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.16) methocarbamol hematologic_cancer GAP_HIGH 0.1364 0.15384615384615385 l-phenylalanine High-priority: Binding assay methocarbamol→?; validate in hematologic_cancer cell model. Expected: similar to l-phenylalanine (Jaccard=0.15) tolazamide germ_cell_cancer GAP_LOW 0.1364 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs germ_cell_cancer targets. Cross-check tolazamide pharmacophore against germ_cell_cancer pathway. dinoprostone pancreatic_cancer GAP_LOW 0.1364 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs pancreatic_cancer targets. Cross-check dinoprostone pharmacophore against pancreatic_cancer pathway. l-arginine focal_segmental_glomerulosclerosis GAP_LOW 0.1364 0.125 bumetanide Low-priority: Computational docking l-arginine vs focal_segmental_glomerulosclerosis targets. Cross-check l-arginine pharmacophore against focal_segmental_glomerulosclerosis pathway. zolmitriptan metabolic_syndrome_x GAP_LOW 0.1364 0.125 naproxen Low-priority: Computational docking zolmitriptan vs metabolic_syndrome_x targets. Cross-check zolmitriptan pharmacophore against metabolic_syndrome_x pathway. captopril kidney_cancer GAP_LOW 0.1364 0.11764705882352941 gliclazide Low-priority: Computational docking captopril vs kidney_cancer targets. Cross-check captopril pharmacophore against kidney_cancer pathway. captopril glaucoma GAP_LOW 0.1364 0.1111111111111111 dinoprost_tromethamine Low-priority: Computational docking captopril vs glaucoma targets. Cross-check captopril pharmacophore against glaucoma pathway. zolmitriptan prostate_cancer GAP_LOW 0.1364 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs prostate_cancer targets. Cross-check zolmitriptan pharmacophore against prostate_cancer pathway. gliquidone chronic_kidney_failure GAP_LOW 0.1364 0.09090909090909091 indapamide Low-priority: Computational docking gliquidone vs chronic_kidney_failure targets. Cross-check gliquidone pharmacophore against chronic_kidney_failure pathway. aprobarbital meningioma GAP_LOW 0.1364 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs meningioma targets. Cross-check aprobarbital pharmacophore against meningioma pathway. butethal meningioma GAP_LOW 0.1364 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs meningioma targets. Cross-check butethal pharmacophore against meningioma pathway. gliquidone gilles_de_la_tourette_syndrome GAP_LOW 0.1364 0.08333333333333333 alvimopan Low-priority: Computational docking gliquidone vs gilles_de_la_tourette_syndrome targets. Cross-check gliquidone pharmacophore against gilles_de_la_tourette_syndrome pathway. glimepiride refractive_error GAP_LOW 0.1364 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs refractive_error targets. Cross-check glimepiride pharmacophore against refractive_error pathway. ibuprofen hepatitis_b GAP_LOW 0.1364 0.07692307692307693 mitiglinide Low-priority: Computational docking ibuprofen vs hepatitis_b targets. Cross-check ibuprofen pharmacophore against hepatitis_b pathway. butabarbital head_and_neck_cancer GAP_LOW 0.1364 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs head_and_neck_cancer targets. Cross-check butabarbital pharmacophore against head_and_neck_cancer pathway. ephedrine leprosy GAP_LOW 0.1364 0.06666666666666667 phensuximide Low-priority: Computational docking ephedrine vs leprosy targets. Cross-check ephedrine pharmacophore against leprosy pathway. candesartan acquired_immunodeficiency_syndrome GAP_LOW 0.1364 0.04 vidarabine Low-priority: Computational docking candesartan vs acquired_immunodeficiency_syndrome targets. Cross-check candesartan pharmacophore against acquired_immunodeficiency_syndrome pathway. atenolol pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking atenolol vs pagets_disease_of_bone targets. Cross-check atenolol pharmacophore against pagets_disease_of_bone pathway. calcitriol pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking calcitriol vs pagets_disease_of_bone targets. Cross-check calcitriol pharmacophore against pagets_disease_of_bone pathway. calcium_acetate leprosy GAP_LOW 0.1364 0.0 sulfapyridine Low-priority: Computational docking calcium_acetate vs leprosy targets. Cross-check calcium_acetate pharmacophore against leprosy pathway. conjugated_estrogens pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking conjugated_estrogens vs pagets_disease_of_bone targets. Cross-check conjugated_estrogens pharmacophore against pagets_disease_of_bone pathway. ergocalciferol pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking ergocalciferol vs pagets_disease_of_bone targets. Cross-check ergocalciferol pharmacophore against pagets_disease_of_bone pathway. hydrochlorothiazide pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking hydrochlorothiazide vs pagets_disease_of_bone targets. Cross-check hydrochlorothiazide pharmacophore against pagets_disease_of_bone pathway. isradipine leprosy GAP_LOW 0.1364 0.0 sulfapyridine Low-priority: Computational docking isradipine vs leprosy targets. Cross-check isradipine pharmacophore against leprosy pathway. ospemifene pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking ospemifene vs pagets_disease_of_bone targets. Cross-check ospemifene pharmacophore against pagets_disease_of_bone pathway. propofol lymphatic_system_cancer GAP_LOW 0.1364 0.0 vinblastine Low-priority: Computational docking propofol vs lymphatic_system_cancer targets. Cross-check propofol pharmacophore against lymphatic_system_cancer pathway. remifentanil pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking remifentanil vs pagets_disease_of_bone targets. Cross-check remifentanil pharmacophore against pagets_disease_of_bone pathway. telmisartan pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking telmisartan vs pagets_disease_of_bone targets. Cross-check telmisartan pharmacophore against pagets_disease_of_bone pathway. tropicamide pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking tropicamide vs pagets_disease_of_bone targets. Cross-check tropicamide pharmacophore against pagets_disease_of_bone pathway. vitamin_a pagets_disease_of_bone GAP_LOW 0.1364 0.0 ibandronate Low-priority: Computational docking vitamin_a vs pagets_disease_of_bone targets. Cross-check vitamin_a pharmacophore against pagets_disease_of_bone pathway. clofedanol salivary_gland_cancer GAP_HIGH 0.1363 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.53) promethazine muscle_cancer GAP_HIGH 0.1363 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) thioproperazine malignant_mesothelioma GAP_HIGH 0.1363 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.50) naftifine thymus_cancer GAP_HIGH 0.1363 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in thymus_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) brompheniramine lung_cancer GAP_HIGH 0.1363 0.375 carbinoxamine High-priority: Binding assay brompheniramine→?; validate in lung_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.38) tolazoline ankylosing_spondylitis GAP_HIGH 0.1363 0.22727272727272727 phenacemide High-priority: Binding assay tolazoline→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.23) melatonin narcolepsy GAP_HIGH 0.1363 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in narcolepsy cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) naloxone glaucoma GAP_HIGH 0.1363 0.2222222222222222 dinoprostone High-priority: Binding assay naloxone→?; validate in glaucoma cell model. Expected: similar to dinoprostone (Jaccard=0.22) dipivefrin type_1_diabetes_mellitus GAP_HIGH 0.1363 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.20) flavin_adenine_dinucleotide ankylosing_spondylitis GAP_HIGH 0.1363 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) tioguanine metabolic_syndrome_x GAP_HIGH 0.1363 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in metabolic_syndrome_x cell model. Expected: similar to moricizine (Jaccard=0.18) tropicamide salivary_gland_cancer GAP_HIGH 0.1363 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) zolpidem glaucoma GAP_HIGH 0.1363 0.16666666666666666 methacholine High-priority: Binding assay zolpidem→?; validate in glaucoma cell model. Expected: similar to methacholine (Jaccard=0.17) nisoldipine focal_segmental_glomerulosclerosis GAP_LOW 0.1363 0.125 metolazone Low-priority: Computational docking nisoldipine vs focal_segmental_glomerulosclerosis targets. Cross-check nisoldipine pharmacophore against focal_segmental_glomerulosclerosis pathway. zolmitriptan skin_cancer GAP_LOW 0.1363 0.125 naproxen Low-priority: Computational docking zolmitriptan vs skin_cancer targets. Cross-check zolmitriptan pharmacophore against skin_cancer pathway. zolmitriptan lung_cancer GAP_LOW 0.1363 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs lung_cancer targets. Cross-check zolmitriptan pharmacophore against lung_cancer pathway. zolmitriptan rectum_cancer GAP_LOW 0.1363 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs rectum_cancer targets. Cross-check zolmitriptan pharmacophore against rectum_cancer pathway. glimepiride salivary_gland_cancer GAP_LOW 0.1363 0.1 aspartame Low-priority: Computational docking glimepiride vs salivary_gland_cancer targets. Cross-check glimepiride pharmacophore against salivary_gland_cancer pathway. riboflavin systemic_scleroderma GAP_LOW 0.1363 0.1 epirubicin Low-priority: Computational docking riboflavin vs systemic_scleroderma targets. Cross-check riboflavin pharmacophore against systemic_scleroderma pathway. riboflavin ankylosing_spondylitis GAP_LOW 0.1363 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs ankylosing_spondylitis targets. Cross-check riboflavin pharmacophore against ankylosing_spondylitis pathway. aprobarbital celiac_disease GAP_LOW 0.1363 0.06896551724137931 pseudoephedrine Low-priority: Computational docking aprobarbital vs celiac_disease targets. Cross-check aprobarbital pharmacophore against celiac_disease pathway. butethal celiac_disease GAP_LOW 0.1363 0.06896551724137931 pseudoephedrine Low-priority: Computational docking butethal vs celiac_disease targets. Cross-check butethal pharmacophore against celiac_disease pathway. mesalazine ulcerative_colitis GAP_HIGH 0.1362 0.5 aminosalicylic_acid High-priority: Binding assay mesalazine→?; validate in ulcerative_colitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.50) progesterone uterine_cancer GAP_HIGH 0.1362 0.5 testosterone_propionate High-priority: Binding assay progesterone→?; validate in uterine_cancer cell model. Expected: similar to testosterone_propionate (Jaccard=0.50) ziprasidone uterine_fibroid GAP_HIGH 0.1362 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in uterine_fibroid cell model. Expected: similar to cyclizine (Jaccard=0.27) dapsone peripheral_nervous_system_neoplasm GAP_HIGH 0.1362 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to sulfapyridine (Jaccard=0.25) estazolam focal_segmental_glomerulosclerosis GAP_HIGH 0.1362 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.25) hydromorphone testicular_cancer GAP_HIGH 0.1362 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in testicular_cancer cell model. Expected: similar to dextromethorphan (Jaccard=0.25) levomilnacipran thymus_cancer GAP_HIGH 0.1362 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) pomalidomide azoospermia GAP_HIGH 0.1362 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) ponatinib melanoma GAP_HIGH 0.1362 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in melanoma cell model. Expected: similar to sunitinib (Jaccard=0.25) moexipril peripheral_nervous_system_neoplasm GAP_HIGH 0.1362 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclandelate (Jaccard=0.20) norepinephrine penile_cancer GAP_HIGH 0.1362 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) amlodipine uterine_fibroid GAP_HIGH 0.1362 0.16666666666666666 proparacaine High-priority: Binding assay amlodipine→?; validate in uterine_fibroid cell model. Expected: similar to proparacaine (Jaccard=0.17) l-arginine asthma GAP_HIGH 0.1362 0.16666666666666666 danazol High-priority: Binding assay l-arginine→?; validate in asthma cell model. Expected: similar to danazol (Jaccard=0.17) l-arginine breast_cancer GAP_HIGH 0.1362 0.16666666666666666 danazol High-priority: Binding assay l-arginine→?; validate in breast_cancer cell model. Expected: similar to danazol (Jaccard=0.17) amlodipine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1362 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.15) conjugated_estrogens dilated_cardiomyopathy GAP_LOW 0.1362 0.14285714285714285 drospirenone Low-priority: Computational docking conjugated_estrogens vs dilated_cardiomyopathy targets. Cross-check conjugated_estrogens pharmacophore against dilated_cardiomyopathy pathway. benazepril chronic_obstructive_pulmonary_disease GAP_LOW 0.1362 0.125 epinephrine Low-priority: Computational docking benazepril vs chronic_obstructive_pulmonary_disease targets. Cross-check benazepril pharmacophore against chronic_obstructive_pulmonary_disease pathway. dihomo-gamma-linolenic_acid restless_legs_syndrome GAP_LOW 0.1362 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs restless_legs_syndrome targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against restless_legs_syndrome pathway. irbesartan asthma GAP_LOW 0.1362 0.1111111111111111 danazol Low-priority: Computational docking irbesartan vs asthma targets. Cross-check irbesartan pharmacophore against asthma pathway. l-ornithine crohns_disease GAP_LOW 0.1362 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs crohns_disease targets. Cross-check l-ornithine pharmacophore against crohns_disease pathway. zolmitriptan mediastinal_cancer GAP_LOW 0.1362 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs mediastinal_cancer targets. Cross-check zolmitriptan pharmacophore against mediastinal_cancer pathway. dinoprostone esophageal_cancer GAP_LOW 0.1362 0.09090909090909091 dexamethasone Low-priority: Computational docking dinoprostone vs esophageal_cancer targets. Cross-check dinoprostone pharmacophore against esophageal_cancer pathway. talbutal narcolepsy GAP_LOW 0.1362 0.08 phenytoin Low-priority: Computational docking talbutal vs narcolepsy targets. Cross-check talbutal pharmacophore against narcolepsy pathway. pentobarbital refractive_error GAP_LOW 0.1362 0.07142857142857142 chlorphenesin Low-priority: Computational docking pentobarbital vs refractive_error targets. Cross-check pentobarbital pharmacophore against refractive_error pathway. butabarbital nephrolithiasis GAP_LOW 0.1362 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs nephrolithiasis targets. Cross-check butabarbital pharmacophore against nephrolithiasis pathway. candesartan atherosclerosis GAP_LOW 0.1362 0.058823529411764705 phenylpropanolamine Low-priority: Computational docking candesartan vs atherosclerosis targets. Cross-check candesartan pharmacophore against atherosclerosis pathway. diphenhydramine thyroid_cancer GAP_HIGH 0.1361 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in thyroid_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) atomoxetine muscle_cancer GAP_HIGH 0.1361 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) naftifine hematologic_cancer GAP_HIGH 0.1361 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in hematologic_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) ketorolac crohns_disease GAP_HIGH 0.1361 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.31) bromodiphenhydramine esophageal_cancer GAP_HIGH 0.1361 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) thalidomide mediastinal_cancer GAP_HIGH 0.1361 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) aspartame sclerosing_cholangitis GAP_HIGH 0.1361 0.25 ritonavir High-priority: Binding assay aspartame→?; validate in sclerosing_cholangitis cell model. Expected: similar to ritonavir (Jaccard=0.25) levomilnacipran hematologic_cancer GAP_HIGH 0.1361 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) atenolol prostate_cancer GAP_HIGH 0.1361 0.24242424242424243 fenoprofen High-priority: Binding assay atenolol→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) desogestrel malignant_mesothelioma GAP_HIGH 0.1361 0.22727272727272727 hydrocortisone High-priority: Binding assay desogestrel→?; validate in malignant_mesothelioma cell model. Expected: similar to hydrocortisone (Jaccard=0.23) etonogestrel esophageal_cancer GAP_HIGH 0.1361 0.2222222222222222 dexamethasone High-priority: Binding assay etonogestrel→?; validate in esophageal_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.22) benzocaine membranous_glomerulonephritis GAP_HIGH 0.1361 0.2 telbivudine High-priority: Binding assay benzocaine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to telbivudine (Jaccard=0.20) epirubicin dilated_cardiomyopathy GAP_HIGH 0.1361 0.2 ciprofloxacin High-priority: Binding assay epirubicin→?; validate in dilated_cardiomyopathy cell model. Expected: similar to ciprofloxacin (Jaccard=0.20) pemetrexed refractive_error GAP_HIGH 0.1361 0.2 dinoprost_tromethamine High-priority: Binding assay pemetrexed→?; validate in refractive_error cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.20) flavin_adenine_dinucleotide type_1_diabetes_mellitus GAP_HIGH 0.1361 0.16666666666666666 tioguanine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.17) pentostatin ankylosing_spondylitis GAP_HIGH 0.1361 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) l-aspartic_acid psoriatic_arthritis GAP_HIGH 0.1361 0.16129032258064516 l-serine High-priority: Binding assay l-aspartic_acid→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.16) lercanidipine skin_cancer GAP_HIGH 0.1361 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir asthma GAP_LOW 0.1361 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs asthma targets. Cross-check aciclovir pharmacophore against asthma pathway. nisoldipine kidney_cancer GAP_LOW 0.1361 0.13333333333333333 proparacaine Low-priority: Computational docking nisoldipine vs kidney_cancer targets. Cross-check nisoldipine pharmacophore against kidney_cancer pathway. nicardipine ulcerative_colitis GAP_LOW 0.1361 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nicardipine vs ulcerative_colitis targets. Cross-check nicardipine pharmacophore against ulcerative_colitis pathway. eprosartan asthma GAP_LOW 0.1361 0.125 desipramine Low-priority: Computational docking eprosartan vs asthma targets. Cross-check eprosartan pharmacophore against asthma pathway. eprosartan atopic_dermatitis GAP_LOW 0.1361 0.125 desipramine Low-priority: Computational docking eprosartan vs atopic_dermatitis targets. Cross-check eprosartan pharmacophore against atopic_dermatitis pathway. eprosartan breast_cancer GAP_LOW 0.1361 0.125 desipramine Low-priority: Computational docking eprosartan vs breast_cancer targets. Cross-check eprosartan pharmacophore against breast_cancer pathway. eprosartan colon_cancer GAP_LOW 0.1361 0.125 desipramine Low-priority: Computational docking eprosartan vs colon_cancer targets. Cross-check eprosartan pharmacophore against colon_cancer pathway. sulfanilamide gestational_diabetes GAP_LOW 0.1361 0.125 glisoxepide Low-priority: Computational docking sulfanilamide vs gestational_diabetes targets. Cross-check sulfanilamide pharmacophore against gestational_diabetes pathway. zolmitriptan amyotrophic_lateral_sclerosis GAP_LOW 0.1361 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs amyotrophic_lateral_sclerosis targets. Cross-check zolmitriptan pharmacophore against amyotrophic_lateral_sclerosis pathway. zolmitriptan liver_cancer GAP_LOW 0.1361 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs liver_cancer targets. Cross-check zolmitriptan pharmacophore against liver_cancer pathway. zolmitriptan nicotine_dependence GAP_LOW 0.1361 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs nicotine_dependence targets. Cross-check zolmitriptan pharmacophore against nicotine_dependence pathway. irbesartan allergic_rhinitis GAP_LOW 0.1361 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs allergic_rhinitis targets. Cross-check irbesartan pharmacophore against allergic_rhinitis pathway. irbesartan breast_cancer GAP_LOW 0.1361 0.1111111111111111 danazol Low-priority: Computational docking irbesartan vs breast_cancer targets. Cross-check irbesartan pharmacophore against breast_cancer pathway. zolmitriptan thymus_cancer GAP_LOW 0.1361 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs thymus_cancer targets. Cross-check zolmitriptan pharmacophore against thymus_cancer pathway. pentobarbital mediastinal_cancer GAP_LOW 0.1361 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs mediastinal_cancer targets. Cross-check pentobarbital pharmacophore against mediastinal_cancer pathway. pentobarbital primary_biliary_cirrhosis GAP_LOW 0.1361 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs primary_biliary_cirrhosis targets. Cross-check pentobarbital pharmacophore against primary_biliary_cirrhosis pathway. riboflavin epilepsy_syndrome GAP_LOW 0.1361 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs epilepsy_syndrome targets. Cross-check riboflavin pharmacophore against epilepsy_syndrome pathway. irbesartan type_1_diabetes_mellitus GAP_LOW 0.1361 0.07142857142857142 gliclazide Low-priority: Computational docking irbesartan vs type_1_diabetes_mellitus targets. Cross-check irbesartan pharmacophore against type_1_diabetes_mellitus pathway. riboflavin glaucoma GAP_LOW 0.1361 0.05 methacholine Low-priority: Computational docking riboflavin vs glaucoma targets. Cross-check riboflavin pharmacophore against glaucoma pathway. l-cystine atopic_dermatitis GAP_LOW 0.1361 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs atopic_dermatitis targets. Cross-check l-cystine pharmacophore against atopic_dermatitis pathway. alcaftadine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking alcaftadine vs hypothyroidism targets. Cross-check alcaftadine pharmacophore against hypothyroidism pathway. anileridine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking anileridine vs hypothyroidism targets. Cross-check anileridine pharmacophore against hypothyroidism pathway. anisotropine_methylbromide hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking anisotropine_methylbromide vs hypothyroidism targets. Cross-check anisotropine_methylbromide pharmacophore against hypothyroidism pathway. arbutamine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking arbutamine vs hypothyroidism targets. Cross-check arbutamine pharmacophore against hypothyroidism pathway. bepotastine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking bepotastine vs hypothyroidism targets. Cross-check bepotastine pharmacophore against hypothyroidism pathway. cladribine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking cladribine vs hypothyroidism targets. Cross-check cladribine pharmacophore against hypothyroidism pathway. floxuridine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking floxuridine vs hypothyroidism targets. Cross-check floxuridine pharmacophore against hypothyroidism pathway. flunarizine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking flunarizine vs hypothyroidism targets. Cross-check flunarizine pharmacophore against hypothyroidism pathway. ketoprofen hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking ketoprofen vs hypothyroidism targets. Cross-check ketoprofen pharmacophore against hypothyroidism pathway. ketorolac hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking ketorolac vs hypothyroidism targets. Cross-check ketorolac pharmacophore against hypothyroidism pathway. lisinopril hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking lisinopril vs hypothyroidism targets. Cross-check lisinopril pharmacophore against hypothyroidism pathway. naproxen hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking naproxen vs hypothyroidism targets. Cross-check naproxen pharmacophore against hypothyroidism pathway. orlistat alopecia_areata GAP_LOW 0.1361 0.0 hydrocortisone Low-priority: Computational docking orlistat vs alopecia_areata targets. Cross-check orlistat pharmacophore against alopecia_areata pathway. oxybuprocaine hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking oxybuprocaine vs hypothyroidism targets. Cross-check oxybuprocaine pharmacophore against hypothyroidism pathway. ramipril hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking ramipril vs hypothyroidism targets. Cross-check ramipril pharmacophore against hypothyroidism pathway. sodium_lauryl_sulfate alopecia_areata GAP_LOW 0.1361 0.0 hydrocortisone Low-priority: Computational docking sodium_lauryl_sulfate vs alopecia_areata targets. Cross-check sodium_lauryl_sulfate pharmacophore against alopecia_areata pathway. sotalol hypothyroidism GAP_LOW 0.1361 0.0 methimazole Low-priority: Computational docking sotalol vs hypothyroidism targets. Cross-check sotalol pharmacophore against hypothyroidism pathway. clofedanol ocular_cancer GAP_HIGH 0.136 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.53) atomoxetine lung_cancer GAP_HIGH 0.136 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in lung_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) clotrimazole metabolic_syndrome_x GAP_HIGH 0.136 0.42857142857142855 papaverine High-priority: Binding assay clotrimazole→?; validate in metabolic_syndrome_x cell model. Expected: similar to papaverine (Jaccard=0.43) propafenone pancreatic_cancer GAP_HIGH 0.136 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in pancreatic_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) lacosamide systemic_lupus_erythematosus GAP_HIGH 0.136 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phentermine (Jaccard=0.38) azelastine atherosclerosis GAP_HIGH 0.136 0.3235294117647059 flurbiprofen High-priority: Binding assay azelastine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.32) drostanolone pancreatitis GAP_HIGH 0.136 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in pancreatitis cell model. Expected: similar to levorphanol (Jaccard=0.32) thalidomide primary_biliary_cirrhosis GAP_HIGH 0.136 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to doxorubicin (Jaccard=0.27) thalidomide thymus_cancer GAP_HIGH 0.136 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) cinolazepam membranous_glomerulonephritis GAP_HIGH 0.136 0.2631578947368421 chlorprothixene High-priority: Binding assay cinolazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.26) diphenidol membranous_glomerulonephritis GAP_HIGH 0.136 0.25 promethazine High-priority: Binding assay diphenidol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.25) ziprasidone coronary_artery_disease GAP_HIGH 0.136 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in coronary_artery_disease cell model. Expected: similar to temazepam (Jaccard=0.25) droperidol azoospermia GAP_HIGH 0.136 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in azoospermia cell model. Expected: similar to loperamide (Jaccard=0.24) chlorthalidone prostate_cancer GAP_HIGH 0.136 0.22727272727272727 azelastine High-priority: Binding assay chlorthalidone→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.23) tropicamide ocular_cancer GAP_HIGH 0.136 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) lercanidipine osteoarthritis GAP_HIGH 0.136 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in osteoarthritis cell model. Expected: similar to ifenprodil (Jaccard=0.15) lercanidipine vulva_cancer GAP_HIGH 0.136 0.15384615384615385 ifenprodil High-priority: Binding assay lercanidipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir atopic_dermatitis GAP_LOW 0.136 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs atopic_dermatitis targets. Cross-check aciclovir pharmacophore against atopic_dermatitis pathway. aciclovir breast_cancer GAP_LOW 0.136 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs breast_cancer targets. Cross-check aciclovir pharmacophore against breast_cancer pathway. aciclovir colon_cancer GAP_LOW 0.136 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs colon_cancer targets. Cross-check aciclovir pharmacophore against colon_cancer pathway. nisoldipine germ_cell_cancer GAP_LOW 0.136 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs germ_cell_cancer targets. Cross-check nisoldipine pharmacophore against germ_cell_cancer pathway. treprostinil pancreatitis GAP_LOW 0.136 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs pancreatitis targets. Cross-check treprostinil pharmacophore against pancreatitis pathway. dinoprostone systemic_lupus_erythematosus GAP_LOW 0.136 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs systemic_lupus_erythematosus targets. Cross-check dinoprostone pharmacophore against systemic_lupus_erythematosus pathway. l-carnitine membranous_glomerulonephritis GAP_LOW 0.136 0.13333333333333333 tenofovir Low-priority: Computational docking l-carnitine vs membranous_glomerulonephritis targets. Cross-check l-carnitine pharmacophore against membranous_glomerulonephritis pathway. nisoldipine nephrolithiasis GAP_LOW 0.136 0.13333333333333333 proparacaine Low-priority: Computational docking nisoldipine vs nephrolithiasis targets. Cross-check nisoldipine pharmacophore against nephrolithiasis pathway. eprosartan allergic_rhinitis GAP_LOW 0.136 0.125 desipramine Low-priority: Computational docking eprosartan vs allergic_rhinitis targets. Cross-check eprosartan pharmacophore against allergic_rhinitis pathway. eprosartan stomach_cancer GAP_LOW 0.136 0.125 desipramine Low-priority: Computational docking eprosartan vs stomach_cancer targets. Cross-check eprosartan pharmacophore against stomach_cancer pathway. tretinoin bone_cancer GAP_LOW 0.136 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs bone_cancer targets. Cross-check tretinoin pharmacophore against bone_cancer pathway. polythiazide type_1_diabetes_mellitus GAP_LOW 0.136 0.10714285714285714 sulfapyridine Low-priority: Computational docking polythiazide vs type_1_diabetes_mellitus targets. Cross-check polythiazide pharmacophore against type_1_diabetes_mellitus pathway. glimepiride ocular_cancer GAP_LOW 0.136 0.1 aspartame Low-priority: Computational docking glimepiride vs ocular_cancer targets. Cross-check glimepiride pharmacophore against ocular_cancer pathway. glipizide focal_segmental_glomerulosclerosis GAP_LOW 0.136 0.09090909090909091 indapamide Low-priority: Computational docking glipizide vs focal_segmental_glomerulosclerosis targets. Cross-check glipizide pharmacophore against focal_segmental_glomerulosclerosis pathway. pentobarbital thymus_cancer GAP_LOW 0.136 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs thymus_cancer targets. Cross-check pentobarbital pharmacophore against thymus_cancer pathway. valsartan celiac_disease GAP_LOW 0.136 0.09090909090909091 cinnarizine Low-priority: Computational docking valsartan vs celiac_disease targets. Cross-check valsartan pharmacophore against celiac_disease pathway. amobarbital salivary_gland_cancer GAP_LOW 0.136 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs salivary_gland_cancer targets. Cross-check amobarbital pharmacophore against salivary_gland_cancer pathway. glutethimide esophageal_cancer GAP_LOW 0.136 0.08 tamoxifen Low-priority: Computational docking glutethimide vs esophageal_cancer targets. Cross-check glutethimide pharmacophore against esophageal_cancer pathway. zolmitriptan type_1_diabetes_mellitus GAP_LOW 0.136 0.07692307692307693 atropine Low-priority: Computational docking zolmitriptan vs type_1_diabetes_mellitus targets. Cross-check zolmitriptan pharmacophore against type_1_diabetes_mellitus pathway. aprobarbital refractive_error GAP_LOW 0.136 0.06666666666666667 chlorphenesin Low-priority: Computational docking aprobarbital vs refractive_error targets. Cross-check aprobarbital pharmacophore against refractive_error pathway. butethal refractive_error GAP_LOW 0.136 0.06666666666666667 chlorphenesin Low-priority: Computational docking butethal vs refractive_error targets. Cross-check butethal pharmacophore against refractive_error pathway. aminolevulinic_acid celiac_disease GAP_LOW 0.136 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs celiac_disease targets. Cross-check aminolevulinic_acid pharmacophore against celiac_disease pathway. l-cystine pancreatic_cancer GAP_LOW 0.136 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs pancreatic_cancer targets. Cross-check l-cystine pharmacophore against pancreatic_cancer pathway. l-cystine stomach_cancer GAP_LOW 0.136 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs stomach_cancer targets. Cross-check l-cystine pharmacophore against stomach_cancer pathway. alimemazine urinary_bladder_cancer GAP_HIGH 0.1359 0.4444444444444444 trimipramine High-priority: Binding assay alimemazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to trimipramine (Jaccard=0.44) oxcarbazepine testicular_cancer GAP_HIGH 0.1359 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) oxcarbazepine vaginal_cancer GAP_HIGH 0.1359 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) oxcarbazepine vulva_cancer GAP_HIGH 0.1359 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.38) megestrol_acetate type_1_diabetes_mellitus GAP_HIGH 0.1359 0.3333333333333333 betamethasone High-priority: Binding assay megestrol_acetate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.33) estradiol_valeratedienogest skin_cancer GAP_HIGH 0.1359 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in skin_cancer cell model. Expected: similar to exemestane (Jaccard=0.31) diethylpropion ankylosing_spondylitis GAP_HIGH 0.1359 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) epirubicin hematologic_cancer GAP_HIGH 0.1359 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in hematologic_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) phenformin testicular_cancer GAP_HIGH 0.1359 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in testicular_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) phenformin vaginal_cancer GAP_HIGH 0.1359 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in vaginal_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) phenformin vulva_cancer GAP_HIGH 0.1359 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in vulva_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) ziprasidone polycystic_ovary_syndrome GAP_HIGH 0.1359 0.2727272727272727 cyclizine High-priority: Binding assay ziprasidone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to cyclizine (Jaccard=0.27) floxuridine duodenum_cancer GAP_HIGH 0.1359 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in duodenum_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) floxuridine gallbladder_cancer GAP_HIGH 0.1359 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in gallbladder_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) cinchocaine colon_cancer GAP_HIGH 0.1359 0.2608695652173913 flurazepam High-priority: Binding assay cinchocaine→?; validate in colon_cancer cell model. Expected: similar to flurazepam (Jaccard=0.26) flurazepam thyroid_cancer GAP_HIGH 0.1359 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in thyroid_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) ziprasidone hematologic_cancer GAP_HIGH 0.1359 0.25 pirenzepine High-priority: Binding assay ziprasidone→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.25) ziprasidone narcolepsy GAP_HIGH 0.1359 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in narcolepsy cell model. Expected: similar to temazepam (Jaccard=0.25) benzocaine germ_cell_cancer GAP_HIGH 0.1359 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in germ_cell_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) norepinephrine malignant_mesothelioma GAP_HIGH 0.1359 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.20) zolpidem stomach_cancer GAP_HIGH 0.1359 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in stomach_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) tioguanine obesity GAP_HIGH 0.1359 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in obesity cell model. Expected: similar to moricizine (Jaccard=0.18) amlodipine salivary_gland_cancer GAP_HIGH 0.1359 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir allergic_rhinitis GAP_LOW 0.1359 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs allergic_rhinitis targets. Cross-check aciclovir pharmacophore against allergic_rhinitis pathway. methocarbamol celiac_disease GAP_LOW 0.1359 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs celiac_disease targets. Cross-check methocarbamol pharmacophore against celiac_disease pathway. cilazapril chronic_obstructive_pulmonary_disease GAP_LOW 0.1359 0.125 imipramine Low-priority: Computational docking cilazapril vs chronic_obstructive_pulmonary_disease targets. Cross-check cilazapril pharmacophore against chronic_obstructive_pulmonary_disease pathway. clofibrate head_and_neck_cancer GAP_LOW 0.1359 0.125 alclometasone Low-priority: Computational docking clofibrate vs head_and_neck_cancer targets. Cross-check clofibrate pharmacophore against head_and_neck_cancer pathway. clofibrate malignant_glioma GAP_LOW 0.1359 0.125 alclometasone Low-priority: Computational docking clofibrate vs malignant_glioma targets. Cross-check clofibrate pharmacophore against malignant_glioma pathway. dihomo-gamma-linolenic_acid rheumatoid_arthritis GAP_LOW 0.1359 0.1111111111111111 estrone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs rheumatoid_arthritis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against rheumatoid_arthritis pathway. irbesartan psoriasis GAP_LOW 0.1359 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs psoriasis targets. Cross-check irbesartan pharmacophore against psoriasis pathway. eprosartan azoospermia GAP_LOW 0.1359 0.1 aprindine Low-priority: Computational docking eprosartan vs azoospermia targets. Cross-check eprosartan pharmacophore against azoospermia pathway. dihomo-gamma-linolenic_acid pancreatitis GAP_LOW 0.1359 0.09523809523809523 exemestane Low-priority: Computational docking dihomo-gamma-linolenic_acid vs pancreatitis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against pancreatitis pathway. phenobarbital meningioma GAP_LOW 0.1359 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs meningioma targets. Cross-check phenobarbital pharmacophore against meningioma pathway. glisoxepide focal_segmental_glomerulosclerosis GAP_LOW 0.1359 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs focal_segmental_glomerulosclerosis targets. Cross-check glisoxepide pharmacophore against focal_segmental_glomerulosclerosis pathway. caffeine narcolepsy GAP_LOW 0.1359 0.07692307692307693 bevantolol Low-priority: Computational docking caffeine vs narcolepsy targets. Cross-check caffeine pharmacophore against narcolepsy pathway. irbesartan head_and_neck_cancer GAP_LOW 0.1359 0.07692307692307693 doxorubicin Low-priority: Computational docking irbesartan vs head_and_neck_cancer targets. Cross-check irbesartan pharmacophore against head_and_neck_cancer pathway. travoprost dilated_cardiomyopathy GAP_LOW 0.1359 0.06666666666666667 medrysone Low-priority: Computational docking travoprost vs dilated_cardiomyopathy targets. Cross-check travoprost pharmacophore against dilated_cardiomyopathy pathway. papaverine acquired_immunodeficiency_syndrome GAP_LOW 0.1359 0.0625 lisinopril Low-priority: Computational docking papaverine vs acquired_immunodeficiency_syndrome targets. Cross-check papaverine pharmacophore against acquired_immunodeficiency_syndrome pathway. clofibrate dilated_cardiomyopathy GAP_LOW 0.1359 0.05555555555555555 rimexolone Low-priority: Computational docking clofibrate vs dilated_cardiomyopathy targets. Cross-check clofibrate pharmacophore against dilated_cardiomyopathy pathway. succinic_acid pancreatic_cancer GAP_LOW 0.1359 0.04 medrysone Low-priority: Computational docking succinic_acid vs pancreatic_cancer targets. Cross-check succinic_acid pharmacophore against pancreatic_cancer pathway. l-cystine ulcerative_colitis GAP_LOW 0.1359 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs ulcerative_colitis targets. Cross-check l-cystine pharmacophore against ulcerative_colitis pathway. aminolevulinic_acid lymphatic_system_cancer GAP_LOW 0.1359 0.015384615384615385 adenosine_triphosphate Low-priority: Computational docking aminolevulinic_acid vs lymphatic_system_cancer targets. Cross-check aminolevulinic_acid pharmacophore against lymphatic_system_cancer pathway. promethazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1358 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.50) promethazine urinary_bladder_cancer GAP_HIGH 0.1358 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) toremifene penile_cancer GAP_HIGH 0.1358 0.5 methadone High-priority: Binding assay toremifene→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.50) temazepam skin_cancer GAP_HIGH 0.1358 0.42857142857142855 azatadine High-priority: Binding assay temazepam→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.43) propafenone multiple_sclerosis GAP_HIGH 0.1358 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in multiple_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.39) propafenone sarcoma GAP_HIGH 0.1358 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.39) lacosamide skin_cancer GAP_HIGH 0.1358 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in skin_cancer cell model. Expected: similar to phentermine (Jaccard=0.38) afatinib pancreatic_cancer GAP_HIGH 0.1358 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in pancreatic_cancer cell model. Expected: similar to lapatinib (Jaccard=0.33) phenformin vascular_cancer GAP_HIGH 0.1358 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in vascular_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.29) lidocaine larynx_cancer GAP_HIGH 0.1358 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) ponatinib sclerosing_cholangitis GAP_HIGH 0.1358 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to sunitinib (Jaccard=0.25) salbutamol primary_biliary_cirrhosis GAP_HIGH 0.1358 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.25) topotecan larynx_cancer GAP_HIGH 0.1358 0.25 irinotecan High-priority: Binding assay topotecan→?; validate in larynx_cancer cell model. Expected: similar to irinotecan (Jaccard=0.25) bepotastine azoospermia GAP_HIGH 0.1358 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in azoospermia cell model. Expected: similar to loperamide (Jaccard=0.24) metaraminol urinary_bladder_cancer GAP_HIGH 0.1358 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) zolpidem pancreatic_cancer GAP_HIGH 0.1358 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in pancreatic_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) adenosine brain_cancer GAP_HIGH 0.1358 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) adenosine intracranial_aneurysm GAP_HIGH 0.1358 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.17) nisoldipine sclerosing_cholangitis GAP_HIGH 0.1358 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) l-aspartic_acid metabolic_syndrome_x GAP_HIGH 0.1358 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in metabolic_syndrome_x cell model. Expected: similar to l-lysine (Jaccard=0.15) aciclovir psoriasis GAP_LOW 0.1358 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs psoriasis targets. Cross-check aciclovir pharmacophore against psoriasis pathway. tolazamide penile_cancer GAP_LOW 0.1358 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs penile_cancer targets. Cross-check tolazamide pharmacophore against penile_cancer pathway. dinoprostone epilepsy_syndrome GAP_LOW 0.1358 0.125 pyrimethamine Low-priority: Computational docking dinoprostone vs epilepsy_syndrome targets. Cross-check dinoprostone pharmacophore against epilepsy_syndrome pathway. eprosartan ovarian_cancer GAP_LOW 0.1358 0.125 desipramine Low-priority: Computational docking eprosartan vs ovarian_cancer targets. Cross-check eprosartan pharmacophore against ovarian_cancer pathway. l-arginine glaucoma GAP_LOW 0.1358 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs glaucoma targets. Cross-check l-arginine pharmacophore against glaucoma pathway. irbesartan multiple_sclerosis GAP_LOW 0.1358 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs multiple_sclerosis targets. Cross-check irbesartan pharmacophore against multiple_sclerosis pathway. irbesartan osteoporosis GAP_LOW 0.1358 0.1111111111111111 danazol Low-priority: Computational docking irbesartan vs osteoporosis targets. Cross-check irbesartan pharmacophore against osteoporosis pathway. l-ornithine idiopathic_pulmonary_fibrosis GAP_LOW 0.1358 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs idiopathic_pulmonary_fibrosis targets. Cross-check l-ornithine pharmacophore against idiopathic_pulmonary_fibrosis pathway. glimepiride autistic_disorder GAP_LOW 0.1358 0.1 indapamide Low-priority: Computational docking glimepiride vs autistic_disorder targets. Cross-check glimepiride pharmacophore against autistic_disorder pathway. glimepiride nicotine_dependence GAP_LOW 0.1358 0.1 indapamide Low-priority: Computational docking glimepiride vs nicotine_dependence targets. Cross-check glimepiride pharmacophore against nicotine_dependence pathway. riboflavin polycystic_ovary_syndrome GAP_LOW 0.1358 0.1 epirubicin Low-priority: Computational docking riboflavin vs polycystic_ovary_syndrome targets. Cross-check riboflavin pharmacophore against polycystic_ovary_syndrome pathway. riboflavin type_2_diabetes_mellitus GAP_LOW 0.1358 0.1 epirubicin Low-priority: Computational docking riboflavin vs type_2_diabetes_mellitus targets. Cross-check riboflavin pharmacophore against type_2_diabetes_mellitus pathway. riboflavin vitiligo GAP_LOW 0.1358 0.1 epirubicin Low-priority: Computational docking riboflavin vs vitiligo targets. Cross-check riboflavin pharmacophore against vitiligo pathway. olmesartan nephrolithiasis GAP_LOW 0.1358 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs nephrolithiasis targets. Cross-check olmesartan pharmacophore against nephrolithiasis pathway. amobarbital ocular_cancer GAP_LOW 0.1358 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs ocular_cancer targets. Cross-check amobarbital pharmacophore against ocular_cancer pathway. ibuprofen alopecia_areata GAP_LOW 0.1358 0.08333333333333333 cyproterone_acetate Low-priority: Computational docking ibuprofen vs alopecia_areata targets. Cross-check ibuprofen pharmacophore against alopecia_areata pathway. desmopressin leprosy GAP_LOW 0.1358 0.058823529411764705 sulfamethizole Low-priority: Computational docking desmopressin vs leprosy targets. Cross-check desmopressin pharmacophore against leprosy pathway. l-cystine multiple_sclerosis GAP_LOW 0.1358 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs multiple_sclerosis targets. Cross-check l-cystine pharmacophore against multiple_sclerosis pathway. l-cystine psoriasis GAP_LOW 0.1358 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs psoriasis targets. Cross-check l-cystine pharmacophore against psoriasis pathway. clofedanol peripheral_nervous_system_neoplasm GAP_HIGH 0.1357 0.53125 methadone High-priority: Binding assay clofedanol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methadone (Jaccard=0.53) ramipril coronary_artery_disease GAP_HIGH 0.1357 0.3 moexipril High-priority: Binding assay ramipril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.30) thalidomide creutzfeldt-jakob_disease GAP_HIGH 0.1357 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide sclerosing_cholangitis GAP_HIGH 0.1357 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) cinchocaine ovarian_cancer GAP_HIGH 0.1357 0.2608695652173913 flurazepam High-priority: Binding assay cinchocaine→?; validate in ovarian_cancer cell model. Expected: similar to flurazepam (Jaccard=0.26) dapsone stomach_cancer GAP_HIGH 0.1357 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in stomach_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) salbutamol gout GAP_HIGH 0.1357 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.25) telmisartan gout GAP_HIGH 0.1357 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in gout cell model. Expected: similar to tolbutamide (Jaccard=0.25) tamsulosin melanoma GAP_HIGH 0.1357 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.24) docetaxel alcohol_dependence GAP_HIGH 0.1357 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) disopyramide glaucoma GAP_HIGH 0.1357 0.2 metaraminol High-priority: Binding assay disopyramide→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) moexipril atopic_dermatitis GAP_HIGH 0.1357 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in atopic_dermatitis cell model. Expected: similar to cyclandelate (Jaccard=0.20) zolpidem ovarian_cancer GAP_HIGH 0.1357 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in ovarian_cancer cell model. Expected: similar to bromfenac (Jaccard=0.20) tropicamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1357 0.16666666666666666 phenylbutazone High-priority: Binding assay tropicamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.17) amlodipine ocular_cancer GAP_HIGH 0.1357 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) amlodipine rectum_cancer GAP_HIGH 0.1357 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) aciclovir migraine GAP_LOW 0.1357 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs migraine targets. Cross-check aciclovir pharmacophore against migraine pathway. aciclovir osteoporosis GAP_LOW 0.1357 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs osteoporosis targets. Cross-check aciclovir pharmacophore against osteoporosis pathway. aciclovir ovarian_cancer GAP_LOW 0.1357 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs ovarian_cancer targets. Cross-check aciclovir pharmacophore against ovarian_cancer pathway. eprosartan migraine GAP_LOW 0.1357 0.125 desipramine Low-priority: Computational docking eprosartan vs migraine targets. Cross-check eprosartan pharmacophore against migraine pathway. glutethimide penile_cancer GAP_LOW 0.1357 0.10256410256410256 diphenylpyraline Low-priority: Computational docking glutethimide vs penile_cancer targets. Cross-check glutethimide pharmacophore against penile_cancer pathway. glimepiride urinary_bladder_cancer GAP_LOW 0.1357 0.1 aspartame Low-priority: Computational docking glimepiride vs urinary_bladder_cancer targets. Cross-check glimepiride pharmacophore against urinary_bladder_cancer pathway. ranolazine gilles_de_la_tourette_syndrome GAP_LOW 0.1357 0.08823529411764706 modafinil Low-priority: Computational docking ranolazine vs gilles_de_la_tourette_syndrome targets. Cross-check ranolazine pharmacophore against gilles_de_la_tourette_syndrome pathway. paricalcitol leprosy GAP_LOW 0.1357 0.07692307692307693 sulfamethizole Low-priority: Computational docking paricalcitol vs leprosy targets. Cross-check paricalcitol pharmacophore against leprosy pathway. isradipine acquired_immunodeficiency_syndrome GAP_LOW 0.1357 0.0625 nateglinide Low-priority: Computational docking isradipine vs acquired_immunodeficiency_syndrome targets. Cross-check isradipine pharmacophore against acquired_immunodeficiency_syndrome pathway. tauroursodeoxycholic_acid celiac_disease GAP_LOW 0.1357 0.058823529411764705 salsalate Low-priority: Computational docking tauroursodeoxycholic_acid vs celiac_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against celiac_disease pathway. methacholine acquired_immunodeficiency_syndrome GAP_LOW 0.1357 0.01639344262295082 adenosine_monophosphate Low-priority: Computational docking methacholine vs acquired_immunodeficiency_syndrome targets. Cross-check methacholine pharmacophore against acquired_immunodeficiency_syndrome pathway. diphenhydramine muscle_cancer GAP_HIGH 0.1356 0.5294117647058824 clofedanol High-priority: Binding assay diphenhydramine→?; validate in muscle_cancer cell model. Expected: similar to clofedanol (Jaccard=0.53) thiothixene pancreatitis GAP_HIGH 0.1356 0.5238095238095238 pirenzepine High-priority: Binding assay thiothixene→?; validate in pancreatitis cell model. Expected: similar to pirenzepine (Jaccard=0.52) atomoxetine urinary_bladder_cancer GAP_HIGH 0.1356 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) bromfenac refractive_error GAP_HIGH 0.1356 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.41) propafenone systemic_lupus_erythematosus GAP_HIGH 0.1356 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to propranolol (Jaccard=0.39) cyclizine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1356 0.35714285714285715 azatadine High-priority: Binding assay cyclizine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.36) drostanolone alzheimers_disease GAP_HIGH 0.1356 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.32) methdilazine alcohol_dependence GAP_HIGH 0.1356 0.3170731707317073 mazindol High-priority: Binding assay methdilazine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.32) trandolapril coronary_artery_disease GAP_HIGH 0.1356 0.3 moexipril High-priority: Binding assay trandolapril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.30) mepyramine lung_cancer GAP_HIGH 0.1356 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in lung_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) mepyramine rectum_cancer GAP_HIGH 0.1356 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in rectum_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) ethylmorphine narcolepsy GAP_HIGH 0.1356 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in narcolepsy cell model. Expected: similar to bepridil (Jaccard=0.25) salbutamol coronary_artery_disease GAP_HIGH 0.1356 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.25) nandrolone_phenpropionate sclerosing_cholangitis GAP_HIGH 0.1356 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in sclerosing_cholangitis cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) zolpidem sarcoma GAP_HIGH 0.1356 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in sarcoma cell model. Expected: similar to bromfenac (Jaccard=0.20) dasatinib atherosclerosis GAP_HIGH 0.1356 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) epoprostenol breast_cancer GAP_LOW 0.1356 0.1111111111111111 mestranol Low-priority: Computational docking epoprostenol vs breast_cancer targets. Cross-check epoprostenol pharmacophore against breast_cancer pathway. glimepiride attention_deficit_hyperactivity_disorder GAP_LOW 0.1356 0.1 indapamide Low-priority: Computational docking glimepiride vs attention_deficit_hyperactivity_disorder targets. Cross-check glimepiride pharmacophore against attention_deficit_hyperactivity_disorder pathway. zolmitriptan glaucoma GAP_LOW 0.1356 0.07692307692307693 metaraminol Low-priority: Computational docking zolmitriptan vs glaucoma targets. Cross-check zolmitriptan pharmacophore against glaucoma pathway. baclofen alopecia_areata GAP_LOW 0.1356 0.0625 estradiol_valeratedienogest Low-priority: Computational docking baclofen vs alopecia_areata targets. Cross-check baclofen pharmacophore against alopecia_areata pathway. oxcarbazepine uterine_fibroid GAP_HIGH 0.1355 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.38) masoprocol thyroid_cancer GAP_HIGH 0.1355 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in thyroid_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) phenprocoumon primary_biliary_cirrhosis GAP_HIGH 0.1355 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.36) drostanolone nicotine_dependence GAP_HIGH 0.1355 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.32) diethylpropion pancreatitis GAP_HIGH 0.1355 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) phenformin uterine_fibroid GAP_HIGH 0.1355 0.2857142857142857 l-tryptophan High-priority: Binding assay phenformin→?; validate in uterine_fibroid cell model. Expected: similar to l-tryptophan (Jaccard=0.29) aspartame chronic_obstructive_pulmonary_disease GAP_HIGH 0.1355 0.25 imipramine High-priority: Binding assay aspartame→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to imipramine (Jaccard=0.25) etonogestrel mediastinal_cancer GAP_HIGH 0.1355 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) hydromorphone restless_legs_syndrome GAP_HIGH 0.1355 0.25 dextromethorphan High-priority: Binding assay hydromorphone→?; validate in restless_legs_syndrome cell model. Expected: similar to dextromethorphan (Jaccard=0.25) dobutamine germ_cell_cancer GAP_HIGH 0.1355 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.22) melatonin duodenum_cancer GAP_HIGH 0.1355 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in duodenum_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) melatonin gallbladder_cancer GAP_HIGH 0.1355 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in gallbladder_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) moexipril psoriasis GAP_HIGH 0.1355 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in psoriasis cell model. Expected: similar to cyclandelate (Jaccard=0.20) tolazoline kidney_cancer GAP_HIGH 0.1355 0.2 acetaminophen High-priority: Binding assay tolazoline→?; validate in kidney_cancer cell model. Expected: similar to acetaminophen (Jaccard=0.20) hydrochlorothiazide focal_segmental_glomerulosclerosis GAP_LOW 0.1355 0.15 tamsulosin Low-priority: Computational docking hydrochlorothiazide vs focal_segmental_glomerulosclerosis targets. Cross-check hydrochlorothiazide pharmacophore against focal_segmental_glomerulosclerosis pathway. treprostinil alzheimers_disease GAP_LOW 0.1355 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs alzheimers_disease targets. Cross-check treprostinil pharmacophore against alzheimers_disease pathway. treprostinil parkinsons_disease GAP_LOW 0.1355 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs parkinsons_disease targets. Cross-check treprostinil pharmacophore against parkinsons_disease pathway. amodiaquine idiopathic_pulmonary_fibrosis GAP_LOW 0.1355 0.13043478260869565 ephedrine Low-priority: Computational docking amodiaquine vs idiopathic_pulmonary_fibrosis targets. Cross-check amodiaquine pharmacophore against idiopathic_pulmonary_fibrosis pathway. nilvadipine ulcerative_colitis GAP_LOW 0.1355 0.13043478260869565 diphenylpyraline Low-priority: Computational docking nilvadipine vs ulcerative_colitis targets. Cross-check nilvadipine pharmacophore against ulcerative_colitis pathway. zolmitriptan conduct_disorder GAP_LOW 0.1355 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs conduct_disorder targets. Cross-check zolmitriptan pharmacophore against conduct_disorder pathway. nicardipine membranous_glomerulonephritis GAP_LOW 0.1355 0.1 naftifine Low-priority: Computational docking nicardipine vs membranous_glomerulonephritis targets. Cross-check nicardipine pharmacophore against membranous_glomerulonephritis pathway. heptabarbital pharynx_cancer GAP_LOW 0.1355 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs pharynx_cancer targets. Cross-check heptabarbital pharmacophore against pharynx_cancer pathway. riboflavin alzheimers_disease GAP_LOW 0.1355 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs alzheimers_disease targets. Cross-check riboflavin pharmacophore against alzheimers_disease pathway. aprobarbital primary_biliary_cirrhosis GAP_LOW 0.1355 0.08333333333333333 pantoprazole Low-priority: Computational docking aprobarbital vs primary_biliary_cirrhosis targets. Cross-check aprobarbital pharmacophore against primary_biliary_cirrhosis pathway. butethal primary_biliary_cirrhosis GAP_LOW 0.1355 0.08333333333333333 pantoprazole Low-priority: Computational docking butethal vs primary_biliary_cirrhosis targets. Cross-check butethal pharmacophore against primary_biliary_cirrhosis pathway. dinoprostone hepatitis_b GAP_LOW 0.1355 0.07692307692307693 glucosamine Low-priority: Computational docking dinoprostone vs hepatitis_b targets. Cross-check dinoprostone pharmacophore against hepatitis_b pathway. pentobarbital celiac_disease GAP_LOW 0.1355 0.06896551724137931 bezafibrate Low-priority: Computational docking pentobarbital vs celiac_disease targets. Cross-check pentobarbital pharmacophore against celiac_disease pathway. chlorpropamide leprosy GAP_LOW 0.1355 0.06451612903225806 sulfapyridine Low-priority: Computational docking chlorpropamide vs leprosy targets. Cross-check chlorpropamide pharmacophore against leprosy pathway. l-cystine systemic_lupus_erythematosus GAP_LOW 0.1355 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs systemic_lupus_erythematosus targets. Cross-check l-cystine pharmacophore against systemic_lupus_erythematosus pathway. testosterone_propionate malignant_mesothelioma GAP_HIGH 0.1354 0.391304347826087 fluoxymesterone High-priority: Binding assay testosterone_propionate→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) propafenone skin_cancer GAP_HIGH 0.1354 0.3888888888888889 propranolol High-priority: Binding assay propafenone→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.39) benzatropine hematologic_cancer GAP_HIGH 0.1354 0.3333333333333333 reboxetine High-priority: Binding assay benzatropine→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) isopropamide esophageal_cancer GAP_HIGH 0.1354 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) mitiglinide crohns_disease GAP_HIGH 0.1354 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in crohns_disease cell model. Expected: similar to nateglinide (Jaccard=0.33) vinblastine psoriatic_arthritis GAP_HIGH 0.1354 0.3333333333333333 voacamine High-priority: Binding assay vinblastine→?; validate in psoriatic_arthritis cell model. Expected: similar to voacamine (Jaccard=0.33) bromodiphenhydramine type_1_diabetes_mellitus GAP_HIGH 0.1354 0.3 benzatropine High-priority: Binding assay bromodiphenhydramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.30) phenoxybenzamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1354 0.2857142857142857 promethazine High-priority: Binding assay phenoxybenzamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.29) levonorgestrel pancreatitis GAP_HIGH 0.1354 0.2777777777777778 fluoxymesterone High-priority: Binding assay levonorgestrel→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.28) mepyramine liver_cancer GAP_HIGH 0.1354 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in liver_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) flurazepam muscle_cancer GAP_HIGH 0.1354 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in muscle_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) dapsone ovarian_cancer GAP_HIGH 0.1354 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in ovarian_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) dapsone sarcoma GAP_HIGH 0.1354 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in sarcoma cell model. Expected: similar to sulfapyridine (Jaccard=0.25) dasatinib schizophrenia GAP_HIGH 0.1354 0.25 erlotinib High-priority: Binding assay dasatinib→?; validate in schizophrenia cell model. Expected: similar to erlotinib (Jaccard=0.25) etonogestrel thymus_cancer GAP_HIGH 0.1354 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) desogestrel mediastinal_cancer GAP_HIGH 0.1354 0.23076923076923078 cortisone_acetate High-priority: Binding assay desogestrel→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.23) calcidiol sclerosing_cholangitis GAP_HIGH 0.1354 0.2 ursodeoxycholic_acid High-priority: Binding assay calcidiol→?; validate in sclerosing_cholangitis cell model. Expected: similar to ursodeoxycholic_acid (Jaccard=0.20) moexipril osteoporosis GAP_HIGH 0.1354 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in osteoporosis cell model. Expected: similar to cyclandelate (Jaccard=0.20) moexipril ovarian_cancer GAP_HIGH 0.1354 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in ovarian_cancer cell model. Expected: similar to cyclandelate (Jaccard=0.20) tioguanine restless_legs_syndrome GAP_HIGH 0.1354 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in restless_legs_syndrome cell model. Expected: similar to moricizine (Jaccard=0.18) diclofenamide membranous_glomerulonephritis GAP_HIGH 0.1354 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to indapamide (Jaccard=0.17) prazepam hematologic_cancer GAP_HIGH 0.1354 0.16666666666666666 flurbiprofen High-priority: Binding assay prazepam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.17) captopril panic_disorder GAP_HIGH 0.1354 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.15) l-aspartic_acid obesity GAP_HIGH 0.1354 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in obesity cell model. Expected: similar to l-lysine (Jaccard=0.15) treprostinil amyotrophic_lateral_sclerosis GAP_LOW 0.1354 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs amyotrophic_lateral_sclerosis targets. Cross-check treprostinil pharmacophore against amyotrophic_lateral_sclerosis pathway. zolmitriptan type_2_diabetes_mellitus GAP_LOW 0.1354 0.125 naproxen Low-priority: Computational docking zolmitriptan vs type_2_diabetes_mellitus targets. Cross-check zolmitriptan pharmacophore against type_2_diabetes_mellitus pathway. zolmitriptan vitiligo GAP_LOW 0.1354 0.125 naproxen Low-priority: Computational docking zolmitriptan vs vitiligo targets. Cross-check zolmitriptan pharmacophore against vitiligo pathway. zolmitriptan stomach_cancer GAP_LOW 0.1354 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs stomach_cancer targets. Cross-check zolmitriptan pharmacophore against stomach_cancer pathway. zolmitriptan chronic_obstructive_pulmonary_disease GAP_LOW 0.1354 0.1111111111111111 azatadine Low-priority: Computational docking zolmitriptan vs chronic_obstructive_pulmonary_disease targets. Cross-check zolmitriptan pharmacophore against chronic_obstructive_pulmonary_disease pathway. aminoglutethimide pharynx_cancer GAP_LOW 0.1354 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs pharynx_cancer targets. Cross-check aminoglutethimide pharmacophore against pharynx_cancer pathway. glipizide glaucoma GAP_LOW 0.1354 0.09090909090909091 methacholine Low-priority: Computational docking glipizide vs glaucoma targets. Cross-check glipizide pharmacophore against glaucoma pathway. riboflavin amyotrophic_lateral_sclerosis GAP_LOW 0.1354 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs amyotrophic_lateral_sclerosis targets. Cross-check riboflavin pharmacophore against amyotrophic_lateral_sclerosis pathway. riboflavin autistic_disorder GAP_LOW 0.1354 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs autistic_disorder targets. Cross-check riboflavin pharmacophore against autistic_disorder pathway. riboflavin nicotine_dependence GAP_LOW 0.1354 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs nicotine_dependence targets. Cross-check riboflavin pharmacophore against nicotine_dependence pathway. riboflavin parkinsons_disease GAP_LOW 0.1354 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs parkinsons_disease targets. Cross-check riboflavin pharmacophore against parkinsons_disease pathway. valsartan nephrolithiasis GAP_LOW 0.1354 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs nephrolithiasis targets. Cross-check valsartan pharmacophore against nephrolithiasis pathway. amobarbital peripheral_nervous_system_neoplasm GAP_LOW 0.1354 0.08333333333333333 phenylbutazone Low-priority: Computational docking amobarbital vs peripheral_nervous_system_neoplasm targets. Cross-check amobarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. acetylcysteine kidney_cancer GAP_LOW 0.1354 0.043478260869565216 tolbutamide Low-priority: Computational docking acetylcysteine vs kidney_cancer targets. Cross-check acetylcysteine pharmacophore against kidney_cancer pathway. aminolevulinic_acid brain_cancer GAP_LOW 0.1354 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs brain_cancer targets. Cross-check aminolevulinic_acid pharmacophore against brain_cancer pathway. aminolevulinic_acid intracranial_aneurysm GAP_LOW 0.1354 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs intracranial_aneurysm targets. Cross-check aminolevulinic_acid pharmacophore against intracranial_aneurysm pathway. naftifine melanoma GAP_HIGH 0.1353 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in melanoma cell model. Expected: similar to toremifene (Jaccard=0.43) spironolactone hypertension GAP_HIGH 0.1353 0.42857142857142855 drospirenone High-priority: Binding assay spironolactone→?; validate in hypertension cell model. Expected: similar to drospirenone (Jaccard=0.43) tolterodine vulva_cancer GAP_HIGH 0.1353 0.3333333333333333 carbamazepine High-priority: Binding assay tolterodine→?; validate in vulva_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.33) phenoxybenzamine chronic_kidney_failure GAP_HIGH 0.1353 0.2962962962962963 diphenhydramine High-priority: Binding assay phenoxybenzamine→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenhydramine (Jaccard=0.30) flurazepam lung_cancer GAP_HIGH 0.1353 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in lung_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) dasatinib breast_cancer GAP_HIGH 0.1353 0.25 erlotinib High-priority: Binding assay dasatinib→?; validate in breast_cancer cell model. Expected: similar to erlotinib (Jaccard=0.25) desogestrel thymus_cancer GAP_HIGH 0.1353 0.23076923076923078 cortisone_acetate High-priority: Binding assay desogestrel→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.23) dasatinib esophageal_cancer GAP_HIGH 0.1353 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in esophageal_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) milnacipran germ_cell_cancer GAP_HIGH 0.1353 0.2 tamoxifen High-priority: Binding assay milnacipran→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) norepinephrine meningioma GAP_HIGH 0.1353 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.20) tioguanine polycystic_ovary_syndrome GAP_HIGH 0.1353 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine type_2_diabetes_mellitus GAP_HIGH 0.1353 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to moricizine (Jaccard=0.18) tioguanine vitiligo GAP_HIGH 0.1353 0.18181818181818182 moricizine High-priority: Binding assay tioguanine→?; validate in vitiligo cell model. Expected: similar to moricizine (Jaccard=0.18) nisoldipine ankylosing_spondylitis GAP_HIGH 0.1353 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) amlodipine peripheral_nervous_system_neoplasm GAP_HIGH 0.1353 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.15) captopril allergic_rhinitis GAP_HIGH 0.1353 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.15) dinoprostone systemic_scleroderma GAP_LOW 0.1353 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs systemic_scleroderma targets. Cross-check dinoprostone pharmacophore against systemic_scleroderma pathway. l-ornithine coronary_artery_disease GAP_LOW 0.1353 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs coronary_artery_disease targets. Cross-check l-ornithine pharmacophore against coronary_artery_disease pathway. glimepiride breast_cancer GAP_LOW 0.1353 0.1 indapamide Low-priority: Computational docking glimepiride vs breast_cancer targets. Cross-check glimepiride pharmacophore against breast_cancer pathway. glimepiride conduct_disorder GAP_LOW 0.1353 0.1 indapamide Low-priority: Computational docking glimepiride vs conduct_disorder targets. Cross-check glimepiride pharmacophore against conduct_disorder pathway. travoprost alopecia_areata GAP_LOW 0.1353 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs alopecia_areata targets. Cross-check travoprost pharmacophore against alopecia_areata pathway. carboprost_tromethamine focal_segmental_glomerulosclerosis GAP_LOW 0.1353 0.07142857142857142 floctafenine Low-priority: Computational docking carboprost_tromethamine vs focal_segmental_glomerulosclerosis targets. Cross-check carboprost_tromethamine pharmacophore against focal_segmental_glomerulosclerosis pathway. heptabarbital brain_cancer GAP_LOW 0.1353 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking heptabarbital vs brain_cancer targets. Cross-check heptabarbital pharmacophore against brain_cancer pathway. heptabarbital intracranial_aneurysm GAP_LOW 0.1353 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking heptabarbital vs intracranial_aneurysm targets. Cross-check heptabarbital pharmacophore against intracranial_aneurysm pathway. abacavir hypothyroidism GAP_LOW 0.1353 0.0 methimazole Low-priority: Computational docking abacavir vs hypothyroidism targets. Cross-check abacavir pharmacophore against hypothyroidism pathway. cinolazepam hypothyroidism GAP_LOW 0.1353 0.0 methimazole Low-priority: Computational docking cinolazepam vs hypothyroidism targets. Cross-check cinolazepam pharmacophore against hypothyroidism pathway. diazepam hypothyroidism GAP_LOW 0.1353 0.0 methimazole Low-priority: Computational docking diazepam vs hypothyroidism targets. Cross-check diazepam pharmacophore against hypothyroidism pathway. quinethazone hypothyroidism GAP_LOW 0.1353 0.0 methimazole Low-priority: Computational docking quinethazone vs hypothyroidism targets. Cross-check quinethazone pharmacophore against hypothyroidism pathway. tranylcypromine hypothyroidism GAP_LOW 0.1353 0.0 methimazole Low-priority: Computational docking tranylcypromine vs hypothyroidism targets. Cross-check tranylcypromine pharmacophore against hypothyroidism pathway. hydrocortisone amyotrophic_lateral_sclerosis GAP_HIGH 0.1352 0.48 fludrocortisone High-priority: Binding assay hydrocortisone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.48) chlorprothixene crohns_disease GAP_HIGH 0.1352 0.44 methdilazine High-priority: Binding assay chlorprothixene→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.44) oxcarbazepine polycystic_ovary_syndrome GAP_HIGH 0.1352 0.38461538461538464 clozapine High-priority: Binding assay oxcarbazepine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.38) fludiazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1352 0.3333333333333333 trifluoperazine High-priority: Binding assay fludiazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.33) ketorolac narcolepsy GAP_HIGH 0.1352 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in narcolepsy cell model. Expected: similar to suprofen (Jaccard=0.31) flurandrenolide amyotrophic_lateral_sclerosis GAP_HIGH 0.1352 0.3 fludrocortisone High-priority: Binding assay flurandrenolide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.30) orphenadrine gout GAP_HIGH 0.1352 0.3 promethazine High-priority: Binding assay orphenadrine→?; validate in gout cell model. Expected: similar to promethazine (Jaccard=0.30) lacosamide acquired_immunodeficiency_syndrome GAP_HIGH 0.1352 0.2777777777777778 nateglinide High-priority: Binding assay lacosamide→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.28) thalidomide ankylosing_spondylitis GAP_HIGH 0.1352 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) imipramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1352 0.25 acepromazine High-priority: Binding assay imipramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acepromazine (Jaccard=0.25) medroxyprogesterone_acetate head_and_neck_cancer GAP_HIGH 0.1352 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) mazindol leprosy GAP_HIGH 0.1352 0.24193548387096775 phensuximide High-priority: Binding assay mazindol→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.24) ponatinib crohns_disease GAP_HIGH 0.1352 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.24) melatonin sclerosing_cholangitis GAP_HIGH 0.1352 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in sclerosing_cholangitis cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) naloxone kidney_cancer GAP_HIGH 0.1352 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) dopamine gout GAP_HIGH 0.1352 0.2 histamine_phosphate High-priority: Binding assay dopamine→?; validate in gout cell model. Expected: similar to histamine_phosphate (Jaccard=0.20) moexipril systemic_lupus_erythematosus GAP_HIGH 0.1352 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyclandelate (Jaccard=0.20) aciclovir osteoarthritis GAP_LOW 0.1352 0.14285714285714285 desipramine Low-priority: Computational docking aciclovir vs osteoarthritis targets. Cross-check aciclovir pharmacophore against osteoarthritis pathway. dexamethasone pagets_disease_of_bone GAP_LOW 0.1352 0.125 histamine_phosphate Low-priority: Computational docking dexamethasone vs pagets_disease_of_bone targets. Cross-check dexamethasone pharmacophore against pagets_disease_of_bone pathway. entecavir bone_cancer GAP_LOW 0.1352 0.125 tetrahydrofolic_acid Low-priority: Computational docking entecavir vs bone_cancer targets. Cross-check entecavir pharmacophore against bone_cancer pathway. zolmitriptan uterine_cancer GAP_LOW 0.1352 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs uterine_cancer targets. Cross-check zolmitriptan pharmacophore against uterine_cancer pathway. carvedilol celiac_disease GAP_LOW 0.1352 0.1111111111111111 sorafenib Low-priority: Computational docking carvedilol vs celiac_disease targets. Cross-check carvedilol pharmacophore against celiac_disease pathway. dinoprostone crohns_disease GAP_LOW 0.1352 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs crohns_disease targets. Cross-check dinoprostone pharmacophore against crohns_disease pathway. zolmitriptan melanoma GAP_LOW 0.1352 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs melanoma targets. Cross-check zolmitriptan pharmacophore against melanoma pathway. etidronic_acid leprosy GAP_LOW 0.1352 0.1 sulfamethizole Low-priority: Computational docking etidronic_acid vs leprosy targets. Cross-check etidronic_acid pharmacophore against leprosy pathway. gliquidone azoospermia GAP_LOW 0.1352 0.09090909090909091 naproxen Low-priority: Computational docking gliquidone vs azoospermia targets. Cross-check gliquidone pharmacophore against azoospermia pathway. ibuprofen glaucoma GAP_LOW 0.1352 0.09090909090909091 dinoprostone Low-priority: Computational docking ibuprofen vs glaucoma targets. Cross-check ibuprofen pharmacophore against glaucoma pathway. glisoxepide glaucoma GAP_LOW 0.1352 0.08333333333333333 methacholine Low-priority: Computational docking glisoxepide vs glaucoma targets. Cross-check glisoxepide pharmacophore against glaucoma pathway. calcium_acetate glaucoma GAP_LOW 0.1352 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs glaucoma targets. Cross-check calcium_acetate pharmacophore against glaucoma pathway. flutamide lymphatic_system_cancer GAP_LOW 0.1352 0.05263157894736842 riboflavin Low-priority: Computational docking flutamide vs lymphatic_system_cancer targets. Cross-check flutamide pharmacophore against lymphatic_system_cancer pathway. orlistat esophageal_cancer GAP_LOW 0.1352 0.0 hydrocortisone Low-priority: Computational docking orlistat vs esophageal_cancer targets. Cross-check orlistat pharmacophore against esophageal_cancer pathway. succinic_acid esophageal_cancer GAP_LOW 0.1352 0.0 hydrocortisone Low-priority: Computational docking succinic_acid vs esophageal_cancer targets. Cross-check succinic_acid pharmacophore against esophageal_cancer pathway. atomoxetine stomach_cancer GAP_HIGH 0.1351 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in stomach_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) phentermine pancreatitis GAP_HIGH 0.1351 0.35714285714285715 phenylpropanolamine High-priority: Binding assay phentermine→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) estradiol_valeratedienogest restless_legs_syndrome GAP_HIGH 0.1351 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in restless_legs_syndrome cell model. Expected: similar to exemestane (Jaccard=0.31) ketorolac chronic_kidney_failure GAP_HIGH 0.1351 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in chronic_kidney_failure cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) benzatropine malaria GAP_HIGH 0.1351 0.28 modafinil High-priority: Binding assay benzatropine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.28) flurazepam liver_cancer GAP_HIGH 0.1351 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in liver_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) ketorolac acquired_immunodeficiency_syndrome GAP_HIGH 0.1351 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.22) naloxone nephrolithiasis GAP_HIGH 0.1351 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in nephrolithiasis cell model. Expected: similar to docetaxel (Jaccard=0.22) naloxone refractive_error GAP_HIGH 0.1351 0.2222222222222222 dinoprostone High-priority: Binding assay naloxone→?; validate in refractive_error cell model. Expected: similar to dinoprostone (Jaccard=0.22) tolazoline chronic_kidney_failure GAP_HIGH 0.1351 0.2 terbinafine High-priority: Binding assay tolazoline→?; validate in chronic_kidney_failure cell model. Expected: similar to terbinafine (Jaccard=0.20) dienestrol alopecia_areata GAP_HIGH 0.1351 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in alopecia_areata cell model. Expected: similar to estrone (Jaccard=0.18) nimodipine sclerosing_cholangitis GAP_LOW 0.1351 0.15 fentanyl Low-priority: Computational docking nimodipine vs sclerosing_cholangitis targets. Cross-check nimodipine pharmacophore against sclerosing_cholangitis pathway. captopril refractive_error GAP_LOW 0.1351 0.1111111111111111 dinoprost_tromethamine Low-priority: Computational docking captopril vs refractive_error targets. Cross-check captopril pharmacophore against refractive_error pathway. losartan crohns_disease GAP_LOW 0.1351 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs crohns_disease targets. Cross-check losartan pharmacophore against crohns_disease pathway. pasireotide membranous_glomerulonephritis GAP_LOW 0.1351 0.1111111111111111 ergocalciferol Low-priority: Computational docking pasireotide vs membranous_glomerulonephritis targets. Cross-check pasireotide pharmacophore against membranous_glomerulonephritis pathway. glimepiride bipolar_disorder GAP_LOW 0.1351 0.1 indapamide Low-priority: Computational docking glimepiride vs bipolar_disorder targets. Cross-check glimepiride pharmacophore against bipolar_disorder pathway. glimepiride endogenous_depression GAP_LOW 0.1351 0.1 indapamide Low-priority: Computational docking glimepiride vs endogenous_depression targets. Cross-check glimepiride pharmacophore against endogenous_depression pathway. riboflavin attention_deficit_hyperactivity_disorder GAP_LOW 0.1351 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs attention_deficit_hyperactivity_disorder targets. Cross-check riboflavin pharmacophore against attention_deficit_hyperactivity_disorder pathway. methylphenobarbital head_and_neck_cancer GAP_LOW 0.1351 0.08333333333333333 pantoprazole Low-priority: Computational docking methylphenobarbital vs head_and_neck_cancer targets. Cross-check methylphenobarbital pharmacophore against head_and_neck_cancer pathway. ritodrine leprosy GAP_LOW 0.1351 0.08333333333333333 sulfamethizole Low-priority: Computational docking ritodrine vs leprosy targets. Cross-check ritodrine pharmacophore against leprosy pathway. tauroursodeoxycholic_acid crohns_disease GAP_LOW 0.1351 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs crohns_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against crohns_disease pathway. butabarbital alopecia_areata GAP_LOW 0.1351 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs alopecia_areata targets. Cross-check butabarbital pharmacophore against alopecia_areata pathway. aminolevulinic_acid refractive_error GAP_LOW 0.1351 0.046511627906976744 l-dopa Low-priority: Computational docking aminolevulinic_acid vs refractive_error targets. Cross-check aminolevulinic_acid pharmacophore against refractive_error pathway. acetylcysteine celiac_disease GAP_LOW 0.1351 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs celiac_disease targets. Cross-check acetylcysteine pharmacophore against celiac_disease pathway. aciclovir pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking aciclovir vs pagets_disease_of_bone targets. Cross-check aciclovir pharmacophore against pagets_disease_of_bone pathway. adenosine pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking adenosine vs pagets_disease_of_bone targets. Cross-check adenosine pharmacophore against pagets_disease_of_bone pathway. adinazolam pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking adinazolam vs pagets_disease_of_bone targets. Cross-check adinazolam pharmacophore against pagets_disease_of_bone pathway. flurazepam pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking flurazepam vs pagets_disease_of_bone targets. Cross-check flurazepam pharmacophore against pagets_disease_of_bone pathway. paricalcitol pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking paricalcitol vs pagets_disease_of_bone targets. Cross-check paricalcitol pharmacophore against pagets_disease_of_bone pathway. phenylephrine pagets_disease_of_bone GAP_LOW 0.1351 0.0 ibandronate Low-priority: Computational docking phenylephrine vs pagets_disease_of_bone targets. Cross-check phenylephrine pharmacophore against pagets_disease_of_bone pathway. promethazine sarcoma GAP_HIGH 0.135 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.50) toremifene meningioma GAP_HIGH 0.135 0.5 methadone High-priority: Binding assay toremifene→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.50) atomoxetine pancreatic_cancer GAP_HIGH 0.135 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in pancreatic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) drostanolone panic_disorder GAP_HIGH 0.135 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.32) estradiol_valeratedienogest vitiligo GAP_HIGH 0.135 0.3125 exemestane High-priority: Binding assay estradiol_valeratedienogest→?; validate in vitiligo cell model. Expected: similar to exemestane (Jaccard=0.31) thalidomide epilepsy_syndrome GAP_HIGH 0.135 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in epilepsy_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide duodenum_cancer GAP_HIGH 0.135 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) thalidomide gallbladder_cancer GAP_HIGH 0.135 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) thalidomide melanoma GAP_HIGH 0.135 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in melanoma cell model. Expected: similar to doxorubicin (Jaccard=0.27) prednicarbate esophageal_cancer GAP_HIGH 0.135 0.2631578947368421 fludrocortisone High-priority: Binding assay prednicarbate→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.26) droperidol penile_cancer GAP_HIGH 0.135 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) dextroamphetamine acquired_immunodeficiency_syndrome GAP_HIGH 0.135 0.23076923076923078 mitiglinide High-priority: Binding assay dextroamphetamine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.23) phenformin hepatitis_b GAP_HIGH 0.135 0.2222222222222222 mitiglinide High-priority: Binding assay phenformin→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.22) benzocaine malignant_mesothelioma GAP_HIGH 0.135 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.20) methyclothiazide azoospermia GAP_HIGH 0.135 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.18) codeine celiac_disease GAP_HIGH 0.135 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.18) adenosine head_and_neck_cancer GAP_HIGH 0.135 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) adenosine malignant_glioma GAP_HIGH 0.135 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.17) anisindione crohns_disease GAP_HIGH 0.135 0.16666666666666666 phenindamine High-priority: Binding assay anisindione→?; validate in crohns_disease cell model. Expected: similar to phenindamine (Jaccard=0.17) captopril migraine GAP_HIGH 0.135 0.15384615384615385 lisinopril High-priority: Binding assay captopril→?; validate in migraine cell model. Expected: similar to lisinopril (Jaccard=0.15) ephedrine malaria GAP_HIGH 0.135 0.15384615384615385 tranylcypromine High-priority: Binding assay ephedrine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.15) ephedrine dilated_cardiomyopathy GAP_LOW 0.135 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs dilated_cardiomyopathy targets. Cross-check ephedrine pharmacophore against dilated_cardiomyopathy pathway. pravastatin sclerosing_cholangitis GAP_LOW 0.135 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs sclerosing_cholangitis targets. Cross-check pravastatin pharmacophore against sclerosing_cholangitis pathway. etonogestrel leprosy GAP_LOW 0.135 0.1 menadione Low-priority: Computational docking etonogestrel vs leprosy targets. Cross-check etonogestrel pharmacophore against leprosy pathway. glimepiride uterine_cancer GAP_LOW 0.135 0.1 aspartame Low-priority: Computational docking glimepiride vs uterine_cancer targets. Cross-check glimepiride pharmacophore against uterine_cancer pathway. nilvadipine membranous_glomerulonephritis GAP_LOW 0.135 0.1 naftifine Low-priority: Computational docking nilvadipine vs membranous_glomerulonephritis targets. Cross-check nilvadipine pharmacophore against membranous_glomerulonephritis pathway. olmesartan membranous_glomerulonephritis GAP_LOW 0.135 0.09090909090909091 alvimopan Low-priority: Computational docking olmesartan vs membranous_glomerulonephritis targets. Cross-check olmesartan pharmacophore against membranous_glomerulonephritis pathway. pentobarbital melanoma GAP_LOW 0.135 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs melanoma targets. Cross-check pentobarbital pharmacophore against melanoma pathway. methylphenobarbital kidney_cancer GAP_LOW 0.135 0.08333333333333333 pantoprazole Low-priority: Computational docking methylphenobarbital vs kidney_cancer targets. Cross-check methylphenobarbital pharmacophore against kidney_cancer pathway. talbutal creutzfeldt-jakob_disease GAP_LOW 0.135 0.08 phenytoin Low-priority: Computational docking talbutal vs creutzfeldt-jakob_disease targets. Cross-check talbutal pharmacophore against creutzfeldt-jakob_disease pathway. benzthiazide acquired_immunodeficiency_syndrome GAP_LOW 0.135 0.058823529411764705 nateglinide Low-priority: Computational docking benzthiazide vs acquired_immunodeficiency_syndrome targets. Cross-check benzthiazide pharmacophore against acquired_immunodeficiency_syndrome pathway. esmolol alcohol_dependence GAP_LOW 0.135 0.05555555555555555 levorphanol Low-priority: Computational docking esmolol vs alcohol_dependence targets. Cross-check esmolol pharmacophore against alcohol_dependence pathway. ibuprofen alcohol_dependence GAP_LOW 0.135 0.0 midazolam Low-priority: Computational docking ibuprofen vs alcohol_dependence targets. Cross-check ibuprofen pharmacophore against alcohol_dependence pathway. losartan alcohol_dependence GAP_LOW 0.135 0.0 midazolam Low-priority: Computational docking losartan vs alcohol_dependence targets. Cross-check losartan pharmacophore against alcohol_dependence pathway. methacholine alcohol_dependence GAP_LOW 0.135 0.0 midazolam Low-priority: Computational docking methacholine vs alcohol_dependence targets. Cross-check methacholine pharmacophore against alcohol_dependence pathway. valsartan alcohol_dependence GAP_LOW 0.135 0.0 midazolam Low-priority: Computational docking valsartan vs alcohol_dependence targets. Cross-check valsartan pharmacophore against alcohol_dependence pathway. chlorcyclizine alcohol_dependence GAP_HIGH 0.1349 0.3333333333333333 temazepam High-priority: Binding assay chlorcyclizine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.33) drostanolone conduct_disorder GAP_HIGH 0.1349 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.32) gemcitabine kidney_cancer GAP_HIGH 0.1349 0.2857142857142857 lamivudine High-priority: Binding assay gemcitabine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) exemestane alcohol_dependence GAP_HIGH 0.1349 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.28) l-phenylalanine osteoporosis GAP_HIGH 0.1349 0.2727272727272727 dextroamphetamine High-priority: Binding assay l-phenylalanine→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.27) flurazepam urinary_bladder_cancer GAP_HIGH 0.1349 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in urinary_bladder_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) dapsone vaginal_cancer GAP_HIGH 0.1349 0.25 sulfapyridine High-priority: Binding assay dapsone→?; validate in vaginal_cancer cell model. Expected: similar to sulfapyridine (Jaccard=0.25) ponatinib pancreatitis GAP_HIGH 0.1349 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in pancreatitis cell model. Expected: similar to sunitinib (Jaccard=0.25) dobutamine penile_cancer GAP_HIGH 0.1349 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.22) melatonin membranous_glomerulonephritis GAP_HIGH 0.1349 0.2 trifluoperazine High-priority: Binding assay melatonin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.20) moexipril osteoarthritis GAP_HIGH 0.1349 0.2 cyclandelate High-priority: Binding assay moexipril→?; validate in osteoarthritis cell model. Expected: similar to cyclandelate (Jaccard=0.20) orphenadrine alcohol_dependence GAP_HIGH 0.1349 0.1875 ethylmorphine High-priority: Binding assay orphenadrine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.19) tolazamide meningioma GAP_LOW 0.1349 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs meningioma targets. Cross-check tolazamide pharmacophore against meningioma pathway. treprostinil breast_cancer GAP_LOW 0.1349 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs breast_cancer targets. Cross-check treprostinil pharmacophore against breast_cancer pathway. treprostinil colon_cancer GAP_LOW 0.1349 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs colon_cancer targets. Cross-check treprostinil pharmacophore against colon_cancer pathway. glutethimide meningioma GAP_LOW 0.1349 0.10256410256410256 diphenylpyraline Low-priority: Computational docking glutethimide vs meningioma targets. Cross-check glutethimide pharmacophore against meningioma pathway. flutamide idiopathic_pulmonary_fibrosis GAP_LOW 0.1349 0.1 spironolactone Low-priority: Computational docking flutamide vs idiopathic_pulmonary_fibrosis targets. Cross-check flutamide pharmacophore against idiopathic_pulmonary_fibrosis pathway. carvedilol alopecia_areata GAP_LOW 0.1349 0.09090909090909091 dexamethasone Low-priority: Computational docking carvedilol vs alopecia_areata targets. Cross-check carvedilol pharmacophore against alopecia_areata pathway. riboflavin panic_disorder GAP_LOW 0.1349 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs panic_disorder targets. Cross-check riboflavin pharmacophore against panic_disorder pathway. riboflavin schizophrenia GAP_LOW 0.1349 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs schizophrenia targets. Cross-check riboflavin pharmacophore against schizophrenia pathway. methylphenobarbital nephrolithiasis GAP_LOW 0.1349 0.08333333333333333 pantoprazole Low-priority: Computational docking methylphenobarbital vs nephrolithiasis targets. Cross-check methylphenobarbital pharmacophore against nephrolithiasis pathway. glimepiride azoospermia GAP_LOW 0.1349 0.07692307692307693 aprindine Low-priority: Computational docking glimepiride vs azoospermia targets. Cross-check glimepiride pharmacophore against azoospermia pathway. quazepam salivary_gland_cancer GAP_LOW 0.1349 0.07692307692307693 practolol Low-priority: Computational docking quazepam vs salivary_gland_cancer targets. Cross-check quazepam pharmacophore against salivary_gland_cancer pathway. tetracycline type_1_diabetes_mellitus GAP_LOW 0.1349 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs type_1_diabetes_mellitus targets. Cross-check tetracycline pharmacophore against type_1_diabetes_mellitus pathway. butabarbital glaucoma GAP_LOW 0.1349 0.05555555555555555 chlorphenesin Low-priority: Computational docking butabarbital vs glaucoma targets. Cross-check butabarbital pharmacophore against glaucoma pathway. l-cystine systemic_scleroderma GAP_LOW 0.1349 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs systemic_scleroderma targets. Cross-check l-cystine pharmacophore against systemic_scleroderma pathway. thioproperazine mediastinal_cancer GAP_HIGH 0.1348 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) atomoxetine sarcoma GAP_HIGH 0.1348 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.44) drospirenone esophageal_cancer GAP_HIGH 0.1348 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in esophageal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) flurbiprofen azoospermia GAP_HIGH 0.1348 0.4117647058823529 chlorpromazine High-priority: Binding assay flurbiprofen→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.41) phensuximide duodenum_cancer GAP_HIGH 0.1348 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in duodenum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide gallbladder_cancer GAP_HIGH 0.1348 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in gallbladder_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) tolterodine uterine_fibroid GAP_HIGH 0.1348 0.3333333333333333 carbamazepine High-priority: Binding assay tolterodine→?; validate in uterine_fibroid cell model. Expected: similar to carbamazepine (Jaccard=0.33) drostanolone bipolar_disorder GAP_HIGH 0.1348 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.32) sulfapyridine coronary_artery_disease GAP_HIGH 0.1348 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in coronary_artery_disease cell model. Expected: similar to olsalazine (Jaccard=0.29) eplerenone malignant_mesothelioma GAP_HIGH 0.1348 0.2857142857142857 exemestane High-priority: Binding assay eplerenone→?; validate in malignant_mesothelioma cell model. Expected: similar to exemestane (Jaccard=0.29) procaine malaria GAP_HIGH 0.1348 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in malaria cell model. Expected: similar to sulfanilamide (Jaccard=0.29) thalidomide pancreatitis GAP_HIGH 0.1348 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) ziprasidone sclerosing_cholangitis GAP_HIGH 0.1348 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.25) cladribine kidney_cancer GAP_HIGH 0.1348 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) cinchocaine celiac_disease GAP_HIGH 0.1348 0.21739130434782608 sulfanilamide High-priority: Binding assay cinchocaine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.22) flavin_adenine_dinucleotide breast_cancer GAP_HIGH 0.1348 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in breast_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) l-aspartic_acid type_2_diabetes_mellitus GAP_HIGH 0.1348 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to l-lysine (Jaccard=0.15) terbutaline leprosy GAP_LOW 0.1348 0.125 lenalidomide Low-priority: Computational docking terbutaline vs leprosy targets. Cross-check terbutaline pharmacophore against leprosy pathway. clofibrate esophageal_cancer GAP_LOW 0.1348 0.1111111111111111 topotecan Low-priority: Computational docking clofibrate vs esophageal_cancer targets. Cross-check clofibrate pharmacophore against esophageal_cancer pathway. aminoglutethimide salivary_gland_cancer GAP_LOW 0.1348 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs salivary_gland_cancer targets. Cross-check aminoglutethimide pharmacophore against salivary_gland_cancer pathway. eprosartan penile_cancer GAP_LOW 0.1348 0.1 procaine Low-priority: Computational docking eprosartan vs penile_cancer targets. Cross-check eprosartan pharmacophore against penile_cancer pathway. heptabarbital salivary_gland_cancer GAP_LOW 0.1348 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs salivary_gland_cancer targets. Cross-check heptabarbital pharmacophore against salivary_gland_cancer pathway. riboflavin asthma GAP_LOW 0.1348 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs asthma targets. Cross-check riboflavin pharmacophore against asthma pathway. riboflavin atopic_dermatitis GAP_LOW 0.1348 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs atopic_dermatitis targets. Cross-check riboflavin pharmacophore against atopic_dermatitis pathway. riboflavin breast_cancer GAP_LOW 0.1348 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs breast_cancer targets. Cross-check riboflavin pharmacophore against breast_cancer pathway. riboflavin conduct_disorder GAP_LOW 0.1348 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs conduct_disorder targets. Cross-check riboflavin pharmacophore against conduct_disorder pathway. riboflavin hypertension GAP_LOW 0.1348 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs hypertension targets. Cross-check riboflavin pharmacophore against hypertension pathway. riboflavin idiopathic_pulmonary_fibrosis GAP_LOW 0.1348 0.06896551724137931 propafenone Low-priority: Computational docking riboflavin vs idiopathic_pulmonary_fibrosis targets. Cross-check riboflavin pharmacophore against idiopathic_pulmonary_fibrosis pathway. codeine leprosy GAP_LOW 0.1348 0.06 phensuximide Low-priority: Computational docking codeine vs leprosy targets. Cross-check codeine pharmacophore against leprosy pathway. l-cystine focal_segmental_glomerulosclerosis GAP_LOW 0.1348 0.0 methdilazine Low-priority: Computational docking l-cystine vs focal_segmental_glomerulosclerosis targets. Cross-check l-cystine pharmacophore against focal_segmental_glomerulosclerosis pathway. orlistat focal_segmental_glomerulosclerosis GAP_LOW 0.1348 0.0 methdilazine Low-priority: Computational docking orlistat vs focal_segmental_glomerulosclerosis targets. Cross-check orlistat pharmacophore against focal_segmental_glomerulosclerosis pathway. thioproperazine thymus_cancer GAP_HIGH 0.1347 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) clofedanol esophageal_cancer GAP_HIGH 0.1347 0.4642857142857143 toremifene High-priority: Binding assay clofedanol→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.46) lacosamide rheumatoid_arthritis GAP_HIGH 0.1347 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in rheumatoid_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) beclomethasone amyotrophic_lateral_sclerosis GAP_HIGH 0.1347 0.38095238095238093 fludrocortisone High-priority: Binding assay beclomethasone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.38) benzphetamine gilles_de_la_tourette_syndrome GAP_HIGH 0.1347 0.3333333333333333 pheniramine High-priority: Binding assay benzphetamine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to pheniramine (Jaccard=0.33) isopropamide type_1_diabetes_mellitus GAP_HIGH 0.1347 0.3333333333333333 benzatropine High-priority: Binding assay isopropamide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.33) drostanolone endogenous_depression GAP_HIGH 0.1347 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.32) sulfapyridine hematologic_cancer GAP_HIGH 0.1347 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in hematologic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.29) salbutamol melanoma GAP_HIGH 0.1347 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.25) topotecan alopecia_areata GAP_HIGH 0.1347 0.25 alclometasone High-priority: Binding assay topotecan→?; validate in alopecia_areata cell model. Expected: similar to alclometasone (Jaccard=0.25) tamsulosin thyroid_cancer GAP_HIGH 0.1347 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in thyroid_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) bepotastine penile_cancer GAP_HIGH 0.1347 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol malignant_mesothelioma GAP_HIGH 0.1347 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in malignant_mesothelioma cell model. Expected: similar to loperamide (Jaccard=0.24) tolazoline stomach_cancer GAP_HIGH 0.1347 0.22727272727272727 phenacemide High-priority: Binding assay tolazoline→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) cladribine nephrolithiasis GAP_HIGH 0.1347 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.22) dobutamine malignant_mesothelioma GAP_HIGH 0.1347 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.22) fenbufen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1347 0.21428571428571427 ephedrine High-priority: Binding assay fenbufen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.21) flavin_adenine_dinucleotide colon_cancer GAP_HIGH 0.1347 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in colon_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) norepinephrine prostate_cancer GAP_HIGH 0.1347 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) zolpidem uterine_fibroid GAP_HIGH 0.1347 0.2 bromfenac High-priority: Binding assay zolpidem→?; validate in uterine_fibroid cell model. Expected: similar to bromfenac (Jaccard=0.20) l-aspartic_acid vitiligo GAP_HIGH 0.1347 0.15384615384615385 l-lysine High-priority: Binding assay l-aspartic_acid→?; validate in vitiligo cell model. Expected: similar to l-lysine (Jaccard=0.15) treprostinil pancreatic_cancer GAP_LOW 0.1347 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs pancreatic_cancer targets. Cross-check treprostinil pharmacophore against pancreatic_cancer pathway. treprostinil ulcerative_colitis GAP_LOW 0.1347 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs ulcerative_colitis targets. Cross-check treprostinil pharmacophore against ulcerative_colitis pathway. amphetamine alopecia_areata GAP_LOW 0.1347 0.1111111111111111 dexamethasone Low-priority: Computational docking amphetamine vs alopecia_areata targets. Cross-check amphetamine pharmacophore against alopecia_areata pathway. riboflavin allergic_rhinitis GAP_LOW 0.1347 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs allergic_rhinitis targets. Cross-check riboflavin pharmacophore against allergic_rhinitis pathway. riboflavin bipolar_disorder GAP_LOW 0.1347 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs bipolar_disorder targets. Cross-check riboflavin pharmacophore against bipolar_disorder pathway. tauroursodeoxycholic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1347 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. nimodipine acquired_immunodeficiency_syndrome GAP_LOW 0.1347 0.0625 nateglinide Low-priority: Computational docking nimodipine vs acquired_immunodeficiency_syndrome targets. Cross-check nimodipine pharmacophore against acquired_immunodeficiency_syndrome pathway. amobarbital germ_cell_cancer GAP_LOW 0.1347 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking amobarbital vs germ_cell_cancer targets. Cross-check amobarbital pharmacophore against germ_cell_cancer pathway. amphetamine dilated_cardiomyopathy GAP_LOW 0.1347 0.05263157894736842 progesterone Low-priority: Computational docking amphetamine vs dilated_cardiomyopathy targets. Cross-check amphetamine pharmacophore against dilated_cardiomyopathy pathway. aminolevulinic_acid azoospermia GAP_LOW 0.1347 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs azoospermia targets. Cross-check aminolevulinic_acid pharmacophore against azoospermia pathway. riboflavin celiac_disease GAP_LOW 0.1347 0.05 tioguanine Low-priority: Computational docking riboflavin vs celiac_disease targets. Cross-check riboflavin pharmacophore against celiac_disease pathway. masoprocol urinary_bladder_cancer GAP_HIGH 0.1346 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in urinary_bladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.38) l-dopa type_1_diabetes_mellitus GAP_HIGH 0.1346 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to carbidopa (Jaccard=0.35) mepyramine ulcerative_colitis GAP_HIGH 0.1346 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in ulcerative_colitis cell model. Expected: similar to promethazine (Jaccard=0.27) ponatinib lung_cancer GAP_HIGH 0.1346 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in lung_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) ponatinib rectum_cancer GAP_HIGH 0.1346 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in rectum_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) dienestrol germ_cell_cancer GAP_HIGH 0.1346 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in germ_cell_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) pentostatin hypertension GAP_HIGH 0.1346 0.16666666666666666 trimetrexate High-priority: Binding assay pentostatin→?; validate in hypertension cell model. Expected: similar to trimetrexate (Jaccard=0.17) amlodipine uterine_cancer GAP_HIGH 0.1346 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) l-arginine epilepsy_syndrome GAP_HIGH 0.1346 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.15) ponatinib acquired_immunodeficiency_syndrome GAP_LOW 0.1346 0.14285714285714285 nateglinide Low-priority: Computational docking ponatinib vs acquired_immunodeficiency_syndrome targets. Cross-check ponatinib pharmacophore against acquired_immunodeficiency_syndrome pathway. treprostinil ovarian_cancer GAP_LOW 0.1346 0.14285714285714285 indecainide Low-priority: Computational docking treprostinil vs ovarian_cancer targets. Cross-check treprostinil pharmacophore against ovarian_cancer pathway. dinoprostone rheumatoid_arthritis GAP_LOW 0.1346 0.13333333333333333 pazopanib Low-priority: Computational docking dinoprostone vs rheumatoid_arthritis targets. Cross-check dinoprostone pharmacophore against rheumatoid_arthritis pathway. metolazone atherosclerosis GAP_LOW 0.1346 0.125 phenelzine Low-priority: Computational docking metolazone vs atherosclerosis targets. Cross-check metolazone pharmacophore against atherosclerosis pathway. zolmitriptan testicular_cancer GAP_LOW 0.1346 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs testicular_cancer targets. Cross-check zolmitriptan pharmacophore against testicular_cancer pathway. zolmitriptan vaginal_cancer GAP_LOW 0.1346 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs vaginal_cancer targets. Cross-check zolmitriptan pharmacophore against vaginal_cancer pathway. zolmitriptan vulva_cancer GAP_LOW 0.1346 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs vulva_cancer targets. Cross-check zolmitriptan pharmacophore against vulva_cancer pathway. pravastatin ankylosing_spondylitis GAP_LOW 0.1346 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs ankylosing_spondylitis targets. Cross-check pravastatin pharmacophore against ankylosing_spondylitis pathway. glimepiride creutzfeldt-jakob_disease GAP_LOW 0.1346 0.09090909090909091 desipramine Low-priority: Computational docking glimepiride vs creutzfeldt-jakob_disease targets. Cross-check glimepiride pharmacophore against creutzfeldt-jakob_disease pathway. heptabarbital ocular_cancer GAP_LOW 0.1346 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs ocular_cancer targets. Cross-check heptabarbital pharmacophore against ocular_cancer pathway. riboflavin endogenous_depression GAP_LOW 0.1346 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs endogenous_depression targets. Cross-check riboflavin pharmacophore against endogenous_depression pathway. quazepam ocular_cancer GAP_LOW 0.1346 0.07692307692307693 practolol Low-priority: Computational docking quazepam vs ocular_cancer targets. Cross-check quazepam pharmacophore against ocular_cancer pathway. zafirlukast leprosy GAP_LOW 0.1346 0.06666666666666667 sulfapyridine Low-priority: Computational docking zafirlukast vs leprosy targets. Cross-check zafirlukast pharmacophore against leprosy pathway. aminolevulinic_acid malignant_glioma GAP_LOW 0.1346 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs malignant_glioma targets. Cross-check aminolevulinic_acid pharmacophore against malignant_glioma pathway. l-cystine gilles_de_la_tourette_syndrome GAP_LOW 0.1346 0.0 loxapine Low-priority: Computational docking l-cystine vs gilles_de_la_tourette_syndrome targets. Cross-check l-cystine pharmacophore against gilles_de_la_tourette_syndrome pathway. orlistat gilles_de_la_tourette_syndrome GAP_LOW 0.1346 0.0 loxapine Low-priority: Computational docking orlistat vs gilles_de_la_tourette_syndrome targets. Cross-check orlistat pharmacophore against gilles_de_la_tourette_syndrome pathway. chlorprothixene gout GAP_HIGH 0.1345 0.44 methdilazine High-priority: Binding assay chlorprothixene→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.44) isoprenaline ulcerative_colitis GAP_HIGH 0.1345 0.4 droxidopa High-priority: Binding assay isoprenaline→?; validate in ulcerative_colitis cell model. Expected: similar to droxidopa (Jaccard=0.40) phensuximide creutzfeldt-jakob_disease GAP_HIGH 0.1345 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clomipramine (Jaccard=0.39) bevantolol epilepsy_syndrome GAP_HIGH 0.1345 0.36363636363636365 methocarbamol High-priority: Binding assay bevantolol→?; validate in epilepsy_syndrome cell model. Expected: similar to methocarbamol (Jaccard=0.36) aprindine gout GAP_HIGH 0.1345 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.33) brompheniramine celiac_disease GAP_HIGH 0.1345 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.33) mitiglinide coronary_artery_disease GAP_HIGH 0.1345 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in coronary_artery_disease cell model. Expected: similar to nateglinide (Jaccard=0.33) mepyramine uterine_cancer GAP_HIGH 0.1345 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in uterine_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) bepotastine malignant_mesothelioma GAP_HIGH 0.1345 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in malignant_mesothelioma cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib gout GAP_HIGH 0.1345 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.24) flavin_adenine_dinucleotide psoriasis GAP_HIGH 0.1345 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in psoriasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) norepinephrine mediastinal_cancer GAP_HIGH 0.1345 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) nimodipine liver_cancer GAP_HIGH 0.1345 0.15384615384615385 proparacaine High-priority: Binding assay nimodipine→?; validate in liver_cancer cell model. Expected: similar to proparacaine (Jaccard=0.15) tamsulosin alcohol_dependence GAP_LOW 0.1345 0.12244897959183673 mazindol Low-priority: Computational docking tamsulosin vs alcohol_dependence targets. Cross-check tamsulosin pharmacophore against alcohol_dependence pathway. zolmitriptan vascular_cancer GAP_LOW 0.1345 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs vascular_cancer targets. Cross-check zolmitriptan pharmacophore against vascular_cancer pathway. dinoprostone gout GAP_LOW 0.1345 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs gout targets. Cross-check dinoprostone pharmacophore against gout pathway. irbesartan restless_legs_syndrome GAP_LOW 0.1345 0.1111111111111111 acetylsalicylic_acid Low-priority: Computational docking irbesartan vs restless_legs_syndrome targets. Cross-check irbesartan pharmacophore against restless_legs_syndrome pathway. losartan gout GAP_LOW 0.1345 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs gout targets. Cross-check losartan pharmacophore against gout pathway. aminoglutethimide ocular_cancer GAP_LOW 0.1345 0.1 alclometasone Low-priority: Computational docking aminoglutethimide vs ocular_cancer targets. Cross-check aminoglutethimide pharmacophore against ocular_cancer pathway. valsartan membranous_glomerulonephritis GAP_LOW 0.1345 0.09090909090909091 alvimopan Low-priority: Computational docking valsartan vs membranous_glomerulonephritis targets. Cross-check valsartan pharmacophore against membranous_glomerulonephritis pathway. riboflavin migraine GAP_LOW 0.1345 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs migraine targets. Cross-check riboflavin pharmacophore against migraine pathway. riboflavin ovarian_cancer GAP_LOW 0.1345 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs ovarian_cancer targets. Cross-check riboflavin pharmacophore against ovarian_cancer pathway. riboflavin psoriasis GAP_LOW 0.1345 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs psoriasis targets. Cross-check riboflavin pharmacophore against psoriasis pathway. valsartan esophageal_cancer GAP_LOW 0.1345 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs esophageal_cancer targets. Cross-check valsartan pharmacophore against esophageal_cancer pathway. zolmitriptan alopecia_areata GAP_LOW 0.1345 0.0625 cyproterone_acetate Low-priority: Computational docking zolmitriptan vs alopecia_areata targets. Cross-check zolmitriptan pharmacophore against alopecia_areata pathway. pentobarbital brain_cancer GAP_LOW 0.1345 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking pentobarbital vs brain_cancer targets. Cross-check pentobarbital pharmacophore against brain_cancer pathway. pentobarbital intracranial_aneurysm GAP_LOW 0.1345 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking pentobarbital vs intracranial_aneurysm targets. Cross-check pentobarbital pharmacophore against intracranial_aneurysm pathway. tetracycline glaucoma GAP_LOW 0.1345 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs glaucoma targets. Cross-check tetracycline pharmacophore against glaucoma pathway. aprobarbital brain_cancer GAP_LOW 0.1345 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking aprobarbital vs brain_cancer targets. Cross-check aprobarbital pharmacophore against brain_cancer pathway. aprobarbital intracranial_aneurysm GAP_LOW 0.1345 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking aprobarbital vs intracranial_aneurysm targets. Cross-check aprobarbital pharmacophore against intracranial_aneurysm pathway. butethal brain_cancer GAP_LOW 0.1345 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking butethal vs brain_cancer targets. Cross-check butethal pharmacophore against brain_cancer pathway. butethal intracranial_aneurysm GAP_LOW 0.1345 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking butethal vs intracranial_aneurysm targets. Cross-check butethal pharmacophore against intracranial_aneurysm pathway. aminolevulinic_acid kidney_cancer GAP_LOW 0.1345 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs kidney_cancer targets. Cross-check aminolevulinic_acid pharmacophore against kidney_cancer pathway. aspartame hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking aspartame vs hypothyroidism targets. Cross-check aspartame pharmacophore against hypothyroidism pathway. chloroprocaine hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking chloroprocaine vs hypothyroidism targets. Cross-check chloroprocaine pharmacophore against hypothyroidism pathway. floctafenine hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking floctafenine vs hypothyroidism targets. Cross-check floctafenine pharmacophore against hypothyroidism pathway. indapamide hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking indapamide vs hypothyroidism targets. Cross-check indapamide pharmacophore against hypothyroidism pathway. nitrazepam hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking nitrazepam vs hypothyroidism targets. Cross-check nitrazepam pharmacophore against hypothyroidism pathway. orlistat type_1_diabetes_mellitus GAP_LOW 0.1345 0.0 hydrocortisone Low-priority: Computational docking orlistat vs type_1_diabetes_mellitus targets. Cross-check orlistat pharmacophore against type_1_diabetes_mellitus pathway. procaine hypothyroidism GAP_LOW 0.1345 0.0 methimazole Low-priority: Computational docking procaine vs hypothyroidism targets. Cross-check procaine pharmacophore against hypothyroidism pathway. diphenhydramine pharynx_cancer GAP_HIGH 0.1344 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.52) toremifene idiopathic_pulmonary_fibrosis GAP_HIGH 0.1344 0.5 diethylstilbestrol High-priority: Binding assay toremifene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diethylstilbestrol (Jaccard=0.50) naftifine thyroid_cancer GAP_HIGH 0.1344 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in thyroid_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) diphenhydramine malaria GAP_HIGH 0.1344 0.42857142857142855 modafinil High-priority: Binding assay diphenhydramine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.43) oxaprozin chronic_kidney_failure GAP_HIGH 0.1344 0.4 chlorthalidone High-priority: Binding assay oxaprozin→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorthalidone (Jaccard=0.40) lacosamide psoriatic_arthritis GAP_HIGH 0.1344 0.38461538461538464 phentermine High-priority: Binding assay lacosamide→?; validate in psoriatic_arthritis cell model. Expected: similar to phentermine (Jaccard=0.38) phenprocoumon duodenum_cancer GAP_HIGH 0.1344 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) phenprocoumon gallbladder_cancer GAP_HIGH 0.1344 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) afatinib type_2_diabetes_mellitus GAP_HIGH 0.1344 0.3333333333333333 lapatinib High-priority: Binding assay afatinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to lapatinib (Jaccard=0.33) diethylpropion breast_cancer GAP_HIGH 0.1344 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) thalidomide alzheimers_disease GAP_HIGH 0.1344 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in alzheimers_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide parkinsons_disease GAP_HIGH 0.1344 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in parkinsons_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) sulfadiazine narcolepsy GAP_HIGH 0.1344 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in narcolepsy cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) flurazepam stomach_cancer GAP_HIGH 0.1344 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in stomach_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) ponatinib liver_cancer GAP_HIGH 0.1344 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in liver_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) salbutamol sclerosing_cholangitis GAP_HIGH 0.1344 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.25) benzocaine meningioma GAP_HIGH 0.1344 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in meningioma cell model. Expected: similar to topotecan (Jaccard=0.20) dipivefrin celiac_disease GAP_HIGH 0.1344 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.20) disopyramide refractive_error GAP_HIGH 0.1344 0.2 metaraminol High-priority: Binding assay disopyramide→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) norepinephrine thymus_cancer GAP_HIGH 0.1344 0.2 vincristine High-priority: Binding assay norepinephrine→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) milnacipran focal_segmental_glomerulosclerosis GAP_HIGH 0.1344 0.18181818181818182 promethazine High-priority: Binding assay milnacipran→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.18) cyproterone_acetate alcohol_dependence GAP_HIGH 0.1344 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in alcohol_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.17) pentostatin psoriasis GAP_HIGH 0.1344 0.16666666666666666 tetrahydrofolic_acid High-priority: Binding assay pentostatin→?; validate in psoriasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.17) norepinephrine lymphatic_system_cancer GAP_LOW 0.1344 0.14285714285714285 streptozocin Low-priority: Computational docking norepinephrine vs lymphatic_system_cancer targets. Cross-check norepinephrine pharmacophore against lymphatic_system_cancer pathway. candesartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1344 0.1111111111111111 dipivefrin Low-priority: Computational docking candesartan vs chronic_obstructive_pulmonary_disease targets. Cross-check candesartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. pravastatin chronic_obstructive_pulmonary_disease GAP_LOW 0.1344 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs chronic_obstructive_pulmonary_disease targets. Cross-check pravastatin pharmacophore against chronic_obstructive_pulmonary_disease pathway. nilotinib gestational_diabetes GAP_LOW 0.1344 0.10526315789473684 gliclazide Low-priority: Computational docking nilotinib vs gestational_diabetes targets. Cross-check nilotinib pharmacophore against gestational_diabetes pathway. glimepiride testicular_cancer GAP_LOW 0.1344 0.1 aspartame Low-priority: Computational docking glimepiride vs testicular_cancer targets. Cross-check glimepiride pharmacophore against testicular_cancer pathway. glimepiride vaginal_cancer GAP_LOW 0.1344 0.1 aspartame Low-priority: Computational docking glimepiride vs vaginal_cancer targets. Cross-check glimepiride pharmacophore against vaginal_cancer pathway. glimepiride vulva_cancer GAP_LOW 0.1344 0.1 aspartame Low-priority: Computational docking glimepiride vs vulva_cancer targets. Cross-check glimepiride pharmacophore against vulva_cancer pathway. glipizide membranous_glomerulonephritis GAP_LOW 0.1344 0.1 aciclovir Low-priority: Computational docking glipizide vs membranous_glomerulonephritis targets. Cross-check glipizide pharmacophore against membranous_glomerulonephritis pathway. olmesartan hematologic_cancer GAP_LOW 0.1344 0.1 aspartame Low-priority: Computational docking olmesartan vs hematologic_cancer targets. Cross-check olmesartan pharmacophore against hematologic_cancer pathway. olmesartan narcolepsy GAP_LOW 0.1344 0.1 aspartame Low-priority: Computational docking olmesartan vs narcolepsy targets. Cross-check olmesartan pharmacophore against narcolepsy pathway. glimepiride germ_cell_cancer GAP_LOW 0.1344 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs germ_cell_cancer targets. Cross-check glimepiride pharmacophore against germ_cell_cancer pathway. glipizide malaria GAP_LOW 0.1344 0.058823529411764705 pentobarbital Low-priority: Computational docking glipizide vs malaria targets. Cross-check glipizide pharmacophore against malaria pathway. heptabarbital malignant_glioma GAP_LOW 0.1344 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking heptabarbital vs malignant_glioma targets. Cross-check heptabarbital pharmacophore against malignant_glioma pathway. aminolevulinic_acid nephrolithiasis GAP_LOW 0.1344 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs nephrolithiasis targets. Cross-check aminolevulinic_acid pharmacophore against nephrolithiasis pathway. methohexital type_1_diabetes_mellitus GAP_LOW 0.1344 0.043478260869565216 tolbutamide Low-priority: Computational docking methohexital vs type_1_diabetes_mellitus targets. Cross-check methohexital pharmacophore against type_1_diabetes_mellitus pathway. l-cystine vitiligo GAP_LOW 0.1344 0.038461538461538464 fluticasone_propionate Low-priority: Computational docking l-cystine vs vitiligo targets. Cross-check l-cystine pharmacophore against vitiligo pathway. promethazine vascular_cancer GAP_HIGH 0.1343 0.5 tamoxifen High-priority: Binding assay promethazine→?; validate in vascular_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.50) naftifine penile_cancer GAP_HIGH 0.1343 0.41379310344827586 methadone High-priority: Binding assay naftifine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.41) tolmetin narcolepsy GAP_HIGH 0.1343 0.3 naproxen High-priority: Binding assay tolmetin→?; validate in narcolepsy cell model. Expected: similar to naproxen (Jaccard=0.30) diethylpropion colon_cancer GAP_HIGH 0.1343 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) lapatinib prostate_cancer GAP_HIGH 0.1343 0.2727272727272727 erlotinib High-priority: Binding assay lapatinib→?; validate in prostate_cancer cell model. Expected: similar to erlotinib (Jaccard=0.27) lidocaine azoospermia GAP_HIGH 0.1343 0.2727272727272727 procaine High-priority: Binding assay lidocaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.27) phenformin urinary_bladder_cancer GAP_HIGH 0.1343 0.2727272727272727 lacosamide High-priority: Binding assay phenformin→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) thalidomide amyotrophic_lateral_sclerosis GAP_HIGH 0.1343 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) prednicarbate type_1_diabetes_mellitus GAP_HIGH 0.1343 0.2631578947368421 fludrocortisone High-priority: Binding assay prednicarbate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.26) flurazepam pancreatic_cancer GAP_HIGH 0.1343 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in pancreatic_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) levomilnacipran thyroid_cancer GAP_HIGH 0.1343 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) olanzapine focal_segmental_glomerulosclerosis GAP_HIGH 0.1343 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) pimozide gilles_de_la_tourette_syndrome GAP_HIGH 0.1343 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) melatonin pancreatitis GAP_HIGH 0.1343 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in pancreatitis cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) metaraminol vascular_cancer GAP_HIGH 0.1343 0.2 ethopropazine High-priority: Binding assay metaraminol→?; validate in vascular_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.20) flavin_adenine_dinucleotide celiac_disease GAP_HIGH 0.1343 0.16666666666666666 tioguanine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in celiac_disease cell model. Expected: similar to tioguanine (Jaccard=0.17) pentostatin migraine GAP_HIGH 0.1343 0.16666666666666666 trimetrexate High-priority: Binding assay pentostatin→?; validate in migraine cell model. Expected: similar to trimetrexate (Jaccard=0.17) pentostatin osteoporosis GAP_HIGH 0.1343 0.16666666666666666 ribavirin High-priority: Binding assay pentostatin→?; validate in osteoporosis cell model. Expected: similar to ribavirin (Jaccard=0.17) colchicine glaucoma GAP_LOW 0.1343 0.14285714285714285 l-carnitine Low-priority: Computational docking colchicine vs glaucoma targets. Cross-check colchicine pharmacophore against glaucoma pathway. arformoterol acquired_immunodeficiency_syndrome GAP_LOW 0.1343 0.125 nateglinide Low-priority: Computational docking arformoterol vs acquired_immunodeficiency_syndrome targets. Cross-check arformoterol pharmacophore against acquired_immunodeficiency_syndrome pathway. emtricitabine crohns_disease GAP_LOW 0.1343 0.125 tioguanine Low-priority: Computational docking emtricitabine vs crohns_disease targets. Cross-check emtricitabine pharmacophore against crohns_disease pathway. l-arginine celiac_disease GAP_LOW 0.1343 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs celiac_disease targets. Cross-check l-arginine pharmacophore against celiac_disease pathway. pravastatin epilepsy_syndrome GAP_LOW 0.1343 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs epilepsy_syndrome targets. Cross-check pravastatin pharmacophore against epilepsy_syndrome pathway. glisoxepide membranous_glomerulonephritis GAP_LOW 0.1343 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs membranous_glomerulonephritis targets. Cross-check glisoxepide pharmacophore against membranous_glomerulonephritis pathway. pentobarbital pharynx_cancer GAP_LOW 0.1343 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs pharynx_cancer targets. Cross-check pentobarbital pharmacophore against pharynx_cancer pathway. olmesartan azoospermia GAP_LOW 0.1343 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs azoospermia targets. Cross-check olmesartan pharmacophore against azoospermia pathway. quazepam peripheral_nervous_system_neoplasm GAP_LOW 0.1343 0.07692307692307693 practolol Low-priority: Computational docking quazepam vs peripheral_nervous_system_neoplasm targets. Cross-check quazepam pharmacophore against peripheral_nervous_system_neoplasm pathway. zolmitriptan refractive_error GAP_LOW 0.1343 0.07692307692307693 metaraminol Low-priority: Computational docking zolmitriptan vs refractive_error targets. Cross-check zolmitriptan pharmacophore against refractive_error pathway. glipizide larynx_cancer GAP_LOW 0.1343 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs larynx_cancer targets. Cross-check glipizide pharmacophore against larynx_cancer pathway. olmesartan esophageal_cancer GAP_LOW 0.1343 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs esophageal_cancer targets. Cross-check olmesartan pharmacophore against esophageal_cancer pathway. riboflavin prostate_cancer GAP_LOW 0.1343 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs prostate_cancer targets. Cross-check riboflavin pharmacophore against prostate_cancer pathway. labetalol atherosclerosis GAP_LOW 0.1343 0.043478260869565216 bezafibrate Low-priority: Computational docking labetalol vs atherosclerosis targets. Cross-check labetalol pharmacophore against atherosclerosis pathway. amiloride gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking amiloride vs gestational_diabetes targets. Cross-check amiloride pharmacophore against gestational_diabetes pathway. baclofen bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking baclofen vs bone_cancer targets. Cross-check baclofen pharmacophore against bone_cancer pathway. benazepril gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking benazepril vs gestational_diabetes targets. Cross-check benazepril pharmacophore against gestational_diabetes pathway. candesartan bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking candesartan vs bone_cancer targets. Cross-check candesartan pharmacophore against bone_cancer pathway. candesartan gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking candesartan vs gestational_diabetes targets. Cross-check candesartan pharmacophore against gestational_diabetes pathway. captopril bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking captopril vs bone_cancer targets. Cross-check captopril pharmacophore against bone_cancer pathway. carprofen bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking carprofen vs bone_cancer targets. Cross-check carprofen pharmacophore against bone_cancer pathway. carvedilol bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking carvedilol vs bone_cancer targets. Cross-check carvedilol pharmacophore against bone_cancer pathway. cilazapril bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking cilazapril vs bone_cancer targets. Cross-check cilazapril pharmacophore against bone_cancer pathway. cilazapril gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking cilazapril vs gestational_diabetes targets. Cross-check cilazapril pharmacophore against gestational_diabetes pathway. dextropropoxyphene bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking dextropropoxyphene vs bone_cancer targets. Cross-check dextropropoxyphene pharmacophore against bone_cancer pathway. estriol bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking estriol vs bone_cancer targets. Cross-check estriol pharmacophore against bone_cancer pathway. estriol gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking estriol vs gestational_diabetes targets. Cross-check estriol pharmacophore against gestational_diabetes pathway. estropipate bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking estropipate vs bone_cancer targets. Cross-check estropipate pharmacophore against bone_cancer pathway. estropipate gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking estropipate vs gestational_diabetes targets. Cross-check estropipate pharmacophore against gestational_diabetes pathway. flutamide bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking flutamide vs bone_cancer targets. Cross-check flutamide pharmacophore against bone_cancer pathway. flutamide gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking flutamide vs gestational_diabetes targets. Cross-check flutamide pharmacophore against gestational_diabetes pathway. glimepiride bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking glimepiride vs bone_cancer targets. Cross-check glimepiride pharmacophore against bone_cancer pathway. glipizide bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking glipizide vs bone_cancer targets. Cross-check glipizide pharmacophore against bone_cancer pathway. labetalol bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking labetalol vs bone_cancer targets. Cross-check labetalol pharmacophore against bone_cancer pathway. mannitol bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking mannitol vs bone_cancer targets. Cross-check mannitol pharmacophore against bone_cancer pathway. mannitol gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking mannitol vs gestational_diabetes targets. Cross-check mannitol pharmacophore against gestational_diabetes pathway. nicardipine bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking nicardipine vs bone_cancer targets. Cross-check nicardipine pharmacophore against bone_cancer pathway. nicardipine gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking nicardipine vs gestational_diabetes targets. Cross-check nicardipine pharmacophore against gestational_diabetes pathway. nilvadipine bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking nilvadipine vs bone_cancer targets. Cross-check nilvadipine pharmacophore against bone_cancer pathway. nilvadipine gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking nilvadipine vs gestational_diabetes targets. Cross-check nilvadipine pharmacophore against gestational_diabetes pathway. nitisinone bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking nitisinone vs bone_cancer targets. Cross-check nitisinone pharmacophore against bone_cancer pathway. nitisinone gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking nitisinone vs gestational_diabetes targets. Cross-check nitisinone pharmacophore against gestational_diabetes pathway. olmesartan bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking olmesartan vs bone_cancer targets. Cross-check olmesartan pharmacophore against bone_cancer pathway. pravastatin bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking pravastatin vs bone_cancer targets. Cross-check pravastatin pharmacophore against bone_cancer pathway. pravastatin gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking pravastatin vs gestational_diabetes targets. Cross-check pravastatin pharmacophore against gestational_diabetes pathway. quinapril bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking quinapril vs bone_cancer targets. Cross-check quinapril pharmacophore against bone_cancer pathway. quinapril gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking quinapril vs gestational_diabetes targets. Cross-check quinapril pharmacophore against gestational_diabetes pathway. ranolazine bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking ranolazine vs bone_cancer targets. Cross-check ranolazine pharmacophore against bone_cancer pathway. solifenacin bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking solifenacin vs bone_cancer targets. Cross-check solifenacin pharmacophore against bone_cancer pathway. spirapril bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking spirapril vs bone_cancer targets. Cross-check spirapril pharmacophore against bone_cancer pathway. spirapril gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking spirapril vs gestational_diabetes targets. Cross-check spirapril pharmacophore against gestational_diabetes pathway. tauroursodeoxycholic_acid bone_cancer GAP_LOW 0.1343 0.0 ibandronate Low-priority: Computational docking tauroursodeoxycholic_acid vs bone_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against bone_cancer pathway. tauroursodeoxycholic_acid gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking tauroursodeoxycholic_acid vs gestational_diabetes targets. Cross-check tauroursodeoxycholic_acid pharmacophore against gestational_diabetes pathway. trimethoprim gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking trimethoprim vs gestational_diabetes targets. Cross-check trimethoprim pharmacophore against gestational_diabetes pathway. vitamin_c gestational_diabetes GAP_LOW 0.1343 0.0 tolazamide Low-priority: Computational docking vitamin_c vs gestational_diabetes targets. Cross-check vitamin_c pharmacophore against gestational_diabetes pathway. drostanolone metabolic_syndrome_x GAP_HIGH 0.1342 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in metabolic_syndrome_x cell model. Expected: similar to levorphanol (Jaccard=0.32) diethylpropion ulcerative_colitis GAP_HIGH 0.1342 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in ulcerative_colitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) tamsulosin muscle_cancer GAP_HIGH 0.1342 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in muscle_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) droperidol meningioma GAP_HIGH 0.1342 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene azoospermia GAP_HIGH 0.1342 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in azoospermia cell model. Expected: similar to loperamide (Jaccard=0.24) regadenoson type_2_diabetes_mellitus GAP_HIGH 0.1342 0.21052631578947367 gemcitabine High-priority: Binding assay regadenoson→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.21) codeine crohns_disease GAP_HIGH 0.1342 0.1875 bepridil High-priority: Binding assay codeine→?; validate in crohns_disease cell model. Expected: similar to bepridil (Jaccard=0.19) pirbuterol lymphatic_system_cancer GAP_HIGH 0.1342 0.16666666666666666 streptozocin High-priority: Binding assay pirbuterol→?; validate in lymphatic_system_cancer cell model. Expected: similar to streptozocin (Jaccard=0.17) methocarbamol muscle_cancer GAP_HIGH 0.1342 0.15384615384615385 l-phenylalanine High-priority: Binding assay methocarbamol→?; validate in muscle_cancer cell model. Expected: similar to l-phenylalanine (Jaccard=0.15) zolmitriptan uterine_fibroid GAP_LOW 0.1342 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs uterine_fibroid targets. Cross-check zolmitriptan pharmacophore against uterine_fibroid pathway. pravastatin pancreatitis GAP_LOW 0.1342 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs pancreatitis targets. Cross-check pravastatin pharmacophore against pancreatitis pathway. l-aspartic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1342 0.10526315789473684 calcium_acetate Low-priority: Computational docking l-aspartic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check l-aspartic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. zolmitriptan thyroid_cancer GAP_LOW 0.1342 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs thyroid_cancer targets. Cross-check zolmitriptan pharmacophore against thyroid_cancer pathway. dinoprostone germ_cell_cancer GAP_LOW 0.1342 0.1 prednicarbate Low-priority: Computational docking dinoprostone vs germ_cell_cancer targets. Cross-check dinoprostone pharmacophore against germ_cell_cancer pathway. heptabarbital peripheral_nervous_system_neoplasm GAP_LOW 0.1342 0.09090909090909091 pantoprazole Low-priority: Computational docking heptabarbital vs peripheral_nervous_system_neoplasm targets. Cross-check heptabarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. ziprasidone leprosy GAP_LOW 0.1342 0.09090909090909091 sulfamethizole Low-priority: Computational docking ziprasidone vs leprosy targets. Cross-check ziprasidone pharmacophore against leprosy pathway. glipizide gilles_de_la_tourette_syndrome GAP_LOW 0.1342 0.08333333333333333 alvimopan Low-priority: Computational docking glipizide vs gilles_de_la_tourette_syndrome targets. Cross-check glipizide pharmacophore against gilles_de_la_tourette_syndrome pathway. sulpiride malaria GAP_LOW 0.1342 0.07407407407407407 sulfapyridine Low-priority: Computational docking sulpiride vs malaria targets. Cross-check sulpiride pharmacophore against malaria pathway. tauroursodeoxycholic_acid hematologic_cancer GAP_LOW 0.1342 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs hematologic_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against hematologic_cancer pathway. tauroursodeoxycholic_acid narcolepsy GAP_LOW 0.1342 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs narcolepsy targets. Cross-check tauroursodeoxycholic_acid pharmacophore against narcolepsy pathway. acetylcysteine chronic_kidney_failure GAP_LOW 0.1342 0.04 floctafenine Low-priority: Computational docking acetylcysteine vs chronic_kidney_failure targets. Cross-check acetylcysteine pharmacophore against chronic_kidney_failure pathway. methadone membranous_glomerulonephritis GAP_HIGH 0.1341 0.53125 clofedanol High-priority: Binding assay methadone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clofedanol (Jaccard=0.53) trifluoperazine crohns_disease GAP_HIGH 0.1341 0.46153846153846156 pirenzepine High-priority: Binding assay trifluoperazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.46) atomoxetine vascular_cancer GAP_HIGH 0.1341 0.4444444444444444 reboxetine High-priority: Binding assay atomoxetine→?; validate in vascular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.44) drospirenone type_1_diabetes_mellitus GAP_HIGH 0.1341 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.43) methotrexate hypertension GAP_HIGH 0.1341 0.375 trimethoprim High-priority: Binding assay methotrexate→?; validate in hypertension cell model. Expected: similar to trimethoprim (Jaccard=0.38) aprindine gilles_de_la_tourette_syndrome GAP_HIGH 0.1341 0.3 tolterodine High-priority: Binding assay aprindine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to tolterodine (Jaccard=0.30) epirubicin thyroid_cancer GAP_HIGH 0.1341 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in thyroid_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) flurazepam sarcoma GAP_HIGH 0.1341 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in sarcoma cell model. Expected: similar to cinchocaine (Jaccard=0.26) olanzapine gilles_de_la_tourette_syndrome GAP_HIGH 0.1341 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to aripiprazole (Jaccard=0.25) tamsulosin lung_cancer GAP_HIGH 0.1341 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in lung_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) dobutamine meningioma GAP_HIGH 0.1341 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.22) antipyrine celiac_disease GAP_HIGH 0.1341 0.2 chlorcyclizine High-priority: Binding assay antipyrine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) anisindione narcolepsy GAP_HIGH 0.1341 0.16666666666666666 propiomazine High-priority: Binding assay anisindione→?; validate in narcolepsy cell model. Expected: similar to propiomazine (Jaccard=0.17) amlodipine skin_cancer GAP_HIGH 0.1341 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) tolazamide mediastinal_cancer GAP_LOW 0.1341 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs mediastinal_cancer targets. Cross-check tolazamide pharmacophore against mediastinal_cancer pathway. l-ornithine creutzfeldt-jakob_disease GAP_LOW 0.1341 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs creutzfeldt-jakob_disease targets. Cross-check l-ornithine pharmacophore against creutzfeldt-jakob_disease pathway. treprostinil gilles_de_la_tourette_syndrome GAP_LOW 0.1341 0.1111111111111111 tolterodine Low-priority: Computational docking treprostinil vs gilles_de_la_tourette_syndrome targets. Cross-check treprostinil pharmacophore against gilles_de_la_tourette_syndrome pathway. trimethoprim ankylosing_spondylitis GAP_LOW 0.1341 0.10526315789473684 sorafenib Low-priority: Computational docking trimethoprim vs ankylosing_spondylitis targets. Cross-check trimethoprim pharmacophore against ankylosing_spondylitis pathway. pentobarbital thyroid_cancer GAP_LOW 0.1341 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs thyroid_cancer targets. Cross-check pentobarbital pharmacophore against thyroid_cancer pathway. riboflavin metabolic_syndrome_x GAP_LOW 0.1341 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs metabolic_syndrome_x targets. Cross-check riboflavin pharmacophore against metabolic_syndrome_x pathway. calcium_acetate crohns_disease GAP_LOW 0.1341 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs crohns_disease targets. Cross-check calcium_acetate pharmacophore against crohns_disease pathway. estriol gilles_de_la_tourette_syndrome GAP_LOW 0.1341 0.07692307692307693 clotrimazole Low-priority: Computational docking estriol vs gilles_de_la_tourette_syndrome targets. Cross-check estriol pharmacophore against gilles_de_la_tourette_syndrome pathway. nilotinib leprosy GAP_LOW 0.1341 0.06666666666666667 menadione Low-priority: Computational docking nilotinib vs leprosy targets. Cross-check nilotinib pharmacophore against leprosy pathway. l-cystine creutzfeldt-jakob_disease GAP_LOW 0.1341 0.024390243902439025 l-histidine Low-priority: Computational docking l-cystine vs creutzfeldt-jakob_disease targets. Cross-check l-cystine pharmacophore against creutzfeldt-jakob_disease pathway. toremifene gout GAP_HIGH 0.134 0.5 dimetacrine High-priority: Binding assay toremifene→?; validate in gout cell model. Expected: similar to dimetacrine (Jaccard=0.50) masoprocol bipolar_disorder GAP_HIGH 0.134 0.375 mesalazine High-priority: Binding assay masoprocol→?; validate in bipolar_disorder cell model. Expected: similar to mesalazine (Jaccard=0.38) ketorolac sclerosing_cholangitis GAP_HIGH 0.134 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.31) diethylpropion muscle_cancer GAP_HIGH 0.134 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in muscle_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) pomalidomide crohns_disease GAP_HIGH 0.134 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) melatonin lung_cancer GAP_HIGH 0.134 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in lung_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) melatonin rectum_cancer GAP_HIGH 0.134 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in rectum_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) phenylephrine crohns_disease GAP_HIGH 0.134 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.22) amlodipine vulva_cancer GAP_HIGH 0.134 0.15384615384615385 ifenprodil High-priority: Binding assay amlodipine→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) tolazamide thymus_cancer GAP_LOW 0.134 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs thymus_cancer targets. Cross-check tolazamide pharmacophore against thymus_cancer pathway. isradipine crohns_disease GAP_LOW 0.134 0.125 flunarizine Low-priority: Computational docking isradipine vs crohns_disease targets. Cross-check isradipine pharmacophore against crohns_disease pathway. glisoxepide vaginal_cancer GAP_LOW 0.134 0.11538461538461539 sulfapyridine Low-priority: Computational docking glisoxepide vs vaginal_cancer targets. Cross-check glisoxepide pharmacophore against vaginal_cancer pathway. carprofen gilles_de_la_tourette_syndrome GAP_LOW 0.134 0.09090909090909091 alvimopan Low-priority: Computational docking carprofen vs gilles_de_la_tourette_syndrome targets. Cross-check carprofen pharmacophore against gilles_de_la_tourette_syndrome pathway. carvedilol hepatitis_b GAP_LOW 0.134 0.07692307692307693 glucosamine Low-priority: Computational docking carvedilol vs hepatitis_b targets. Cross-check carvedilol pharmacophore against hepatitis_b pathway. glisoxepide gilles_de_la_tourette_syndrome GAP_LOW 0.134 0.07692307692307693 alvimopan Low-priority: Computational docking glisoxepide vs gilles_de_la_tourette_syndrome targets. Cross-check glisoxepide pharmacophore against gilles_de_la_tourette_syndrome pathway. irbesartan acquired_immunodeficiency_syndrome GAP_LOW 0.134 0.016666666666666666 adenosine_monophosphate Low-priority: Computational docking irbesartan vs acquired_immunodeficiency_syndrome targets. Cross-check irbesartan pharmacophore against acquired_immunodeficiency_syndrome pathway. thiothixene focal_segmental_glomerulosclerosis GAP_HIGH 0.1339 0.45454545454545453 pipotiazine High-priority: Binding assay thiothixene→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to pipotiazine (Jaccard=0.45) naftifine muscle_cancer GAP_HIGH 0.1339 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in muscle_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) clonidine creutzfeldt-jakob_disease GAP_HIGH 0.1339 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salsalate (Jaccard=0.35) methylprednisolone pancreatitis GAP_HIGH 0.1339 0.3157894736842105 fludrocortisone High-priority: Binding assay methylprednisolone→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.32) ketorolac azoospermia GAP_HIGH 0.1339 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in azoospermia cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) mepyramine vaginal_cancer GAP_HIGH 0.1339 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in vaginal_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) mepyramine vulva_cancer GAP_HIGH 0.1339 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in vulva_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) salbutamol ankylosing_spondylitis GAP_HIGH 0.1339 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in ankylosing_spondylitis cell model. Expected: similar to methyldopa (Jaccard=0.25) ziprasidone pancreatitis GAP_HIGH 0.1339 0.25 temazepam High-priority: Binding assay ziprasidone→?; validate in pancreatitis cell model. Expected: similar to temazepam (Jaccard=0.25) bepotastine meningioma GAP_HIGH 0.1339 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.24) alfacalcidol sclerosing_cholangitis GAP_HIGH 0.1339 0.2 ursodeoxycholic_acid High-priority: Binding assay alfacalcidol→?; validate in sclerosing_cholangitis cell model. Expected: similar to ursodeoxycholic_acid (Jaccard=0.20) entecavir larynx_cancer GAP_HIGH 0.1339 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) tioguanine narcolepsy GAP_HIGH 0.1339 0.16666666666666666 propericiazine High-priority: Binding assay tioguanine→?; validate in narcolepsy cell model. Expected: similar to propericiazine (Jaccard=0.17) tioguanine acquired_immunodeficiency_syndrome GAP_LOW 0.1339 0.125 emtricitabine Low-priority: Computational docking tioguanine vs acquired_immunodeficiency_syndrome targets. Cross-check tioguanine pharmacophore against acquired_immunodeficiency_syndrome pathway. glipizide hematologic_cancer GAP_LOW 0.1339 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs hematologic_cancer targets. Cross-check glipizide pharmacophore against hematologic_cancer pathway. glipizide narcolepsy GAP_LOW 0.1339 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs narcolepsy targets. Cross-check glipizide pharmacophore against narcolepsy pathway. olmesartan hypertension GAP_LOW 0.1339 0.1111111111111111 solifenacin Low-priority: Computational docking olmesartan vs hypertension targets. Cross-check olmesartan pharmacophore against hypertension pathway. calcium_acetate uterine_fibroid GAP_LOW 0.1339 0.09090909090909091 dextrothyroxine Low-priority: Computational docking calcium_acetate vs uterine_fibroid targets. Cross-check calcium_acetate pharmacophore against uterine_fibroid pathway. valsartan azoospermia GAP_LOW 0.1339 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs azoospermia targets. Cross-check valsartan pharmacophore against azoospermia pathway. dinoprostone focal_segmental_glomerulosclerosis GAP_LOW 0.1339 0.08333333333333333 floctafenine Low-priority: Computational docking dinoprostone vs focal_segmental_glomerulosclerosis targets. Cross-check dinoprostone pharmacophore against focal_segmental_glomerulosclerosis pathway. glimepiride penile_cancer GAP_LOW 0.1339 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs penile_cancer targets. Cross-check glimepiride pharmacophore against penile_cancer pathway. pazopanib pagets_disease_of_bone GAP_LOW 0.1339 0.07692307692307693 histamine_phosphate Low-priority: Computational docking pazopanib vs pagets_disease_of_bone targets. Cross-check pazopanib pharmacophore against pagets_disease_of_bone pathway. epoprostenol focal_segmental_glomerulosclerosis GAP_LOW 0.1339 0.07142857142857142 floctafenine Low-priority: Computational docking epoprostenol vs focal_segmental_glomerulosclerosis targets. Cross-check epoprostenol pharmacophore against focal_segmental_glomerulosclerosis pathway. calcium_acetate refractive_error GAP_LOW 0.1339 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs refractive_error targets. Cross-check calcium_acetate pharmacophore against refractive_error pathway. glisoxepide larynx_cancer GAP_LOW 0.1339 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs larynx_cancer targets. Cross-check glisoxepide pharmacophore against larynx_cancer pathway. heptabarbital type_1_diabetes_mellitus GAP_LOW 0.1339 0.05 exemestane Low-priority: Computational docking heptabarbital vs type_1_diabetes_mellitus targets. Cross-check heptabarbital pharmacophore against type_1_diabetes_mellitus pathway. amphetamine leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking amphetamine vs leprosy targets. Cross-check amphetamine pharmacophore against leprosy pathway. dronedarone intracranial_aneurysm GAP_LOW 0.1339 0.0 hydrocortisone Low-priority: Computational docking dronedarone vs intracranial_aneurysm targets. Cross-check dronedarone pharmacophore against intracranial_aneurysm pathway. irbesartan dilated_cardiomyopathy GAP_LOW 0.1339 0.0 hydrocortisone Low-priority: Computational docking irbesartan vs dilated_cardiomyopathy targets. Cross-check irbesartan pharmacophore against dilated_cardiomyopathy pathway. l-asparagine leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking l-asparagine vs leprosy targets. Cross-check l-asparagine pharmacophore against leprosy pathway. l-aspartic_acid leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking l-aspartic_acid vs leprosy targets. Cross-check l-aspartic_acid pharmacophore against leprosy pathway. l-carnitine leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking l-carnitine vs leprosy targets. Cross-check l-carnitine pharmacophore against leprosy pathway. l-cysteine leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking l-cysteine vs leprosy targets. Cross-check l-cysteine pharmacophore against leprosy pathway. l-ornithine leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking l-ornithine vs leprosy targets. Cross-check l-ornithine pharmacophore against leprosy pathway. linaclotide leprosy GAP_LOW 0.1339 0.0 sulfapyridine Low-priority: Computational docking linaclotide vs leprosy targets. Cross-check linaclotide pharmacophore against leprosy pathway. orlistat brain_cancer GAP_LOW 0.1339 0.0 hydrocortisone Low-priority: Computational docking orlistat vs brain_cancer targets. Cross-check orlistat pharmacophore against brain_cancer pathway. orlistat intracranial_aneurysm GAP_LOW 0.1339 0.0 hydrocortisone Low-priority: Computational docking orlistat vs intracranial_aneurysm targets. Cross-check orlistat pharmacophore against intracranial_aneurysm pathway. valsartan dilated_cardiomyopathy GAP_LOW 0.1339 0.0 hydrocortisone Low-priority: Computational docking valsartan vs dilated_cardiomyopathy targets. Cross-check valsartan pharmacophore against dilated_cardiomyopathy pathway. diphenhydramine salivary_gland_cancer GAP_HIGH 0.1338 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.52) phensuximide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1338 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clomipramine (Jaccard=0.39) methotrexate migraine GAP_HIGH 0.1338 0.375 trimethoprim High-priority: Binding assay methotrexate→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.38) lacosamide celiac_disease GAP_HIGH 0.1338 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.33) methamphetamine pancreatitis GAP_HIGH 0.1338 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in pancreatitis cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) drostanolone obesity GAP_HIGH 0.1338 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in obesity cell model. Expected: similar to levorphanol (Jaccard=0.32) diethylpropion systemic_lupus_erythematosus GAP_HIGH 0.1338 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) fulvestrant intracranial_aneurysm GAP_HIGH 0.1338 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in intracranial_aneurysm cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) lidocaine germ_cell_cancer GAP_HIGH 0.1338 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in germ_cell_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) thalidomide panic_disorder GAP_HIGH 0.1338 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in panic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide schizophrenia GAP_HIGH 0.1338 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in schizophrenia cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) ethylmorphine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1338 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.25) levomilnacipran muscle_cancer GAP_HIGH 0.1338 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) melatonin liver_cancer GAP_HIGH 0.1338 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in liver_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) dienestrol malignant_mesothelioma GAP_HIGH 0.1338 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.20) tolazoline membranous_glomerulonephritis GAP_HIGH 0.1338 0.2 mitiglinide High-priority: Binding assay tolazoline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.20) pentostatin osteoarthritis GAP_HIGH 0.1338 0.16666666666666666 ribavirin High-priority: Binding assay pentostatin→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.17) phenmetrazine acquired_immunodeficiency_syndrome GAP_HIGH 0.1338 0.16666666666666666 mitiglinide High-priority: Binding assay phenmetrazine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.17) nimodipine stomach_cancer GAP_HIGH 0.1338 0.15384615384615385 proparacaine High-priority: Binding assay nimodipine→?; validate in stomach_cancer cell model. Expected: similar to proparacaine (Jaccard=0.15) zolpidem hepatitis_b GAP_LOW 0.1338 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs hepatitis_b targets. Cross-check zolpidem pharmacophore against hepatitis_b pathway. clofibrate germ_cell_cancer GAP_LOW 0.1338 0.125 alclometasone Low-priority: Computational docking clofibrate vs germ_cell_cancer targets. Cross-check clofibrate pharmacophore against germ_cell_cancer pathway. ziprasidone bone_cancer GAP_LOW 0.1338 0.125 alendronate Low-priority: Computational docking ziprasidone vs bone_cancer targets. Cross-check ziprasidone pharmacophore against bone_cancer pathway. benzthiazide alzheimers_disease GAP_LOW 0.1338 0.11764705882352941 masoprocol Low-priority: Computational docking benzthiazide vs alzheimers_disease targets. Cross-check benzthiazide pharmacophore against alzheimers_disease pathway. zolmitriptan polycystic_ovary_syndrome GAP_LOW 0.1338 0.11764705882352941 trifluoperazine Low-priority: Computational docking zolmitriptan vs polycystic_ovary_syndrome targets. Cross-check zolmitriptan pharmacophore against polycystic_ovary_syndrome pathway. tafluprost celiac_disease GAP_LOW 0.1338 0.1111111111111111 suprofen Low-priority: Computational docking tafluprost vs celiac_disease targets. Cross-check tafluprost pharmacophore against celiac_disease pathway. glipizide chronic_kidney_failure GAP_LOW 0.1338 0.09090909090909091 indapamide Low-priority: Computational docking glipizide vs chronic_kidney_failure targets. Cross-check glipizide pharmacophore against chronic_kidney_failure pathway. aprobarbital pharynx_cancer GAP_LOW 0.1338 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs pharynx_cancer targets. Cross-check aprobarbital pharmacophore against pharynx_cancer pathway. butethal pharynx_cancer GAP_LOW 0.1338 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs pharynx_cancer targets. Cross-check butethal pharmacophore against pharynx_cancer pathway. pasireotide malaria GAP_LOW 0.1338 0.08333333333333333 sulfamethizole Low-priority: Computational docking pasireotide vs malaria targets. Cross-check pasireotide pharmacophore against malaria pathway. dinoprost_tromethamine azoospermia GAP_LOW 0.1338 0.07142857142857142 tiaprofenic_acid Low-priority: Computational docking dinoprost_tromethamine vs azoospermia targets. Cross-check dinoprost_tromethamine pharmacophore against azoospermia pathway. riboflavin coronary_artery_disease GAP_LOW 0.1338 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs coronary_artery_disease targets. Cross-check riboflavin pharmacophore against coronary_artery_disease pathway. tofisopam acquired_immunodeficiency_syndrome GAP_LOW 0.1338 0.05555555555555555 lisinopril Low-priority: Computational docking tofisopam vs acquired_immunodeficiency_syndrome targets. Cross-check tofisopam pharmacophore against acquired_immunodeficiency_syndrome pathway. dextropropoxyphene atherosclerosis GAP_LOW 0.1338 0.041666666666666664 bezafibrate Low-priority: Computational docking dextropropoxyphene vs atherosclerosis targets. Cross-check dextropropoxyphene pharmacophore against atherosclerosis pathway. nitisinone acquired_immunodeficiency_syndrome GAP_LOW 0.1338 0.016666666666666666 adenosine_monophosphate Low-priority: Computational docking nitisinone vs acquired_immunodeficiency_syndrome targets. Cross-check nitisinone pharmacophore against acquired_immunodeficiency_syndrome pathway. alfacalcidol pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking alfacalcidol vs pagets_disease_of_bone targets. Cross-check alfacalcidol pharmacophore against pagets_disease_of_bone pathway. calcidiol pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking calcidiol vs pagets_disease_of_bone targets. Cross-check calcidiol pharmacophore against pagets_disease_of_bone pathway. calcipotriol pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking calcipotriol vs pagets_disease_of_bone targets. Cross-check calcipotriol pharmacophore against pagets_disease_of_bone pathway. ceruletide pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking ceruletide vs pagets_disease_of_bone targets. Cross-check ceruletide pharmacophore against pagets_disease_of_bone pathway. chlorphenesin pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking chlorphenesin vs pagets_disease_of_bone targets. Cross-check chlorphenesin pharmacophore against pagets_disease_of_bone pathway. dihydrotachysterol pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking dihydrotachysterol vs pagets_disease_of_bone targets. Cross-check dihydrotachysterol pharmacophore against pagets_disease_of_bone pathway. doxapram pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking doxapram vs pagets_disease_of_bone targets. Cross-check doxapram pharmacophore against pagets_disease_of_bone pathway. ethotoin pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking ethotoin vs pagets_disease_of_bone targets. Cross-check ethotoin pharmacophore against pagets_disease_of_bone pathway. goserelin hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking goserelin vs hypothyroidism targets. Cross-check goserelin pharmacophore against hypothyroidism pathway. lapatinib hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking lapatinib vs hypothyroidism targets. Cross-check lapatinib pharmacophore against hypothyroidism pathway. methadyl_acetate hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking methadyl_acetate vs hypothyroidism targets. Cross-check methadyl_acetate pharmacophore against hypothyroidism pathway. olanzapine pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking olanzapine vs pagets_disease_of_bone targets. Cross-check olanzapine pharmacophore against pagets_disease_of_bone pathway. oxcarbazepine hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking oxcarbazepine vs hypothyroidism targets. Cross-check oxcarbazepine pharmacophore against hypothyroidism pathway. phenindione hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking phenindione vs hypothyroidism targets. Cross-check phenindione pharmacophore against hypothyroidism pathway. phenoxybenzamine hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking phenoxybenzamine vs hypothyroidism targets. Cross-check phenoxybenzamine pharmacophore against hypothyroidism pathway. sulfadiazine hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking sulfadiazine vs hypothyroidism targets. Cross-check sulfadiazine pharmacophore against hypothyroidism pathway. sulfaphenazole hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking sulfaphenazole vs hypothyroidism targets. Cross-check sulfaphenazole pharmacophore against hypothyroidism pathway. trandolapril hypothyroidism GAP_LOW 0.1338 0.0 methimazole Low-priority: Computational docking trandolapril vs hypothyroidism targets. Cross-check trandolapril pharmacophore against hypothyroidism pathway. ziprasidone pagets_disease_of_bone GAP_LOW 0.1338 0.0 ibandronate Low-priority: Computational docking ziprasidone vs pagets_disease_of_bone targets. Cross-check ziprasidone pharmacophore against pagets_disease_of_bone pathway. thioproperazine melanoma GAP_HIGH 0.1337 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.50) betamethasone amyotrophic_lateral_sclerosis GAP_HIGH 0.1337 0.47619047619047616 fludrocortisone High-priority: Binding assay betamethasone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.48) trifluoperazine prostate_cancer GAP_HIGH 0.1337 0.46153846153846156 pirenzepine High-priority: Binding assay trifluoperazine→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.46) bromfenac azoospermia GAP_HIGH 0.1337 0.4090909090909091 naproxen High-priority: Binding assay bromfenac→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.41) testosterone_propionate type_1_diabetes_mellitus GAP_HIGH 0.1337 0.36 fludrocortisone High-priority: Binding assay testosterone_propionate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.36) phentermine ovarian_cancer GAP_HIGH 0.1337 0.35714285714285715 phenylpropanolamine High-priority: Binding assay phentermine→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.36) naproxen malignant_mesothelioma GAP_HIGH 0.1337 0.35 melphalan High-priority: Binding assay naproxen→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.35) diethylpropion metabolic_syndrome_x GAP_HIGH 0.1337 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in metabolic_syndrome_x cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) diethylpropion liver_cancer GAP_HIGH 0.1337 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) probenecid idiopathic_pulmonary_fibrosis GAP_HIGH 0.1337 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) thalidomide breast_cancer GAP_HIGH 0.1337 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide colon_cancer GAP_HIGH 0.1337 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) butenafine glaucoma GAP_HIGH 0.1337 0.25 propranolol High-priority: Binding assay butenafine→?; validate in glaucoma cell model. Expected: similar to propranolol (Jaccard=0.25) etonogestrel pharynx_cancer GAP_HIGH 0.1337 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) ethynodiol type_1_diabetes_mellitus GAP_HIGH 0.1337 0.23529411764705882 betamethasone High-priority: Binding assay ethynodiol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.24) etonogestrel type_1_diabetes_mellitus GAP_HIGH 0.1337 0.21428571428571427 betamethasone High-priority: Binding assay etonogestrel→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.21) nisoldipine stomach_cancer GAP_HIGH 0.1337 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in stomach_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) nisoldipine gout GAP_LOW 0.1337 0.14285714285714285 desoximetasone Low-priority: Computational docking nisoldipine vs gout targets. Cross-check nisoldipine pharmacophore against gout pathway. pravastatin alzheimers_disease GAP_LOW 0.1337 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs alzheimers_disease targets. Cross-check pravastatin pharmacophore against alzheimers_disease pathway. pravastatin parkinsons_disease GAP_LOW 0.1337 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs parkinsons_disease targets. Cross-check pravastatin pharmacophore against parkinsons_disease pathway. zolmitriptan sarcoma GAP_LOW 0.1337 0.1111111111111111 promazine Low-priority: Computational docking zolmitriptan vs sarcoma targets. Cross-check zolmitriptan pharmacophore against sarcoma pathway. zolmitriptan muscle_cancer GAP_LOW 0.1337 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs muscle_cancer targets. Cross-check zolmitriptan pharmacophore against muscle_cancer pathway. amlodipine focal_segmental_glomerulosclerosis GAP_LOW 0.1337 0.1 naftifine Low-priority: Computational docking amlodipine vs focal_segmental_glomerulosclerosis targets. Cross-check amlodipine pharmacophore against focal_segmental_glomerulosclerosis pathway. sulpiride glaucoma GAP_LOW 0.1337 0.1 sotalol Low-priority: Computational docking sulpiride vs glaucoma targets. Cross-check sulpiride pharmacophore against glaucoma pathway. ibuprofen celiac_disease GAP_LOW 0.1337 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking ibuprofen vs celiac_disease targets. Cross-check ibuprofen pharmacophore against celiac_disease pathway. pentobarbital salivary_gland_cancer GAP_LOW 0.1337 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs salivary_gland_cancer targets. Cross-check pentobarbital pharmacophore against salivary_gland_cancer pathway. riboflavin obesity GAP_LOW 0.1337 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs obesity targets. Cross-check riboflavin pharmacophore against obesity pathway. glisoxepide chronic_kidney_failure GAP_LOW 0.1337 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs chronic_kidney_failure targets. Cross-check glisoxepide pharmacophore against chronic_kidney_failure pathway. talbutal alzheimers_disease GAP_LOW 0.1337 0.08 phenytoin Low-priority: Computational docking talbutal vs alzheimers_disease targets. Cross-check talbutal pharmacophore against alzheimers_disease pathway. talbutal parkinsons_disease GAP_LOW 0.1337 0.08 phenytoin Low-priority: Computational docking talbutal vs parkinsons_disease targets. Cross-check talbutal pharmacophore against parkinsons_disease pathway. epinephrine dilated_cardiomyopathy GAP_LOW 0.1337 0.07692307692307693 trandolapril Low-priority: Computational docking epinephrine vs dilated_cardiomyopathy targets. Cross-check epinephrine pharmacophore against dilated_cardiomyopathy pathway. pentobarbital malignant_glioma GAP_LOW 0.1337 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking pentobarbital vs malignant_glioma targets. Cross-check pentobarbital pharmacophore against malignant_glioma pathway. aprobarbital malignant_glioma GAP_LOW 0.1337 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking aprobarbital vs malignant_glioma targets. Cross-check aprobarbital pharmacophore against malignant_glioma pathway. butethal malignant_glioma GAP_LOW 0.1337 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking butethal vs malignant_glioma targets. Cross-check butethal pharmacophore against malignant_glioma pathway. spirapril atherosclerosis GAP_LOW 0.1337 0.045454545454545456 pseudoephedrine Low-priority: Computational docking spirapril vs atherosclerosis targets. Cross-check spirapril pharmacophore against atherosclerosis pathway. tetracycline hepatitis_b GAP_LOW 0.1337 0.037037037037037035 ribavirin Low-priority: Computational docking tetracycline vs hepatitis_b targets. Cross-check tetracycline pharmacophore against hepatitis_b pathway. l-cystine metabolic_syndrome_x GAP_LOW 0.1337 0.03225806451612903 betamethasone Low-priority: Computational docking l-cystine vs metabolic_syndrome_x targets. Cross-check l-cystine pharmacophore against metabolic_syndrome_x pathway. methadone esophageal_cancer GAP_HIGH 0.1336 0.5 toremifene High-priority: Binding assay methadone→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) chloroprocaine crohns_disease GAP_HIGH 0.1336 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.31) bromodiphenhydramine celiac_disease GAP_HIGH 0.1336 0.3 benzatropine High-priority: Binding assay bromodiphenhydramine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.30) diethylpropion skin_cancer GAP_HIGH 0.1336 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in skin_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) tripelennamine germ_cell_cancer GAP_HIGH 0.1336 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) floxuridine colon_cancer GAP_HIGH 0.1336 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in colon_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) flurazepam testicular_cancer GAP_HIGH 0.1336 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in testicular_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) flurazepam vaginal_cancer GAP_HIGH 0.1336 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in vaginal_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) ponatinib ulcerative_colitis GAP_HIGH 0.1336 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in ulcerative_colitis cell model. Expected: similar to sunitinib (Jaccard=0.25) clofarabine type_2_diabetes_mellitus GAP_HIGH 0.1336 0.23529411764705882 gemcitabine High-priority: Binding assay clofarabine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.24) conjugated_estrogens malignant_mesothelioma GAP_HIGH 0.1336 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.22) benzocaine mediastinal_cancer GAP_HIGH 0.1336 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in mediastinal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) prednicarbate alcohol_dependence GAP_HIGH 0.1336 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.20) nisoldipine ulcerative_colitis GAP_HIGH 0.1336 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) travoprost hypertension GAP_LOW 0.1336 0.125 treprostinil Low-priority: Computational docking travoprost vs hypertension targets. Cross-check travoprost pharmacophore against hypertension pathway. pimozide leprosy GAP_LOW 0.1336 0.1111111111111111 phenmetrazine Low-priority: Computational docking pimozide vs leprosy targets. Cross-check pimozide pharmacophore against leprosy pathway. pravastatin amyotrophic_lateral_sclerosis GAP_LOW 0.1336 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs amyotrophic_lateral_sclerosis targets. Cross-check pravastatin pharmacophore against amyotrophic_lateral_sclerosis pathway. pravastatin autistic_disorder GAP_LOW 0.1336 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs autistic_disorder targets. Cross-check pravastatin pharmacophore against autistic_disorder pathway. pravastatin nicotine_dependence GAP_LOW 0.1336 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs nicotine_dependence targets. Cross-check pravastatin pharmacophore against nicotine_dependence pathway. ibuprofen chronic_kidney_failure GAP_LOW 0.1336 0.09090909090909091 ergocalciferol Low-priority: Computational docking ibuprofen vs chronic_kidney_failure targets. Cross-check ibuprofen pharmacophore against chronic_kidney_failure pathway. talbutal amyotrophic_lateral_sclerosis GAP_LOW 0.1336 0.08 phenytoin Low-priority: Computational docking talbutal vs amyotrophic_lateral_sclerosis targets. Cross-check talbutal pharmacophore against amyotrophic_lateral_sclerosis pathway. talbutal autistic_disorder GAP_LOW 0.1336 0.08 phenytoin Low-priority: Computational docking talbutal vs autistic_disorder targets. Cross-check talbutal pharmacophore against autistic_disorder pathway. talbutal nicotine_dependence GAP_LOW 0.1336 0.08 phenytoin Low-priority: Computational docking talbutal vs nicotine_dependence targets. Cross-check talbutal pharmacophore against nicotine_dependence pathway. butabarbital penile_cancer GAP_LOW 0.1336 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs penile_cancer targets. Cross-check butabarbital pharmacophore against penile_cancer pathway. calcium_acetate chronic_kidney_failure GAP_LOW 0.1336 0.06666666666666667 floctafenine Low-priority: Computational docking calcium_acetate vs chronic_kidney_failure targets. Cross-check calcium_acetate pharmacophore against chronic_kidney_failure pathway. irbesartan glaucoma GAP_LOW 0.1336 0.0625 masoprocol Low-priority: Computational docking irbesartan vs glaucoma targets. Cross-check irbesartan pharmacophore against glaucoma pathway. glimepiride esophageal_cancer GAP_LOW 0.1336 0.058823529411764705 melphalan Low-priority: Computational docking glimepiride vs esophageal_cancer targets. Cross-check glimepiride pharmacophore against esophageal_cancer pathway. butabarbital refractive_error GAP_LOW 0.1336 0.05555555555555555 chlorphenesin Low-priority: Computational docking butabarbital vs refractive_error targets. Cross-check butabarbital pharmacophore against refractive_error pathway. l-carnitine alcohol_dependence GAP_LOW 0.1336 0.041666666666666664 ethylmorphine Low-priority: Computational docking l-carnitine vs alcohol_dependence targets. Cross-check l-carnitine pharmacophore against alcohol_dependence pathway. aminocaproic_acid gestational_diabetes GAP_LOW 0.1336 0.038461538461538464 glimepiride Low-priority: Computational docking aminocaproic_acid vs gestational_diabetes targets. Cross-check aminocaproic_acid pharmacophore against gestational_diabetes pathway. propofol hepatitis_b GAP_LOW 0.1336 0.0 mitiglinide Low-priority: Computational docking propofol vs hepatitis_b targets. Cross-check propofol pharmacophore against hepatitis_b pathway. diphenhydramine ocular_cancer GAP_HIGH 0.1335 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.52) promazine malignant_mesothelioma GAP_HIGH 0.1335 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in malignant_mesothelioma cell model. Expected: similar to clofedanol (Jaccard=0.48) naftifine meningioma GAP_HIGH 0.1335 0.41379310344827586 methadone High-priority: Binding assay naftifine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.41) flurbiprofen gilles_de_la_tourette_syndrome GAP_HIGH 0.1335 0.38235294117647056 loxapine High-priority: Binding assay flurbiprofen→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.38) clomipramine alcohol_dependence GAP_HIGH 0.1335 0.3488372093023256 mazindol High-priority: Binding assay clomipramine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.35) aprindine duodenum_cancer GAP_HIGH 0.1335 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) aprindine gallbladder_cancer GAP_HIGH 0.1335 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) crizotinib metabolic_syndrome_x GAP_HIGH 0.1335 0.3333333333333333 captopril High-priority: Binding assay crizotinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to captopril (Jaccard=0.33) methamphetamine ocular_cancer GAP_HIGH 0.1335 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) probenecid primary_biliary_cirrhosis GAP_HIGH 0.1335 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) ponatinib ovarian_cancer GAP_HIGH 0.1335 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in ovarian_cancer cell model. Expected: similar to sunitinib (Jaccard=0.25) salbutamol pancreatitis GAP_HIGH 0.1335 0.25 methyldopa High-priority: Binding assay salbutamol→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.25) droperidol prostate_cancer GAP_HIGH 0.1335 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in prostate_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) nandrolone_phenpropionate hypertension GAP_HIGH 0.1335 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in hypertension cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) benzocaine thymus_cancer GAP_HIGH 0.1335 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in thymus_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) l-tryptophan atherosclerosis GAP_HIGH 0.1335 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in atherosclerosis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) dienestrol type_1_diabetes_mellitus GAP_HIGH 0.1335 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to mesalazine (Jaccard=0.18) nisoldipine osteoporosis GAP_HIGH 0.1335 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in osteoporosis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) diethylpropion leprosy GAP_LOW 0.1335 0.125 phenmetrazine Low-priority: Computational docking diethylpropion vs leprosy targets. Cross-check diethylpropion pharmacophore against leprosy pathway. l-carnitine focal_segmental_glomerulosclerosis GAP_LOW 0.1335 0.10714285714285714 bevantolol Low-priority: Computational docking l-carnitine vs focal_segmental_glomerulosclerosis targets. Cross-check l-carnitine pharmacophore against focal_segmental_glomerulosclerosis pathway. pyrimethamine germ_cell_cancer GAP_LOW 0.1335 0.1 dexamethasone Low-priority: Computational docking pyrimethamine vs germ_cell_cancer targets. Cross-check pyrimethamine pharmacophore against germ_cell_cancer pathway. valsartan hematologic_cancer GAP_LOW 0.1335 0.1 aspartame Low-priority: Computational docking valsartan vs hematologic_cancer targets. Cross-check valsartan pharmacophore against hematologic_cancer pathway. valsartan narcolepsy GAP_LOW 0.1335 0.1 aspartame Low-priority: Computational docking valsartan vs narcolepsy targets. Cross-check valsartan pharmacophore against narcolepsy pathway. zolmitriptan lymphatic_system_cancer GAP_LOW 0.1335 0.037037037037037035 riboflavin Low-priority: Computational docking zolmitriptan vs lymphatic_system_cancer targets. Cross-check zolmitriptan pharmacophore against lymphatic_system_cancer pathway. methadone celiac_disease GAP_HIGH 0.1334 0.5161290322580645 diphenhydramine High-priority: Binding assay methadone→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.52) promazine celiac_disease GAP_HIGH 0.1334 0.4666666666666667 diphenhydramine High-priority: Binding assay promazine→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.47) trifluoperazine gout GAP_HIGH 0.1334 0.46153846153846156 pirenzepine High-priority: Binding assay trifluoperazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.46) naftifine peripheral_nervous_system_neoplasm GAP_HIGH 0.1334 0.43478260869565216 toremifene High-priority: Binding assay naftifine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to toremifene (Jaccard=0.43) methotrexate metabolic_syndrome_x GAP_HIGH 0.1334 0.375 trimethoprim High-priority: Binding assay methotrexate→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.38) olsalazine kidney_cancer GAP_HIGH 0.1334 0.375 sulfaphenazole High-priority: Binding assay olsalazine→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.38) mefenamic_acid crohns_disease GAP_HIGH 0.1334 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in crohns_disease cell model. Expected: similar to bromfenac (Jaccard=0.37) methylprednisolone amyotrophic_lateral_sclerosis GAP_HIGH 0.1334 0.3157894736842105 fludrocortisone High-priority: Binding assay methylprednisolone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.32) oxcarbazepine gilles_de_la_tourette_syndrome GAP_HIGH 0.1334 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to phenylbutazone (Jaccard=0.31) epirubicin liver_cancer GAP_HIGH 0.1334 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in liver_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) antazoline penile_cancer GAP_HIGH 0.1334 0.28 diphenylpyraline High-priority: Binding assay antazoline→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) mepyramine uterine_fibroid GAP_HIGH 0.1334 0.2727272727272727 promethazine High-priority: Binding assay mepyramine→?; validate in uterine_fibroid cell model. Expected: similar to promethazine (Jaccard=0.27) thalidomide migraine GAP_HIGH 0.1334 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in migraine cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide multiple_sclerosis GAP_HIGH 0.1334 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in multiple_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) thalidomide rectum_cancer GAP_HIGH 0.1334 0.26666666666666666 doxorubicin High-priority: Binding assay thalidomide→?; validate in rectum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.27) flurazepam vascular_cancer GAP_HIGH 0.1334 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in vascular_cancer cell model. Expected: similar to cinchocaine (Jaccard=0.26) levomilnacipran urinary_bladder_cancer GAP_HIGH 0.1334 0.25 reboxetine High-priority: Binding assay levomilnacipran→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) cinchocaine creutzfeldt-jakob_disease GAP_HIGH 0.1334 0.23809523809523808 tranylcypromine High-priority: Binding assay cinchocaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.24) phenylephrine primary_biliary_cirrhosis GAP_HIGH 0.1334 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.22) ribavirin type_2_diabetes_mellitus GAP_HIGH 0.1334 0.2222222222222222 gemcitabine High-priority: Binding assay ribavirin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.22) ponatinib gilles_de_la_tourette_syndrome GAP_HIGH 0.1334 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to meclizine (Jaccard=0.20) diphenidol alcohol_dependence GAP_HIGH 0.1334 0.16666666666666666 ethylmorphine High-priority: Binding assay diphenidol→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.17) l-arginine panic_disorder GAP_HIGH 0.1334 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in panic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.15) l-arginine schizophrenia GAP_HIGH 0.1334 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in schizophrenia cell model. Expected: similar to lisinopril (Jaccard=0.15) carvedilol psoriasis GAP_LOW 0.1334 0.14285714285714285 indomethacin Low-priority: Computational docking carvedilol vs psoriasis targets. Cross-check carvedilol pharmacophore against psoriasis pathway. dinoprostone duodenum_cancer GAP_LOW 0.1334 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs duodenum_cancer targets. Cross-check dinoprostone pharmacophore against duodenum_cancer pathway. dinoprostone gallbladder_cancer GAP_LOW 0.1334 0.1111111111111111 methotrexate Low-priority: Computational docking dinoprostone vs gallbladder_cancer targets. Cross-check dinoprostone pharmacophore against gallbladder_cancer pathway. l-ornithine chronic_obstructive_pulmonary_disease GAP_LOW 0.1334 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs chronic_obstructive_pulmonary_disease targets. Cross-check l-ornithine pharmacophore against chronic_obstructive_pulmonary_disease pathway. pravastatin attention_deficit_hyperactivity_disorder GAP_LOW 0.1334 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs attention_deficit_hyperactivity_disorder targets. Cross-check pravastatin pharmacophore against attention_deficit_hyperactivity_disorder pathway. nilotinib bone_cancer GAP_LOW 0.1334 0.1 histamine_phosphate Low-priority: Computational docking nilotinib vs bone_cancer targets. Cross-check nilotinib pharmacophore against bone_cancer pathway. glimepiride alzheimers_disease GAP_LOW 0.1334 0.09090909090909091 desipramine Low-priority: Computational docking glimepiride vs alzheimers_disease targets. Cross-check glimepiride pharmacophore against alzheimers_disease pathway. pentobarbital ocular_cancer GAP_LOW 0.1334 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs ocular_cancer targets. Cross-check pentobarbital pharmacophore against ocular_cancer pathway. calcium_acetate gout GAP_LOW 0.1334 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs gout targets. Cross-check calcium_acetate pharmacophore against gout pathway. tetracycline kidney_cancer GAP_LOW 0.1334 0.058823529411764705 tolbutamide Low-priority: Computational docking tetracycline vs kidney_cancer targets. Cross-check tetracycline pharmacophore against kidney_cancer pathway. losartan atherosclerosis GAP_LOW 0.1334 0.041666666666666664 pseudoephedrine Low-priority: Computational docking losartan vs atherosclerosis targets. Cross-check losartan pharmacophore against atherosclerosis pathway. nabumetone leprosy GAP_LOW 0.1334 0.02127659574468085 phensuximide Low-priority: Computational docking nabumetone vs leprosy targets. Cross-check nabumetone pharmacophore against leprosy pathway. aminophenazone acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking aminophenazone vs acquired_immunodeficiency_syndrome targets. Cross-check aminophenazone pharmacophore against acquired_immunodeficiency_syndrome pathway. aprobarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking aprobarbital vs acquired_immunodeficiency_syndrome targets. Cross-check aprobarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. butabarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking butabarbital vs acquired_immunodeficiency_syndrome targets. Cross-check butabarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. butethal acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking butethal vs acquired_immunodeficiency_syndrome targets. Cross-check butethal pharmacophore against acquired_immunodeficiency_syndrome pathway. equilin acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking equilin vs acquired_immunodeficiency_syndrome targets. Cross-check equilin pharmacophore against acquired_immunodeficiency_syndrome pathway. heptabarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking heptabarbital vs acquired_immunodeficiency_syndrome targets. Cross-check heptabarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. phenobarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking phenobarbital vs acquired_immunodeficiency_syndrome targets. Cross-check phenobarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. primidone acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking primidone vs acquired_immunodeficiency_syndrome targets. Cross-check primidone pharmacophore against acquired_immunodeficiency_syndrome pathway. quazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking quazepam vs acquired_immunodeficiency_syndrome targets. Cross-check quazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. talbutal acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking talbutal vs acquired_immunodeficiency_syndrome targets. Cross-check talbutal pharmacophore against acquired_immunodeficiency_syndrome pathway. thiamylal acquired_immunodeficiency_syndrome GAP_LOW 0.1334 0.0 mitiglinide Low-priority: Computational docking thiamylal vs acquired_immunodeficiency_syndrome targets. Cross-check thiamylal pharmacophore against acquired_immunodeficiency_syndrome pathway. phensuximide lung_cancer GAP_HIGH 0.1333 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in lung_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide rectum_cancer GAP_HIGH 0.1333 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in rectum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide azoospermia GAP_HIGH 0.1333 0.35555555555555557 chlorpromazine High-priority: Binding assay phensuximide→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.36) clonidine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1333 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salsalate (Jaccard=0.35) diethylpropion obesity GAP_HIGH 0.1333 0.2916666666666667 pseudoephedrine High-priority: Binding assay diethylpropion→?; validate in obesity cell model. Expected: similar to pseudoephedrine (Jaccard=0.29) l-phenylalanine rheumatoid_arthritis GAP_HIGH 0.1333 0.2727272727272727 dextroamphetamine High-priority: Binding assay l-phenylalanine→?; validate in rheumatoid_arthritis cell model. Expected: similar to dextroamphetamine (Jaccard=0.27) nitrazepam membranous_glomerulonephritis GAP_HIGH 0.1333 0.2727272727272727 chlorthalidone High-priority: Binding assay nitrazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.27) floxuridine ovarian_cancer GAP_HIGH 0.1333 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in ovarian_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.27) tamsulosin colon_cancer GAP_HIGH 0.1333 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in colon_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) tamsulosin stomach_cancer GAP_HIGH 0.1333 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in stomach_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) droperidol mediastinal_cancer GAP_HIGH 0.1333 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in mediastinal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) chlorthalidone muscle_cancer GAP_HIGH 0.1333 0.22727272727272727 azelastine High-priority: Binding assay chlorthalidone→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.23) phenylephrine gout GAP_HIGH 0.1333 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.22) benzocaine hematologic_cancer GAP_HIGH 0.1333 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in hematologic_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) ritodrine conduct_disorder GAP_HIGH 0.1333 0.2 mebendazole High-priority: Binding assay ritodrine→?; validate in conduct_disorder cell model. Expected: similar to mebendazole (Jaccard=0.20) codeine narcolepsy GAP_HIGH 0.1333 0.1875 bepridil High-priority: Binding assay codeine→?; validate in narcolepsy cell model. Expected: similar to bepridil (Jaccard=0.19) zolmitriptan urinary_bladder_cancer GAP_LOW 0.1333 0.10526315789473684 diphemanil_methylsulfate Low-priority: Computational docking zolmitriptan vs urinary_bladder_cancer targets. Cross-check zolmitriptan pharmacophore against urinary_bladder_cancer pathway. carvedilol refractive_error GAP_LOW 0.1333 0.1 epinephrine Low-priority: Computational docking carvedilol vs refractive_error targets. Cross-check carvedilol pharmacophore against refractive_error pathway. eprosartan prostate_cancer GAP_LOW 0.1333 0.1 procaine Low-priority: Computational docking eprosartan vs prostate_cancer targets. Cross-check eprosartan pharmacophore against prostate_cancer pathway. glimepiride parkinsons_disease GAP_LOW 0.1333 0.09090909090909091 desipramine Low-priority: Computational docking glimepiride vs parkinsons_disease targets. Cross-check glimepiride pharmacophore against parkinsons_disease pathway. dihydrotachysterol leprosy GAP_LOW 0.1333 0.07142857142857142 sulfamethizole Low-priority: Computational docking dihydrotachysterol vs leprosy targets. Cross-check dihydrotachysterol pharmacophore against leprosy pathway. baclofen brain_cancer GAP_LOW 0.1333 0.0625 estradiol_valeratedienogest Low-priority: Computational docking baclofen vs brain_cancer targets. Cross-check baclofen pharmacophore against brain_cancer pathway. quinacrine dilated_cardiomyopathy GAP_LOW 0.1333 0.05263157894736842 milrinone Low-priority: Computational docking quinacrine vs dilated_cardiomyopathy targets. Cross-check quinacrine pharmacophore against dilated_cardiomyopathy pathway. aprobarbital type_1_diabetes_mellitus GAP_LOW 0.1333 0.047619047619047616 exemestane Low-priority: Computational docking aprobarbital vs type_1_diabetes_mellitus targets. Cross-check aprobarbital pharmacophore against type_1_diabetes_mellitus pathway. butethal type_1_diabetes_mellitus GAP_LOW 0.1333 0.047619047619047616 exemestane Low-priority: Computational docking butethal vs type_1_diabetes_mellitus targets. Cross-check butethal pharmacophore against type_1_diabetes_mellitus pathway. l-cystine obesity GAP_LOW 0.1333 0.03225806451612903 betamethasone Low-priority: Computational docking l-cystine vs obesity targets. Cross-check l-cystine pharmacophore against obesity pathway. diphenhydramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1332 0.5161290322580645 methadone High-priority: Binding assay diphenhydramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methadone (Jaccard=0.52) drostanolone type_2_diabetes_mellitus GAP_HIGH 0.1332 0.3181818181818182 levorphanol High-priority: Binding assay drostanolone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to levorphanol (Jaccard=0.32) epirubicin peripheral_nervous_system_neoplasm GAP_HIGH 0.1332 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to podofilox (Jaccard=0.29) epirubicin urinary_bladder_cancer GAP_HIGH 0.1332 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in urinary_bladder_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) melphalan focal_segmental_glomerulosclerosis GAP_HIGH 0.1332 0.2571428571428571 fenoprofen High-priority: Binding assay melphalan→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.26) diethylpropion kidney_cancer GAP_HIGH 0.1332 0.25 aminoglutethimide High-priority: Binding assay diethylpropion→?; validate in kidney_cancer cell model. Expected: similar to aminoglutethimide (Jaccard=0.25) ponatinib systemic_lupus_erythematosus GAP_HIGH 0.1332 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sunitinib (Jaccard=0.25) bepotastine prostate_cancer GAP_HIGH 0.1332 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in prostate_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol thymus_cancer GAP_HIGH 0.1332 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in thymus_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) nandrolone_phenpropionate migraine GAP_HIGH 0.1332 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in migraine cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) dobutamine mediastinal_cancer GAP_HIGH 0.1332 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.22) nilotinib duodenum_cancer GAP_HIGH 0.1332 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) nilotinib gallbladder_cancer GAP_HIGH 0.1332 0.2222222222222222 irinotecan High-priority: Binding assay nilotinib→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.22) arformoterol conduct_disorder GAP_HIGH 0.1332 0.2 mebendazole High-priority: Binding assay arformoterol→?; validate in conduct_disorder cell model. Expected: similar to mebendazole (Jaccard=0.20) dasatinib head_and_neck_cancer GAP_HIGH 0.1332 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in head_and_neck_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) dasatinib malignant_glioma GAP_HIGH 0.1332 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in malignant_glioma cell model. Expected: similar to irinotecan (Jaccard=0.20) dopamine crohns_disease GAP_HIGH 0.1332 0.1875 methyldopa High-priority: Binding assay dopamine→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) pirbuterol type_1_diabetes_mellitus GAP_HIGH 0.1332 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.19) nisoldipine systemic_lupus_erythematosus GAP_HIGH 0.1332 0.16 diphenylpyraline High-priority: Binding assay nisoldipine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) methsuximide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1332 0.15789473684210525 ephedrine High-priority: Binding assay methsuximide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.16) l-arginine allergic_rhinitis GAP_HIGH 0.1332 0.15384615384615385 lisinopril High-priority: Binding assay l-arginine→?; validate in allergic_rhinitis cell model. Expected: similar to lisinopril (Jaccard=0.15) aciclovir type_1_diabetes_mellitus GAP_LOW 0.1332 0.1111111111111111 glimepiride Low-priority: Computational docking aciclovir vs type_1_diabetes_mellitus targets. Cross-check aciclovir pharmacophore against type_1_diabetes_mellitus pathway. benazepril ankylosing_spondylitis GAP_LOW 0.1332 0.1111111111111111 menadione Low-priority: Computational docking benazepril vs ankylosing_spondylitis targets. Cross-check benazepril pharmacophore against ankylosing_spondylitis pathway. l-ornithine pancreatitis GAP_LOW 0.1332 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs pancreatitis targets. Cross-check l-ornithine pharmacophore against pancreatitis pathway. glutethimide idiopathic_pulmonary_fibrosis GAP_LOW 0.1332 0.0975609756097561 diphenhydramine Low-priority: Computational docking glutethimide vs idiopathic_pulmonary_fibrosis targets. Cross-check glutethimide pharmacophore against idiopathic_pulmonary_fibrosis pathway. glimepiride amyotrophic_lateral_sclerosis GAP_LOW 0.1332 0.09090909090909091 desipramine Low-priority: Computational docking glimepiride vs amyotrophic_lateral_sclerosis targets. Cross-check glimepiride pharmacophore against amyotrophic_lateral_sclerosis pathway. phenobarbital pharynx_cancer GAP_LOW 0.1332 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs pharynx_cancer targets. Cross-check phenobarbital pharmacophore against pharynx_cancer pathway. dihomo-gamma-linolenic_acid breast_cancer GAP_LOW 0.1332 0.08695652173913043 mestranol Low-priority: Computational docking dihomo-gamma-linolenic_acid vs breast_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against breast_cancer pathway. olmesartan penile_cancer GAP_LOW 0.1332 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs penile_cancer targets. Cross-check olmesartan pharmacophore against penile_cancer pathway. riboflavin restless_legs_syndrome GAP_LOW 0.1332 0.08695652173913043 phenprocoumon Low-priority: Computational docking riboflavin vs restless_legs_syndrome targets. Cross-check riboflavin pharmacophore against restless_legs_syndrome pathway. flurazepam leprosy GAP_LOW 0.1332 0.08333333333333333 lenalidomide Low-priority: Computational docking flurazepam vs leprosy targets. Cross-check flurazepam pharmacophore against leprosy pathway. methylphenobarbital glaucoma GAP_LOW 0.1332 0.06896551724137931 bevantolol Low-priority: Computational docking methylphenobarbital vs glaucoma targets. Cross-check methylphenobarbital pharmacophore against glaucoma pathway. carprofen malaria GAP_LOW 0.1332 0.058823529411764705 warfarin Low-priority: Computational docking carprofen vs malaria targets. Cross-check carprofen pharmacophore against malaria pathway. zolmitriptan acquired_immunodeficiency_syndrome GAP_LOW 0.1332 0.014705882352941176 adenosine_monophosphate Low-priority: Computational docking zolmitriptan vs acquired_immunodeficiency_syndrome targets. Cross-check zolmitriptan pharmacophore against acquired_immunodeficiency_syndrome pathway. phensuximide amyotrophic_lateral_sclerosis GAP_HIGH 0.1331 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide liver_cancer GAP_HIGH 0.1331 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in liver_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) aprindine creutzfeldt-jakob_disease GAP_HIGH 0.1331 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to desipramine (Jaccard=0.33) crizotinib obesity GAP_HIGH 0.1331 0.3333333333333333 captopril High-priority: Binding assay crizotinib→?; validate in obesity cell model. Expected: similar to captopril (Jaccard=0.33) methamphetamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1331 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) lamivudine esophageal_cancer GAP_HIGH 0.1331 0.2857142857142857 gemcitabine High-priority: Binding assay lamivudine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) cinolazepam psoriasis GAP_HIGH 0.1331 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in psoriasis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) flurazepam uterine_fibroid GAP_HIGH 0.1331 0.2608695652173913 cinchocaine High-priority: Binding assay flurazepam→?; validate in uterine_fibroid cell model. Expected: similar to cinchocaine (Jaccard=0.26) etonogestrel salivary_gland_cancer GAP_HIGH 0.1331 0.25 methimazole High-priority: Binding assay etonogestrel→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) pomalidomide coronary_artery_disease GAP_HIGH 0.1331 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide narcolepsy GAP_HIGH 0.1331 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in narcolepsy cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) tamsulosin ulcerative_colitis GAP_HIGH 0.1331 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in ulcerative_colitis cell model. Expected: similar to fenoprofen (Jaccard=0.24) fluspirilene penile_cancer GAP_HIGH 0.1331 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) aspartame azoospermia GAP_HIGH 0.1331 0.2222222222222222 aprindine High-priority: Binding assay aspartame→?; validate in azoospermia cell model. Expected: similar to aprindine (Jaccard=0.22) dobutamine gout GAP_HIGH 0.1331 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in gout cell model. Expected: similar to mesalazine (Jaccard=0.22) dobutamine primary_biliary_cirrhosis GAP_HIGH 0.1331 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mesalazine (Jaccard=0.22) dobutamine thymus_cancer GAP_HIGH 0.1331 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.22) melatonin stomach_cancer GAP_HIGH 0.1331 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in stomach_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) naloxone germ_cell_cancer GAP_HIGH 0.1331 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in germ_cell_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) phenylephrine coronary_artery_disease GAP_HIGH 0.1331 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.22) l-phenylalanine malaria GAP_HIGH 0.1331 0.2 tranylcypromine High-priority: Binding assay l-phenylalanine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.20) dienestrol glaucoma GAP_HIGH 0.1331 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in glaucoma cell model. Expected: similar to mesalazine (Jaccard=0.18) sulfadiazine gestational_diabetes GAP_HIGH 0.1331 0.15789473684210525 glisoxepide High-priority: Binding assay sulfadiazine→?; validate in gestational_diabetes cell model. Expected: similar to glisoxepide (Jaccard=0.16) colchicine refractive_error GAP_LOW 0.1331 0.14285714285714285 l-carnitine Low-priority: Computational docking colchicine vs refractive_error targets. Cross-check colchicine pharmacophore against refractive_error pathway. l-carnitine hematologic_cancer GAP_LOW 0.1331 0.13333333333333333 tenofovir Low-priority: Computational docking l-carnitine vs hematologic_cancer targets. Cross-check l-carnitine pharmacophore against hematologic_cancer pathway. l-arginine azoospermia GAP_LOW 0.1331 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs azoospermia targets. Cross-check l-arginine pharmacophore against azoospermia pathway. pravastatin asthma GAP_LOW 0.1331 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs asthma targets. Cross-check pravastatin pharmacophore against asthma pathway. pravastatin conduct_disorder GAP_LOW 0.1331 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs conduct_disorder targets. Cross-check pravastatin pharmacophore against conduct_disorder pathway. pravastatin panic_disorder GAP_LOW 0.1331 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs panic_disorder targets. Cross-check pravastatin pharmacophore against panic_disorder pathway. pravastatin schizophrenia GAP_LOW 0.1331 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs schizophrenia targets. Cross-check pravastatin pharmacophore against schizophrenia pathway. tolmetin leprosy GAP_LOW 0.1331 0.1111111111111111 pomalidomide Low-priority: Computational docking tolmetin vs leprosy targets. Cross-check tolmetin pharmacophore against leprosy pathway. travoprost brain_cancer GAP_LOW 0.1331 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs brain_cancer targets. Cross-check travoprost pharmacophore against brain_cancer pathway. travoprost intracranial_aneurysm GAP_LOW 0.1331 0.1 prednicarbate Low-priority: Computational docking travoprost vs intracranial_aneurysm targets. Cross-check travoprost pharmacophore against intracranial_aneurysm pathway. ephedrine alcohol_dependence GAP_LOW 0.1331 0.0975609756097561 mazindol Low-priority: Computational docking ephedrine vs alcohol_dependence targets. Cross-check ephedrine pharmacophore against alcohol_dependence pathway. eprosartan germ_cell_cancer GAP_LOW 0.1331 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs germ_cell_cancer targets. Cross-check eprosartan pharmacophore against germ_cell_cancer pathway. olmesartan crohns_disease GAP_LOW 0.1331 0.09090909090909091 cinnarizine Low-priority: Computational docking olmesartan vs crohns_disease targets. Cross-check olmesartan pharmacophore against crohns_disease pathway. pentobarbital peripheral_nervous_system_neoplasm GAP_LOW 0.1331 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs peripheral_nervous_system_neoplasm targets. Cross-check pentobarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. pentobarbital urinary_bladder_cancer GAP_LOW 0.1331 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs urinary_bladder_cancer targets. Cross-check pentobarbital pharmacophore against urinary_bladder_cancer pathway. aprobarbital salivary_gland_cancer GAP_LOW 0.1331 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs salivary_gland_cancer targets. Cross-check aprobarbital pharmacophore against salivary_gland_cancer pathway. butethal salivary_gland_cancer GAP_LOW 0.1331 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs salivary_gland_cancer targets. Cross-check butethal pharmacophore against salivary_gland_cancer pathway. carboprost_tromethamine chronic_kidney_failure GAP_LOW 0.1331 0.07142857142857142 floctafenine Low-priority: Computational docking carboprost_tromethamine vs chronic_kidney_failure targets. Cross-check carboprost_tromethamine pharmacophore against chronic_kidney_failure pathway. tolazamide dilated_cardiomyopathy GAP_LOW 0.1331 0.0625 trandolapril Low-priority: Computational docking tolazamide vs dilated_cardiomyopathy targets. Cross-check tolazamide pharmacophore against dilated_cardiomyopathy pathway. tetracycline celiac_disease GAP_LOW 0.1331 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs celiac_disease targets. Cross-check tetracycline pharmacophore against celiac_disease pathway. aminolevulinic_acid hepatitis_b GAP_LOW 0.1331 0.015384615384615385 adenosine_triphosphate Low-priority: Computational docking aminolevulinic_acid vs hepatitis_b targets. Cross-check aminolevulinic_acid pharmacophore against hepatitis_b pathway. oxaprozin membranous_glomerulonephritis GAP_HIGH 0.133 0.4 chlorthalidone High-priority: Binding assay oxaprozin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.40) methotrexate obesity GAP_HIGH 0.133 0.375 trimethoprim High-priority: Binding assay methotrexate→?; validate in obesity cell model. Expected: similar to trimethoprim (Jaccard=0.38) mitiglinide pharynx_cancer GAP_HIGH 0.133 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in pharynx_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) fulvestrant malignant_glioma GAP_HIGH 0.133 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in malignant_glioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) l-phenylalanine psoriatic_arthritis GAP_HIGH 0.133 0.2727272727272727 dextroamphetamine High-priority: Binding assay l-phenylalanine→?; validate in psoriatic_arthritis cell model. Expected: similar to dextroamphetamine (Jaccard=0.27) lidocaine malignant_mesothelioma GAP_HIGH 0.133 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in malignant_mesothelioma cell model. Expected: similar to lapatinib (Jaccard=0.27) imipramine chronic_kidney_failure GAP_HIGH 0.133 0.25 acepromazine High-priority: Binding assay imipramine→?; validate in chronic_kidney_failure cell model. Expected: similar to acepromazine (Jaccard=0.25) tamsulosin ovarian_cancer GAP_HIGH 0.133 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in ovarian_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.24) bepotastine mediastinal_cancer GAP_HIGH 0.133 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in mediastinal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol hematologic_cancer GAP_HIGH 0.133 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in hematologic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol narcolepsy GAP_HIGH 0.133 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in narcolepsy cell model. Expected: similar to loperamide (Jaccard=0.24) melatonin pancreatic_cancer GAP_HIGH 0.133 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in pancreatic_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) chlordiazepoxide leprosy GAP_HIGH 0.133 0.20833333333333334 phensuximide High-priority: Binding assay chlordiazepoxide→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.21) streptozocin alzheimers_disease GAP_LOW 0.133 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs alzheimers_disease targets. Cross-check streptozocin pharmacophore against alzheimers_disease pathway. streptozocin parkinsons_disease GAP_LOW 0.133 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs parkinsons_disease targets. Cross-check streptozocin pharmacophore against parkinsons_disease pathway. travoprost metabolic_syndrome_x GAP_LOW 0.133 0.125 treprostinil Low-priority: Computational docking travoprost vs metabolic_syndrome_x targets. Cross-check travoprost pharmacophore against metabolic_syndrome_x pathway. tropicamide alopecia_areata GAP_LOW 0.133 0.125 drospirenone Low-priority: Computational docking tropicamide vs alopecia_areata targets. Cross-check tropicamide pharmacophore against alopecia_areata pathway. pravastatin allergic_rhinitis GAP_LOW 0.133 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs allergic_rhinitis targets. Cross-check pravastatin pharmacophore against allergic_rhinitis pathway. pravastatin atopic_dermatitis GAP_LOW 0.133 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs atopic_dermatitis targets. Cross-check pravastatin pharmacophore against atopic_dermatitis pathway. pravastatin colon_cancer GAP_LOW 0.133 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs colon_cancer targets. Cross-check pravastatin pharmacophore against colon_cancer pathway. zafirlukast dilated_cardiomyopathy GAP_LOW 0.133 0.1111111111111111 trandolapril Low-priority: Computational docking zafirlukast vs dilated_cardiomyopathy targets. Cross-check zafirlukast pharmacophore against dilated_cardiomyopathy pathway. gliquidone breast_cancer GAP_LOW 0.133 0.10526315789473684 sotalol Low-priority: Computational docking gliquidone vs breast_cancer targets. Cross-check gliquidone pharmacophore against breast_cancer pathway. vorinostat atherosclerosis GAP_LOW 0.133 0.10526315789473684 acetylsalicylic_acid Low-priority: Computational docking vorinostat vs atherosclerosis targets. Cross-check vorinostat pharmacophore against atherosclerosis pathway. carvedilol chronic_kidney_failure GAP_LOW 0.133 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs chronic_kidney_failure targets. Cross-check carvedilol pharmacophore against chronic_kidney_failure pathway. glimepiride meningioma GAP_LOW 0.133 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs meningioma targets. Cross-check glimepiride pharmacophore against meningioma pathway. tauroursodeoxycholic_acid creutzfeldt-jakob_disease GAP_LOW 0.133 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs creutzfeldt-jakob_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against creutzfeldt-jakob_disease pathway. dasatinib leprosy GAP_LOW 0.133 0.0625 menadione Low-priority: Computational docking dasatinib vs leprosy targets. Cross-check dasatinib pharmacophore against leprosy pathway. l-cystine type_2_diabetes_mellitus GAP_LOW 0.133 0.03333333333333333 rimexolone Low-priority: Computational docking l-cystine vs type_2_diabetes_mellitus targets. Cross-check l-cystine pharmacophore against type_2_diabetes_mellitus pathway. aminolevulinic_acid esophageal_cancer GAP_LOW 0.133 0.02702702702702703 lapatinib Low-priority: Computational docking aminolevulinic_acid vs esophageal_cancer targets. Cross-check aminolevulinic_acid pharmacophore against esophageal_cancer pathway. bevantolol hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking bevantolol vs hypothyroidism targets. Cross-check bevantolol pharmacophore against hypothyroidism pathway. cyproterone_acetate hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking cyproterone_acetate vs hypothyroidism targets. Cross-check cyproterone_acetate pharmacophore against hypothyroidism pathway. dronedarone head_and_neck_cancer GAP_LOW 0.133 0.0 hydrocortisone Low-priority: Computational docking dronedarone vs head_and_neck_cancer targets. Cross-check dronedarone pharmacophore against head_and_neck_cancer pathway. dronedarone malignant_glioma GAP_LOW 0.133 0.0 hydrocortisone Low-priority: Computational docking dronedarone vs malignant_glioma targets. Cross-check dronedarone pharmacophore against malignant_glioma pathway. metoclopramide hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking metoclopramide vs hypothyroidism targets. Cross-check metoclopramide pharmacophore against hypothyroidism pathway. midazolam hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking midazolam vs hypothyroidism targets. Cross-check midazolam pharmacophore against hypothyroidism pathway. orlistat head_and_neck_cancer GAP_LOW 0.133 0.0 hydrocortisone Low-priority: Computational docking orlistat vs head_and_neck_cancer targets. Cross-check orlistat pharmacophore against head_and_neck_cancer pathway. orlistat malignant_glioma GAP_LOW 0.133 0.0 hydrocortisone Low-priority: Computational docking orlistat vs malignant_glioma targets. Cross-check orlistat pharmacophore against malignant_glioma pathway. procainamide hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking procainamide vs hypothyroidism targets. Cross-check procainamide pharmacophore against hypothyroidism pathway. vismodegib hypothyroidism GAP_LOW 0.133 0.0 methimazole Low-priority: Computational docking vismodegib vs hypothyroidism targets. Cross-check vismodegib pharmacophore against hypothyroidism pathway. phenprocoumon rectum_cancer GAP_HIGH 0.1329 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) isopropamide celiac_disease GAP_HIGH 0.1329 0.3333333333333333 benzatropine High-priority: Binding assay isopropamide→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.33) glucosamine sclerosing_cholangitis GAP_HIGH 0.1329 0.32 cladribine High-priority: Binding assay glucosamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cladribine (Jaccard=0.32) sulfapyridine epilepsy_syndrome GAP_HIGH 0.1329 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in epilepsy_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.29) selegiline ocular_cancer GAP_HIGH 0.1329 0.2727272727272727 phenylpropanolamine High-priority: Binding assay selegiline→?; validate in ocular_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.27) thalidomide osteoarthritis GAP_HIGH 0.1329 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in osteoarthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) ethynodiol malignant_mesothelioma GAP_HIGH 0.1329 0.25 fulvestrant High-priority: Binding assay ethynodiol→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.25) phenindione malignant_mesothelioma GAP_HIGH 0.1329 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.25) bepotastine thymus_cancer GAP_HIGH 0.1329 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in thymus_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene malignant_mesothelioma GAP_HIGH 0.1329 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in malignant_mesothelioma cell model. Expected: similar to loperamide (Jaccard=0.24) methadyl_acetate malaria GAP_HIGH 0.1329 0.23076923076923078 modafinil High-priority: Binding assay methadyl_acetate→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.23) dobutamine coronary_artery_disease GAP_HIGH 0.1329 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in coronary_artery_disease cell model. Expected: similar to mesalazine (Jaccard=0.22) melatonin uterine_cancer GAP_HIGH 0.1329 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in uterine_cancer cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) ethylmorphine gilles_de_la_tourette_syndrome GAP_HIGH 0.1329 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.21) dienestrol intracranial_aneurysm GAP_HIGH 0.1329 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in intracranial_aneurysm cell model. Expected: similar to estrone (Jaccard=0.18) anisindione sclerosing_cholangitis GAP_HIGH 0.1329 0.16666666666666666 phenindamine High-priority: Binding assay anisindione→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenindamine (Jaccard=0.17) nimodipine ulcerative_colitis GAP_LOW 0.1329 0.15 fentanyl Low-priority: Computational docking nimodipine vs ulcerative_colitis targets. Cross-check nimodipine pharmacophore against ulcerative_colitis pathway. streptozocin amyotrophic_lateral_sclerosis GAP_LOW 0.1329 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs amyotrophic_lateral_sclerosis targets. Cross-check streptozocin pharmacophore against amyotrophic_lateral_sclerosis pathway. dinoprostone restless_legs_syndrome GAP_LOW 0.1329 0.125 pyrimethamine Low-priority: Computational docking dinoprostone vs restless_legs_syndrome targets. Cross-check dinoprostone pharmacophore against restless_legs_syndrome pathway. l-arginine membranous_glomerulonephritis GAP_LOW 0.1329 0.125 bumetanide Low-priority: Computational docking l-arginine vs membranous_glomerulonephritis targets. Cross-check l-arginine pharmacophore against membranous_glomerulonephritis pathway. l-ornithine ocular_cancer GAP_LOW 0.1329 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs ocular_cancer targets. Cross-check l-ornithine pharmacophore against ocular_cancer pathway. pravastatin bipolar_disorder GAP_LOW 0.1329 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs bipolar_disorder targets. Cross-check pravastatin pharmacophore against bipolar_disorder pathway. captopril celiac_disease GAP_LOW 0.1329 0.1 sorafenib Low-priority: Computational docking captopril vs celiac_disease targets. Cross-check captopril pharmacophore against celiac_disease pathway. dasatinib gestational_diabetes GAP_LOW 0.1329 0.1 gliclazide Low-priority: Computational docking dasatinib vs gestational_diabetes targets. Cross-check dasatinib pharmacophore against gestational_diabetes pathway. olmesartan pharynx_cancer GAP_LOW 0.1329 0.1 aspartame Low-priority: Computational docking olmesartan vs pharynx_cancer targets. Cross-check olmesartan pharmacophore against pharynx_cancer pathway. lercanidipine focal_segmental_glomerulosclerosis GAP_LOW 0.1329 0.09523809523809523 bevantolol Low-priority: Computational docking lercanidipine vs focal_segmental_glomerulosclerosis targets. Cross-check lercanidipine pharmacophore against focal_segmental_glomerulosclerosis pathway. aprobarbital ocular_cancer GAP_LOW 0.1329 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs ocular_cancer targets. Cross-check aprobarbital pharmacophore against ocular_cancer pathway. butethal ocular_cancer GAP_LOW 0.1329 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs ocular_cancer targets. Cross-check butethal pharmacophore against ocular_cancer pathway. tafluprost atherosclerosis GAP_LOW 0.1329 0.06666666666666667 salicylic_acid Low-priority: Computational docking tafluprost vs atherosclerosis targets. Cross-check tafluprost pharmacophore against atherosclerosis pathway. butabarbital brain_cancer GAP_LOW 0.1329 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs brain_cancer targets. Cross-check butabarbital pharmacophore against brain_cancer pathway. butabarbital intracranial_aneurysm GAP_LOW 0.1329 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs intracranial_aneurysm targets. Cross-check butabarbital pharmacophore against intracranial_aneurysm pathway. orlistat kidney_cancer GAP_LOW 0.1329 0.0 oxybuprocaine Low-priority: Computational docking orlistat vs kidney_cancer targets. Cross-check orlistat pharmacophore against kidney_cancer pathway. propofol larynx_cancer GAP_LOW 0.1329 0.0 vinblastine Low-priority: Computational docking propofol vs larynx_cancer targets. Cross-check propofol pharmacophore against larynx_cancer pathway. thioproperazine thyroid_cancer GAP_HIGH 0.1328 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) azelastine sclerosing_cholangitis GAP_HIGH 0.1328 0.38461538461538464 chlordiazepoxide High-priority: Binding assay azelastine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.38) mefenamic_acid primary_biliary_cirrhosis GAP_HIGH 0.1328 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.37) l-dopa celiac_disease GAP_HIGH 0.1328 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in celiac_disease cell model. Expected: similar to carbidopa (Jaccard=0.35) diethylpropion uterine_cancer GAP_HIGH 0.1328 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) cinolazepam systemic_lupus_erythematosus GAP_HIGH 0.1328 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) tripelennamine malignant_mesothelioma GAP_HIGH 0.1328 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.27) cinchocaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1328 0.23809523809523808 tranylcypromine High-priority: Binding assay cinchocaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.24) dapsone ocular_cancer GAP_HIGH 0.1328 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in ocular_cancer cell model. Expected: similar to polythiazide (Jaccard=0.23) melatonin sarcoma GAP_HIGH 0.1328 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in sarcoma cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) diclofenamide gout GAP_HIGH 0.1328 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in gout cell model. Expected: similar to indapamide (Jaccard=0.17) nimodipine osteoporosis GAP_LOW 0.1328 0.15 fentanyl Low-priority: Computational docking nimodipine vs osteoporosis targets. Cross-check nimodipine pharmacophore against osteoporosis pathway. tenofovir glaucoma GAP_LOW 0.1328 0.13333333333333333 l-carnitine Low-priority: Computational docking tenofovir vs glaucoma targets. Cross-check tenofovir pharmacophore against glaucoma pathway. candesartan psoriasis GAP_LOW 0.1328 0.1111111111111111 dipivefrin Low-priority: Computational docking candesartan vs psoriasis targets. Cross-check candesartan pharmacophore against psoriasis pathway. gliclazide acquired_immunodeficiency_syndrome GAP_LOW 0.1328 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs acquired_immunodeficiency_syndrome targets. Cross-check gliclazide pharmacophore against acquired_immunodeficiency_syndrome pathway. pravastatin endogenous_depression GAP_LOW 0.1328 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs endogenous_depression targets. Cross-check pravastatin pharmacophore against endogenous_depression pathway. pravastatin psoriasis GAP_LOW 0.1328 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs psoriasis targets. Cross-check pravastatin pharmacophore against psoriasis pathway. pravastatin ulcerative_colitis GAP_LOW 0.1328 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs ulcerative_colitis targets. Cross-check pravastatin pharmacophore against ulcerative_colitis pathway. valsartan penile_cancer GAP_LOW 0.1328 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs penile_cancer targets. Cross-check valsartan pharmacophore against penile_cancer pathway. sunitinib pagets_disease_of_bone GAP_LOW 0.1328 0.07142857142857142 histamine_phosphate Low-priority: Computational docking sunitinib vs pagets_disease_of_bone targets. Cross-check sunitinib pharmacophore against pagets_disease_of_bone pathway. butabarbital meningioma GAP_LOW 0.1328 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs meningioma targets. Cross-check butabarbital pharmacophore against meningioma pathway. orlistat nephrolithiasis GAP_LOW 0.1328 0.0 hydrocortisone Low-priority: Computational docking orlistat vs nephrolithiasis targets. Cross-check orlistat pharmacophore against nephrolithiasis pathway. propiomazine systemic_lupus_erythematosus GAP_HIGH 0.1327 0.375 promethazine High-priority: Binding assay propiomazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to promethazine (Jaccard=0.38) phenprocoumon liver_cancer GAP_HIGH 0.1327 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) benzphetamine chronic_kidney_failure GAP_HIGH 0.1327 0.3333333333333333 pheniramine High-priority: Binding assay benzphetamine→?; validate in chronic_kidney_failure cell model. Expected: similar to pheniramine (Jaccard=0.33) mitiglinide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1327 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to nateglinide (Jaccard=0.33) phensuximide gilles_de_la_tourette_syndrome GAP_HIGH 0.1327 0.3333333333333333 loxapine High-priority: Binding assay phensuximide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.33) ketorolac alzheimers_disease GAP_HIGH 0.1327 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in alzheimers_disease cell model. Expected: similar to suprofen (Jaccard=0.31) diethylpropion sarcoma GAP_HIGH 0.1327 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in sarcoma cell model. Expected: similar to mitiglinide (Jaccard=0.29) epirubicin stomach_cancer GAP_HIGH 0.1327 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in stomach_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) cinolazepam metabolic_syndrome_x GAP_HIGH 0.1327 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) oxcarbazepine malaria GAP_HIGH 0.1327 0.2777777777777778 antipyrine High-priority: Binding assay oxcarbazepine→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.28) tolterodine focal_segmental_glomerulosclerosis GAP_HIGH 0.1327 0.2727272727272727 promethazine High-priority: Binding assay tolterodine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.27) bepotastine hematologic_cancer GAP_HIGH 0.1327 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in hematologic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine narcolepsy GAP_HIGH 0.1327 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in narcolepsy cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib ankylosing_spondylitis GAP_HIGH 0.1327 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.24) nandrolone_phenpropionate malignant_mesothelioma GAP_HIGH 0.1327 0.21052631578947367 fludrocortisone High-priority: Binding assay nandrolone_phenpropionate→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.21) colchicine ankylosing_spondylitis GAP_HIGH 0.1327 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in ankylosing_spondylitis cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) norepinephrine brain_cancer GAP_HIGH 0.1327 0.16666666666666666 histamine_phosphate High-priority: Binding assay norepinephrine→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) nisoldipine membranous_glomerulonephritis GAP_LOW 0.1327 0.125 metolazone Low-priority: Computational docking nisoldipine vs membranous_glomerulonephritis targets. Cross-check nisoldipine pharmacophore against membranous_glomerulonephritis pathway. glipizide creutzfeldt-jakob_disease GAP_LOW 0.1327 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs creutzfeldt-jakob_disease targets. Cross-check glipizide pharmacophore against creutzfeldt-jakob_disease pathway. pravastatin migraine GAP_LOW 0.1327 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs migraine targets. Cross-check pravastatin pharmacophore against migraine pathway. losartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1327 0.1 epinephrine Low-priority: Computational docking losartan vs idiopathic_pulmonary_fibrosis targets. Cross-check losartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. nisoldipine acquired_immunodeficiency_syndrome GAP_LOW 0.1327 0.05555555555555555 nateglinide Low-priority: Computational docking nisoldipine vs acquired_immunodeficiency_syndrome targets. Cross-check nisoldipine pharmacophore against acquired_immunodeficiency_syndrome pathway. dinoprost_tromethamine lymphatic_system_cancer GAP_LOW 0.1327 0.04 glucosamine Low-priority: Computational docking dinoprost_tromethamine vs lymphatic_system_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against lymphatic_system_cancer pathway. orlistat celiac_disease GAP_LOW 0.1327 0.0 hydrocortisone Low-priority: Computational docking orlistat vs celiac_disease targets. Cross-check orlistat pharmacophore against celiac_disease pathway. drospirenone head_and_neck_cancer GAP_HIGH 0.1326 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in head_and_neck_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) propericiazine malignant_mesothelioma GAP_HIGH 0.1326 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.39) doxepin focal_segmental_glomerulosclerosis GAP_HIGH 0.1326 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acepromazine (Jaccard=0.38) fludiazepam crohns_disease GAP_HIGH 0.1326 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.35) chlorpromazine alcohol_dependence GAP_HIGH 0.1326 0.3181818181818182 mazindol High-priority: Binding assay chlorpromazine→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.32) suprofen type_1_diabetes_mellitus GAP_HIGH 0.1326 0.3 bromfenac High-priority: Binding assay suprofen→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.30) epirubicin pancreatic_cancer GAP_HIGH 0.1326 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in pancreatic_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) antazoline meningioma GAP_HIGH 0.1326 0.28 diphenylpyraline High-priority: Binding assay antazoline→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) sulfadiazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1326 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) anileridine penile_cancer GAP_HIGH 0.1326 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) bepridil alcohol_dependence GAP_HIGH 0.1326 0.25 ethylmorphine High-priority: Binding assay bepridil→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.25) estazolam membranous_glomerulonephritis GAP_HIGH 0.1326 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.25) ponatinib systemic_scleroderma GAP_HIGH 0.1326 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in systemic_scleroderma cell model. Expected: similar to sunitinib (Jaccard=0.25) chlorthalidone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1326 0.21428571428571427 ephedrine High-priority: Binding assay chlorthalidone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.21) flavin_adenine_dinucleotide psoriatic_arthritis GAP_HIGH 0.1326 0.2 tetrahydrofolic_acid High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in psoriatic_arthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.20) codeine gilles_de_la_tourette_syndrome GAP_HIGH 0.1326 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.16) phenylephrine dilated_cardiomyopathy GAP_LOW 0.1326 0.125 milrinone Low-priority: Computational docking phenylephrine vs dilated_cardiomyopathy targets. Cross-check phenylephrine pharmacophore against dilated_cardiomyopathy pathway. travoprost obesity GAP_LOW 0.1326 0.125 treprostinil Low-priority: Computational docking travoprost vs obesity targets. Cross-check travoprost pharmacophore against obesity pathway. dinoprostone ankylosing_spondylitis GAP_LOW 0.1326 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs ankylosing_spondylitis targets. Cross-check dinoprostone pharmacophore against ankylosing_spondylitis pathway. losartan ankylosing_spondylitis GAP_LOW 0.1326 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs ankylosing_spondylitis targets. Cross-check losartan pharmacophore against ankylosing_spondylitis pathway. valsartan hypertension GAP_LOW 0.1326 0.1111111111111111 solifenacin Low-priority: Computational docking valsartan vs hypertension targets. Cross-check valsartan pharmacophore against hypertension pathway. carvedilol intracranial_aneurysm GAP_LOW 0.1326 0.09090909090909091 dexamethasone Low-priority: Computational docking carvedilol vs intracranial_aneurysm targets. Cross-check carvedilol pharmacophore against intracranial_aneurysm pathway. phenobarbital salivary_gland_cancer GAP_LOW 0.1326 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs salivary_gland_cancer targets. Cross-check phenobarbital pharmacophore against salivary_gland_cancer pathway. valsartan crohns_disease GAP_LOW 0.1326 0.09090909090909091 cinnarizine Low-priority: Computational docking valsartan vs crohns_disease targets. Cross-check valsartan pharmacophore against crohns_disease pathway. ranolazine larynx_cancer GAP_LOW 0.1326 0.0625 epirubicin Low-priority: Computational docking ranolazine vs larynx_cancer targets. Cross-check ranolazine pharmacophore against larynx_cancer pathway. alprazolam pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking alprazolam vs pagets_disease_of_bone targets. Cross-check alprazolam pharmacophore against pagets_disease_of_bone pathway. azacitidine pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking azacitidine vs pagets_disease_of_bone targets. Cross-check azacitidine pharmacophore against pagets_disease_of_bone pathway. danazol pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking danazol vs pagets_disease_of_bone targets. Cross-check danazol pharmacophore against pagets_disease_of_bone pathway. diclofenamide pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking diclofenamide vs pagets_disease_of_bone targets. Cross-check diclofenamide pharmacophore against pagets_disease_of_bone pathway. dipivefrin pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking dipivefrin vs pagets_disease_of_bone targets. Cross-check dipivefrin pharmacophore against pagets_disease_of_bone pathway. droperidol pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking droperidol vs pagets_disease_of_bone targets. Cross-check droperidol pharmacophore against pagets_disease_of_bone pathway. etonogestrel pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking etonogestrel vs pagets_disease_of_bone targets. Cross-check etonogestrel pharmacophore against pagets_disease_of_bone pathway. fluspirilene pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking fluspirilene vs pagets_disease_of_bone targets. Cross-check fluspirilene pharmacophore against pagets_disease_of_bone pathway. furosemide pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking furosemide vs pagets_disease_of_bone targets. Cross-check furosemide pharmacophore against pagets_disease_of_bone pathway. l-cystine chronic_kidney_failure GAP_LOW 0.1326 0.0 cinolazepam Low-priority: Computational docking l-cystine vs chronic_kidney_failure targets. Cross-check l-cystine pharmacophore against chronic_kidney_failure pathway. nandrolone_phenpropionate pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking nandrolone_phenpropionate vs pagets_disease_of_bone targets. Cross-check nandrolone_phenpropionate pharmacophore against pagets_disease_of_bone pathway. norelgestromin pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking norelgestromin vs pagets_disease_of_bone targets. Cross-check norelgestromin pharmacophore against pagets_disease_of_bone pathway. orlistat chronic_kidney_failure GAP_LOW 0.1326 0.0 cinolazepam Low-priority: Computational docking orlistat vs chronic_kidney_failure targets. Cross-check orlistat pharmacophore against chronic_kidney_failure pathway. regadenoson pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking regadenoson vs pagets_disease_of_bone targets. Cross-check regadenoson pharmacophore against pagets_disease_of_bone pathway. stanozolol pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking stanozolol vs pagets_disease_of_bone targets. Cross-check stanozolol pharmacophore against pagets_disease_of_bone pathway. tolmetin pagets_disease_of_bone GAP_LOW 0.1326 0.0 ibandronate Low-priority: Computational docking tolmetin vs pagets_disease_of_bone targets. Cross-check tolmetin pharmacophore against pagets_disease_of_bone pathway. methotrexate restless_legs_syndrome GAP_HIGH 0.1325 0.375 trimethoprim High-priority: Binding assay methotrexate→?; validate in restless_legs_syndrome cell model. Expected: similar to trimethoprim (Jaccard=0.38) propiomazine skin_cancer GAP_HIGH 0.1325 0.375 promethazine High-priority: Binding assay propiomazine→?; validate in skin_cancer cell model. Expected: similar to promethazine (Jaccard=0.38) phenprocoumon peripheral_nervous_system_neoplasm GAP_HIGH 0.1325 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.36) crizotinib type_2_diabetes_mellitus GAP_HIGH 0.1325 0.3333333333333333 captopril High-priority: Binding assay crizotinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to captopril (Jaccard=0.33) podofilox primary_biliary_cirrhosis GAP_HIGH 0.1325 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to epirubicin (Jaccard=0.29) flunarizine celiac_disease GAP_HIGH 0.1325 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in celiac_disease cell model. Expected: similar to cinnarizine (Jaccard=0.25) pseudoephedrine leprosy GAP_HIGH 0.1325 0.25 pomalidomide High-priority: Binding assay pseudoephedrine→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.25) dapsone urinary_bladder_cancer GAP_HIGH 0.1325 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in urinary_bladder_cancer cell model. Expected: similar to polythiazide (Jaccard=0.23) melatonin metabolic_syndrome_x GAP_HIGH 0.1325 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in metabolic_syndrome_x cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) naloxone penile_cancer GAP_HIGH 0.1325 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in penile_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) dienestrol prostate_cancer GAP_HIGH 0.1325 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in prostate_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) metolazone hypertension GAP_HIGH 0.1325 0.16666666666666666 nimodipine High-priority: Binding assay metolazone→?; validate in hypertension cell model. Expected: similar to nimodipine (Jaccard=0.17) pentostatin psoriatic_arthritis GAP_HIGH 0.1325 0.16666666666666666 ribavirin High-priority: Binding assay pentostatin→?; validate in psoriatic_arthritis cell model. Expected: similar to ribavirin (Jaccard=0.17) quinethazone hepatitis_b GAP_HIGH 0.1325 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.17) olanzapine alcohol_dependence GAP_HIGH 0.1325 0.15384615384615385 temazepam High-priority: Binding assay olanzapine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.15) nimodipine systemic_lupus_erythematosus GAP_LOW 0.1325 0.15 fentanyl Low-priority: Computational docking nimodipine vs systemic_lupus_erythematosus targets. Cross-check nimodipine pharmacophore against systemic_lupus_erythematosus pathway. amphetamine intracranial_aneurysm GAP_LOW 0.1325 0.1111111111111111 dexamethasone Low-priority: Computational docking amphetamine vs intracranial_aneurysm targets. Cross-check amphetamine pharmacophore against intracranial_aneurysm pathway. candesartan systemic_lupus_erythematosus GAP_LOW 0.1325 0.1111111111111111 streptozocin Low-priority: Computational docking candesartan vs systemic_lupus_erythematosus targets. Cross-check candesartan pharmacophore against systemic_lupus_erythematosus pathway. clofibrate gilles_de_la_tourette_syndrome GAP_LOW 0.1325 0.10344827586206896 modafinil Low-priority: Computational docking clofibrate vs gilles_de_la_tourette_syndrome targets. Cross-check clofibrate pharmacophore against gilles_de_la_tourette_syndrome pathway. medroxyprogesterone_acetate leprosy GAP_LOW 0.1325 0.1 menadione Low-priority: Computational docking medroxyprogesterone_acetate vs leprosy targets. Cross-check medroxyprogesterone_acetate pharmacophore against leprosy pathway. olmesartan primary_biliary_cirrhosis GAP_LOW 0.1325 0.09090909090909091 alvimopan Low-priority: Computational docking olmesartan vs primary_biliary_cirrhosis targets. Cross-check olmesartan pharmacophore against primary_biliary_cirrhosis pathway. aprobarbital peripheral_nervous_system_neoplasm GAP_LOW 0.1325 0.08333333333333333 phenylbutazone Low-priority: Computational docking aprobarbital vs peripheral_nervous_system_neoplasm targets. Cross-check aprobarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. butethal peripheral_nervous_system_neoplasm GAP_LOW 0.1325 0.08333333333333333 phenylbutazone Low-priority: Computational docking butethal vs peripheral_nervous_system_neoplasm targets. Cross-check butethal pharmacophore against peripheral_nervous_system_neoplasm pathway. aminolevulinic_acid crohns_disease GAP_LOW 0.1325 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs crohns_disease targets. Cross-check aminolevulinic_acid pharmacophore against crohns_disease pathway. benazepril atherosclerosis GAP_LOW 0.1325 0.045454545454545456 pseudoephedrine Low-priority: Computational docking benazepril vs atherosclerosis targets. Cross-check benazepril pharmacophore against atherosclerosis pathway. aminolevulinic_acid germ_cell_cancer GAP_LOW 0.1325 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs germ_cell_cancer targets. Cross-check aminolevulinic_acid pharmacophore against germ_cell_cancer pathway. methacholine hepatitis_b GAP_LOW 0.1325 0.02857142857142857 adenosine_triphosphate Low-priority: Computational docking methacholine vs hepatitis_b targets. Cross-check methacholine pharmacophore against hepatitis_b pathway. triflupromazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1324 0.4 acepromazine High-priority: Binding assay triflupromazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to acepromazine (Jaccard=0.40) phensuximide stomach_cancer GAP_HIGH 0.1324 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in stomach_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) salsalate type_1_diabetes_mellitus GAP_HIGH 0.1324 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.38) methamphetamine ovarian_cancer GAP_HIGH 0.1324 0.3333333333333333 phenylpropanolamine High-priority: Binding assay methamphetamine→?; validate in ovarian_cancer cell model. Expected: similar to phenylpropanolamine (Jaccard=0.33) mitiglinide salivary_gland_cancer GAP_HIGH 0.1324 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in salivary_gland_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) cyclizine gilles_de_la_tourette_syndrome GAP_HIGH 0.1324 0.3125 temazepam High-priority: Binding assay cyclizine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to temazepam (Jaccard=0.31) tolterodine primary_biliary_cirrhosis GAP_HIGH 0.1324 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.30) epirubicin ovarian_cancer GAP_HIGH 0.1324 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in ovarian_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) epirubicin sarcoma GAP_HIGH 0.1324 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in sarcoma cell model. Expected: similar to podofilox (Jaccard=0.29) epirubicin uterine_cancer GAP_HIGH 0.1324 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in uterine_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) probenecid duodenum_cancer GAP_HIGH 0.1324 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) probenecid gallbladder_cancer GAP_HIGH 0.1324 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) tranylcypromine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1324 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) butenafine refractive_error GAP_HIGH 0.1324 0.25 propranolol High-priority: Binding assay butenafine→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.25) ethylmorphine stomach_cancer GAP_HIGH 0.1324 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.25) topotecan brain_cancer GAP_HIGH 0.1324 0.25 alclometasone High-priority: Binding assay topotecan→?; validate in brain_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) topotecan intracranial_aneurysm GAP_HIGH 0.1324 0.25 alclometasone High-priority: Binding assay topotecan→?; validate in intracranial_aneurysm cell model. Expected: similar to alclometasone (Jaccard=0.25) methamphetamine acquired_immunodeficiency_syndrome GAP_HIGH 0.1324 0.23076923076923078 mitiglinide High-priority: Binding assay methamphetamine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.23) methyclothiazide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1324 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ritodrine (Jaccard=0.18) clofibrate meningioma GAP_LOW 0.1324 0.125 alclometasone Low-priority: Computational docking clofibrate vs meningioma targets. Cross-check clofibrate pharmacophore against meningioma pathway. travoprost systemic_scleroderma GAP_LOW 0.1324 0.125 treprostinil Low-priority: Computational docking travoprost vs systemic_scleroderma targets. Cross-check travoprost pharmacophore against systemic_scleroderma pathway. ranolazine uterine_cancer GAP_LOW 0.1324 0.11764705882352941 mitiglinide Low-priority: Computational docking ranolazine vs uterine_cancer targets. Cross-check ranolazine pharmacophore against uterine_cancer pathway. sulpiride refractive_error GAP_LOW 0.1324 0.1 sotalol Low-priority: Computational docking sulpiride vs refractive_error targets. Cross-check sulpiride pharmacophore against refractive_error pathway. ibuprofen azoospermia GAP_LOW 0.1324 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking ibuprofen vs azoospermia targets. Cross-check ibuprofen pharmacophore against azoospermia pathway. riboflavin chronic_obstructive_pulmonary_disease GAP_LOW 0.1324 0.06896551724137931 propafenone Low-priority: Computational docking riboflavin vs chronic_obstructive_pulmonary_disease targets. Cross-check riboflavin pharmacophore against chronic_obstructive_pulmonary_disease pathway. tauroursodeoxycholic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1324 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. methylphenobarbital alopecia_areata GAP_LOW 0.1324 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking methylphenobarbital vs alopecia_areata targets. Cross-check methylphenobarbital pharmacophore against alopecia_areata pathway. cilazapril atherosclerosis GAP_LOW 0.1324 0.045454545454545456 pseudoephedrine Low-priority: Computational docking cilazapril vs atherosclerosis targets. Cross-check cilazapril pharmacophore against atherosclerosis pathway. tetracycline focal_segmental_glomerulosclerosis GAP_LOW 0.1324 0.045454545454545456 propranolol Low-priority: Computational docking tetracycline vs focal_segmental_glomerulosclerosis targets. Cross-check tetracycline pharmacophore against focal_segmental_glomerulosclerosis pathway. acetylcysteine lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking acetylcysteine vs lymphatic_system_cancer targets. Cross-check acetylcysteine pharmacophore against lymphatic_system_cancer pathway. amobarbital lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking amobarbital vs lymphatic_system_cancer targets. Cross-check amobarbital pharmacophore against lymphatic_system_cancer pathway. dextrothyroxine lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking dextrothyroxine vs lymphatic_system_cancer targets. Cross-check dextrothyroxine pharmacophore against lymphatic_system_cancer pathway. dihomo-gamma-linolenic_acid atherosclerosis GAP_LOW 0.1324 0.0 fenoprofen Low-priority: Computational docking dihomo-gamma-linolenic_acid vs atherosclerosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against atherosclerosis pathway. dihomo-gamma-linolenic_acid lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs lymphatic_system_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against lymphatic_system_cancer pathway. lubiprostone atherosclerosis GAP_LOW 0.1324 0.0 fenoprofen Low-priority: Computational docking lubiprostone vs atherosclerosis targets. Cross-check lubiprostone pharmacophore against atherosclerosis pathway. lubiprostone lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking lubiprostone vs lymphatic_system_cancer targets. Cross-check lubiprostone pharmacophore against lymphatic_system_cancer pathway. penicillamine lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking penicillamine vs lymphatic_system_cancer targets. Cross-check penicillamine pharmacophore against lymphatic_system_cancer pathway. sodium_tetradecyl_sulfate lymphatic_system_cancer GAP_LOW 0.1324 0.0 vinblastine Low-priority: Computational docking sodium_tetradecyl_sulfate vs lymphatic_system_cancer targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against lymphatic_system_cancer pathway. thioproperazine muscle_cancer GAP_HIGH 0.1323 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) toremifene pharynx_cancer GAP_HIGH 0.1323 0.5 methadone High-priority: Binding assay toremifene→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.50) phensuximide pancreatic_cancer GAP_HIGH 0.1323 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in pancreatic_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide ulcerative_colitis GAP_HIGH 0.1323 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in ulcerative_colitis cell model. Expected: similar to clomipramine (Jaccard=0.39) cinolazepam obesity GAP_HIGH 0.1323 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) anileridine malignant_mesothelioma GAP_HIGH 0.1323 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in malignant_mesothelioma cell model. Expected: similar to loperamide (Jaccard=0.26) ethylmorphine pancreatic_cancer GAP_HIGH 0.1323 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.25) phensuximide alcohol_dependence GAP_HIGH 0.1323 0.24193548387096775 mazindol High-priority: Binding assay phensuximide→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.24) fluspirilene meningioma GAP_HIGH 0.1323 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone malignant_mesothelioma GAP_HIGH 0.1323 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in malignant_mesothelioma cell model. Expected: similar to docetaxel (Jaccard=0.22) phenylephrine melanoma GAP_HIGH 0.1323 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.22) lidocaine atherosclerosis GAP_HIGH 0.1323 0.21428571428571427 clofibrate High-priority: Binding assay lidocaine→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.21) difenoxin focal_segmental_glomerulosclerosis GAP_HIGH 0.1323 0.20833333333333334 naftifine High-priority: Binding assay difenoxin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.21) dienestrol mediastinal_cancer GAP_HIGH 0.1323 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) dienestrol primary_biliary_cirrhosis GAP_HIGH 0.1323 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fulvestrant (Jaccard=0.20) dopamine coronary_artery_disease GAP_HIGH 0.1323 0.1875 methyldopa High-priority: Binding assay dopamine→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) adinazolam focal_segmental_glomerulosclerosis GAP_HIGH 0.1323 0.17391304347826086 clomipramine High-priority: Binding assay adinazolam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to clomipramine (Jaccard=0.17) choline autistic_disorder GAP_HIGH 0.1323 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in autistic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.17) choline nicotine_dependence GAP_HIGH 0.1323 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in nicotine_dependence cell model. Expected: similar to amphetamine (Jaccard=0.17) mitiglinide leprosy GAP_HIGH 0.1323 0.16666666666666666 phenmetrazine High-priority: Binding assay mitiglinide→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.17) metolazone celiac_disease GAP_LOW 0.1323 0.14285714285714285 dapsone Low-priority: Computational docking metolazone vs celiac_disease targets. Cross-check metolazone pharmacophore against celiac_disease pathway. pemetrexed acquired_immunodeficiency_syndrome GAP_LOW 0.1323 0.14285714285714285 floxuridine Low-priority: Computational docking pemetrexed vs acquired_immunodeficiency_syndrome targets. Cross-check pemetrexed pharmacophore against acquired_immunodeficiency_syndrome pathway. streptozocin breast_cancer GAP_LOW 0.1323 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs breast_cancer targets. Cross-check streptozocin pharmacophore against breast_cancer pathway. sulfanilamide acquired_immunodeficiency_syndrome GAP_LOW 0.1323 0.14285714285714285 mitiglinide Low-priority: Computational docking sulfanilamide vs acquired_immunodeficiency_syndrome targets. Cross-check sulfanilamide pharmacophore against acquired_immunodeficiency_syndrome pathway. tolazamide pharynx_cancer GAP_LOW 0.1323 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs pharynx_cancer targets. Cross-check tolazamide pharmacophore against pharynx_cancer pathway. quinethazone alcohol_dependence GAP_LOW 0.1323 0.125 mazindol Low-priority: Computational docking quinethazone vs alcohol_dependence targets. Cross-check quinethazone pharmacophore against alcohol_dependence pathway. treprostinil hematologic_cancer GAP_LOW 0.1323 0.125 orciprenaline Low-priority: Computational docking treprostinil vs hematologic_cancer targets. Cross-check treprostinil pharmacophore against hematologic_cancer pathway. triamterene gilles_de_la_tourette_syndrome GAP_LOW 0.1323 0.11538461538461539 modafinil Low-priority: Computational docking triamterene vs gilles_de_la_tourette_syndrome targets. Cross-check triamterene pharmacophore against gilles_de_la_tourette_syndrome pathway. olmesartan salivary_gland_cancer GAP_LOW 0.1323 0.1 aspartame Low-priority: Computational docking olmesartan vs salivary_gland_cancer targets. Cross-check olmesartan pharmacophore against salivary_gland_cancer pathway. lercanidipine glaucoma GAP_LOW 0.1323 0.09523809523809523 bevantolol Low-priority: Computational docking lercanidipine vs glaucoma targets. Cross-check lercanidipine pharmacophore against glaucoma pathway. eprosartan malignant_mesothelioma GAP_LOW 0.1323 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs malignant_mesothelioma targets. Cross-check eprosartan pharmacophore against malignant_mesothelioma pathway. pentobarbital sarcoma GAP_LOW 0.1323 0.09090909090909091 pantoprazole Low-priority: Computational docking pentobarbital vs sarcoma targets. Cross-check pentobarbital pharmacophore against sarcoma pathway. phenobarbital ocular_cancer GAP_LOW 0.1323 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs ocular_cancer targets. Cross-check phenobarbital pharmacophore against ocular_cancer pathway. estropipate gilles_de_la_tourette_syndrome GAP_LOW 0.1323 0.07692307692307693 clotrimazole Low-priority: Computational docking estropipate vs gilles_de_la_tourette_syndrome targets. Cross-check estropipate pharmacophore against gilles_de_la_tourette_syndrome pathway. irbesartan refractive_error GAP_LOW 0.1323 0.0625 masoprocol Low-priority: Computational docking irbesartan vs refractive_error targets. Cross-check irbesartan pharmacophore against refractive_error pathway. heptabarbital germ_cell_cancer GAP_LOW 0.1323 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking heptabarbital vs germ_cell_cancer targets. Cross-check heptabarbital pharmacophore against germ_cell_cancer pathway. tolbutamide leprosy GAP_LOW 0.1323 0.04 sulfapyridine Low-priority: Computational docking tolbutamide vs leprosy targets. Cross-check tolbutamide pharmacophore against leprosy pathway. clobazam hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking clobazam vs hypothyroidism targets. Cross-check clobazam pharmacophore against hypothyroidism pathway. ethynodiol hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking ethynodiol vs hypothyroidism targets. Cross-check ethynodiol pharmacophore against hypothyroidism pathway. fulvestrant hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking fulvestrant vs hypothyroidism targets. Cross-check fulvestrant pharmacophore against hypothyroidism pathway. mestranol hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking mestranol vs hypothyroidism targets. Cross-check mestranol pharmacophore against hypothyroidism pathway. propafenone hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking propafenone vs hypothyroidism targets. Cross-check propafenone pharmacophore against hypothyroidism pathway. suprofen hypothyroidism GAP_LOW 0.1323 0.0 methimazole Low-priority: Computational docking suprofen vs hypothyroidism targets. Cross-check suprofen pharmacophore against hypothyroidism pathway. toremifene ankylosing_spondylitis GAP_HIGH 0.1322 0.5 dimetacrine High-priority: Binding assay toremifene→?; validate in ankylosing_spondylitis cell model. Expected: similar to dimetacrine (Jaccard=0.50) promazine prostate_cancer GAP_HIGH 0.1322 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in prostate_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) trifluoperazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1322 0.4666666666666667 zuclopenthixol High-priority: Binding assay trifluoperazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zuclopenthixol (Jaccard=0.47) phensuximide psoriasis GAP_HIGH 0.1322 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in psoriasis cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide uterine_cancer GAP_HIGH 0.1322 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in uterine_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) fludiazepam prostate_cancer GAP_HIGH 0.1322 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) ramipril multiple_sclerosis GAP_HIGH 0.1322 0.3 moexipril High-priority: Binding assay ramipril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.30) sulfapyridine amyotrophic_lateral_sclerosis GAP_HIGH 0.1322 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine parkinsons_disease GAP_HIGH 0.1322 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in parkinsons_disease cell model. Expected: similar to olsalazine (Jaccard=0.29) diethylpropion testicular_cancer GAP_HIGH 0.1322 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in testicular_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) diethylpropion vaginal_cancer GAP_HIGH 0.1322 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in vaginal_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) diethylpropion vulva_cancer GAP_HIGH 0.1322 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) tranylcypromine primary_biliary_cirrhosis GAP_HIGH 0.1322 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) telmisartan pancreatic_cancer GAP_HIGH 0.1322 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in pancreatic_cancer cell model. Expected: similar to tolbutamide (Jaccard=0.25) droperidol melanoma GAP_HIGH 0.1322 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in melanoma cell model. Expected: similar to loperamide (Jaccard=0.24) alprazolam muscle_cancer GAP_HIGH 0.1322 0.23255813953488372 phensuximide High-priority: Binding assay alprazolam→?; validate in muscle_cancer cell model. Expected: similar to phensuximide (Jaccard=0.23) desogestrel pancreatitis GAP_HIGH 0.1322 0.22727272727272727 hydrocortisone High-priority: Binding assay desogestrel→?; validate in pancreatitis cell model. Expected: similar to hydrocortisone (Jaccard=0.23) cladribine penile_cancer GAP_HIGH 0.1322 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) conjugated_estrogens mediastinal_cancer GAP_HIGH 0.1322 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.22) dienestrol gout GAP_HIGH 0.1322 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in gout cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol thymus_cancer GAP_HIGH 0.1322 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) anisindione gilles_de_la_tourette_syndrome GAP_LOW 0.1322 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs gilles_de_la_tourette_syndrome targets. Cross-check anisindione pharmacophore against gilles_de_la_tourette_syndrome pathway. vorinostat coronary_artery_disease GAP_LOW 0.1322 0.14285714285714285 anisindione Low-priority: Computational docking vorinostat vs coronary_artery_disease targets. Cross-check vorinostat pharmacophore against coronary_artery_disease pathway. amlodipine sclerosing_cholangitis GAP_LOW 0.1322 0.13043478260869565 diphenylpyraline Low-priority: Computational docking amlodipine vs sclerosing_cholangitis targets. Cross-check amlodipine pharmacophore against sclerosing_cholangitis pathway. glutethimide pharynx_cancer GAP_LOW 0.1322 0.10256410256410256 diphenylpyraline Low-priority: Computational docking glutethimide vs pharynx_cancer targets. Cross-check glutethimide pharmacophore against pharynx_cancer pathway. olmesartan muscle_cancer GAP_LOW 0.1322 0.1 aspartame Low-priority: Computational docking olmesartan vs muscle_cancer targets. Cross-check olmesartan pharmacophore against muscle_cancer pathway. travoprost head_and_neck_cancer GAP_LOW 0.1322 0.1 prednicarbate Low-priority: Computational docking travoprost vs head_and_neck_cancer targets. Cross-check travoprost pharmacophore against head_and_neck_cancer pathway. travoprost malignant_glioma GAP_LOW 0.1322 0.1 prednicarbate Low-priority: Computational docking travoprost vs malignant_glioma targets. Cross-check travoprost pharmacophore against malignant_glioma pathway. tolazamide lymphatic_system_cancer GAP_LOW 0.1322 0.09090909090909091 aciclovir Low-priority: Computational docking tolazamide vs lymphatic_system_cancer targets. Cross-check tolazamide pharmacophore against lymphatic_system_cancer pathway. trimethoprim coronary_artery_disease GAP_LOW 0.1322 0.09090909090909091 naloxone Low-priority: Computational docking trimethoprim vs coronary_artery_disease targets. Cross-check trimethoprim pharmacophore against coronary_artery_disease pathway. glimepiride mediastinal_cancer GAP_LOW 0.1322 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs mediastinal_cancer targets. Cross-check glimepiride pharmacophore against mediastinal_cancer pathway. zolmitriptan brain_cancer GAP_LOW 0.1322 0.0625 cyproterone_acetate Low-priority: Computational docking zolmitriptan vs brain_cancer targets. Cross-check zolmitriptan pharmacophore against brain_cancer pathway. zolmitriptan intracranial_aneurysm GAP_LOW 0.1322 0.0625 prednicarbate Low-priority: Computational docking zolmitriptan vs intracranial_aneurysm targets. Cross-check zolmitriptan pharmacophore against intracranial_aneurysm pathway. riboflavin refractive_error GAP_LOW 0.1322 0.037037037037037035 propranolol Low-priority: Computational docking riboflavin vs refractive_error targets. Cross-check riboflavin pharmacophore against refractive_error pathway. l-cystine panic_disorder GAP_LOW 0.1322 0.024390243902439025 l-histidine Low-priority: Computational docking l-cystine vs panic_disorder targets. Cross-check l-cystine pharmacophore against panic_disorder pathway. l-cystine schizophrenia GAP_LOW 0.1322 0.024390243902439025 l-histidine Low-priority: Computational docking l-cystine vs schizophrenia targets. Cross-check l-cystine pharmacophore against schizophrenia pathway. mitiglinide ocular_cancer GAP_HIGH 0.1321 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in ocular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) trandolapril multiple_sclerosis GAP_HIGH 0.1321 0.3 moexipril High-priority: Binding assay trandolapril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.30) diethylpropion vascular_cancer GAP_HIGH 0.1321 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in vascular_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.29) drostanolone intracranial_aneurysm GAP_HIGH 0.1321 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in intracranial_aneurysm cell model. Expected: similar to progesterone (Jaccard=0.26) ponatinib vitiligo GAP_HIGH 0.1321 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in vitiligo cell model. Expected: similar to sunitinib (Jaccard=0.25) telmisartan osteoporosis GAP_HIGH 0.1321 0.25 tolbutamide High-priority: Binding assay telmisartan→?; validate in osteoporosis cell model. Expected: similar to tolbutamide (Jaccard=0.25) tamsulosin systemic_scleroderma GAP_HIGH 0.1321 0.24390243902439024 fenoprofen High-priority: Binding assay tamsulosin→?; validate in systemic_scleroderma cell model. Expected: similar to fenoprofen (Jaccard=0.24) methdilazine leprosy GAP_HIGH 0.1321 0.2391304347826087 phensuximide High-priority: Binding assay methdilazine→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.24) droperidol duodenum_cancer GAP_HIGH 0.1321 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in duodenum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol gallbladder_cancer GAP_HIGH 0.1321 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in gallbladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) l-phenylalanine celiac_disease GAP_HIGH 0.1321 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.23) conjugated_estrogens primary_biliary_cirrhosis GAP_HIGH 0.1321 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fulvestrant (Jaccard=0.22) dobutamine melanoma GAP_HIGH 0.1321 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in melanoma cell model. Expected: similar to mesalazine (Jaccard=0.22) dienestrol malignant_glioma GAP_HIGH 0.1321 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in malignant_glioma cell model. Expected: similar to estrone (Jaccard=0.18) l-cysteine systemic_lupus_erythematosus GAP_HIGH 0.1321 0.18 penicillamine High-priority: Binding assay l-cysteine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.18) ketoprofen leprosy GAP_HIGH 0.1321 0.15384615384615385 pomalidomide High-priority: Binding assay ketoprofen→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.15) methocarbamol systemic_scleroderma GAP_HIGH 0.1321 0.15384615384615385 milnacipran High-priority: Binding assay methocarbamol→?; validate in systemic_scleroderma cell model. Expected: similar to milnacipran (Jaccard=0.15) pemetrexed alcohol_dependence GAP_LOW 0.1321 0.125 naloxone Low-priority: Computational docking pemetrexed vs alcohol_dependence targets. Cross-check pemetrexed pharmacophore against alcohol_dependence pathway. ritodrine acquired_immunodeficiency_syndrome GAP_LOW 0.1321 0.125 nateglinide Low-priority: Computational docking ritodrine vs acquired_immunodeficiency_syndrome targets. Cross-check ritodrine pharmacophore against acquired_immunodeficiency_syndrome pathway. glipizide epilepsy_syndrome GAP_LOW 0.1321 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs epilepsy_syndrome targets. Cross-check glipizide pharmacophore against epilepsy_syndrome pathway. l-ornithine atopic_dermatitis GAP_LOW 0.1321 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs atopic_dermatitis targets. Cross-check l-ornithine pharmacophore against atopic_dermatitis pathway. tolazamide esophageal_cancer GAP_LOW 0.1321 0.1111111111111111 melphalan Low-priority: Computational docking tolazamide vs esophageal_cancer targets. Cross-check tolazamide pharmacophore against esophageal_cancer pathway. papaverine refractive_error GAP_LOW 0.1321 0.1 sotalol Low-priority: Computational docking papaverine vs refractive_error targets. Cross-check papaverine pharmacophore against refractive_error pathway. amlodipine glaucoma GAP_LOW 0.1321 0.09523809523809523 bevantolol Low-priority: Computational docking amlodipine vs glaucoma targets. Cross-check amlodipine pharmacophore against glaucoma pathway. carvedilol glaucoma GAP_LOW 0.1321 0.08695652173913043 pseudoephedrine Low-priority: Computational docking carvedilol vs glaucoma targets. Cross-check carvedilol pharmacophore against glaucoma pathway. tauroursodeoxycholic_acid pancreatitis GAP_LOW 0.1321 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs pancreatitis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against pancreatitis pathway. aminolevulinic_acid prostate_cancer GAP_LOW 0.1321 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs prostate_cancer targets. Cross-check aminolevulinic_acid pharmacophore against prostate_cancer pathway. butabarbital type_1_diabetes_mellitus GAP_LOW 0.1321 0.041666666666666664 exemestane Low-priority: Computational docking butabarbital vs type_1_diabetes_mellitus targets. Cross-check butabarbital pharmacophore against type_1_diabetes_mellitus pathway. irbesartan hepatitis_b GAP_LOW 0.1321 0.04 glucosamine Low-priority: Computational docking irbesartan vs hepatitis_b targets. Cross-check irbesartan pharmacophore against hepatitis_b pathway. isradipine alcohol_dependence GAP_LOW 0.1321 0.025 mazindol Low-priority: Computational docking isradipine vs alcohol_dependence targets. Cross-check isradipine pharmacophore against alcohol_dependence pathway. promazine mediastinal_cancer GAP_HIGH 0.132 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in mediastinal_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) trifluoperazine sclerosing_cholangitis GAP_HIGH 0.132 0.46153846153846156 temazepam High-priority: Binding assay trifluoperazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.46) chlordiazepoxide crohns_disease GAP_HIGH 0.132 0.38461538461538464 azelastine High-priority: Binding assay chlordiazepoxide→?; validate in crohns_disease cell model. Expected: similar to azelastine (Jaccard=0.38) propiomazine systemic_scleroderma GAP_HIGH 0.132 0.375 promethazine High-priority: Binding assay propiomazine→?; validate in systemic_scleroderma cell model. Expected: similar to promethazine (Jaccard=0.38) clonidine asthma GAP_HIGH 0.132 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in asthma cell model. Expected: similar to salsalate (Jaccard=0.35) clonidine breast_cancer GAP_HIGH 0.132 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in breast_cancer cell model. Expected: similar to salsalate (Jaccard=0.35) aprindine lung_cancer GAP_HIGH 0.132 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) aprindine rectum_cancer GAP_HIGH 0.132 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) crizotinib psoriatic_arthritis GAP_HIGH 0.132 0.3333333333333333 captopril High-priority: Binding assay crizotinib→?; validate in psoriatic_arthritis cell model. Expected: similar to captopril (Jaccard=0.33) diclofenac duodenum_cancer GAP_HIGH 0.132 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac gallbladder_cancer GAP_HIGH 0.132 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) cyclizine esophageal_cancer GAP_HIGH 0.132 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) ketorolac colon_cancer GAP_HIGH 0.132 0.3076923076923077 suprofen High-priority: Binding assay ketorolac→?; validate in colon_cancer cell model. Expected: similar to suprofen (Jaccard=0.31) floxuridine polycystic_ovary_syndrome GAP_HIGH 0.132 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gemcitabine (Jaccard=0.27) floxuridine type_2_diabetes_mellitus GAP_HIGH 0.132 0.26666666666666666 gemcitabine High-priority: Binding assay floxuridine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.27) atropine alopecia_areata GAP_HIGH 0.132 0.25 alclometasone High-priority: Binding assay atropine→?; validate in alopecia_areata cell model. Expected: similar to alclometasone (Jaccard=0.25) phenformin gout GAP_HIGH 0.132 0.25 acetaminophen High-priority: Binding assay phenformin→?; validate in gout cell model. Expected: similar to acetaminophen (Jaccard=0.25) pomalidomide sclerosing_cholangitis GAP_HIGH 0.132 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) cinchocaine amyotrophic_lateral_sclerosis GAP_HIGH 0.132 0.23809523809523808 tranylcypromine High-priority: Binding assay cinchocaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.24) nandrolone_phenpropionate restless_legs_syndrome GAP_HIGH 0.132 0.23529411764705882 testosterone_propionate High-priority: Binding assay nandrolone_phenpropionate→?; validate in restless_legs_syndrome cell model. Expected: similar to testosterone_propionate (Jaccard=0.24) dapsone hypertension GAP_HIGH 0.132 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in hypertension cell model. Expected: similar to polythiazide (Jaccard=0.23) conjugated_estrogens thymus_cancer GAP_HIGH 0.132 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.22) dienestrol hematologic_cancer GAP_HIGH 0.132 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in hematologic_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) melatonin hematologic_cancer GAP_HIGH 0.132 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in hematologic_cancer cell model. Expected: similar to nefazodone (Jaccard=0.20) dienestrol kidney_cancer GAP_HIGH 0.132 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in kidney_cancer cell model. Expected: similar to estrone (Jaccard=0.18) anisindione pancreatitis GAP_HIGH 0.132 0.16666666666666666 phenindamine High-priority: Binding assay anisindione→?; validate in pancreatitis cell model. Expected: similar to phenindamine (Jaccard=0.17) streptozocin ovarian_cancer GAP_LOW 0.132 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs ovarian_cancer targets. Cross-check streptozocin pharmacophore against ovarian_cancer pathway. tolazamide thyroid_cancer GAP_LOW 0.132 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs thyroid_cancer targets. Cross-check tolazamide pharmacophore against thyroid_cancer pathway. allylestrenol alcohol_dependence GAP_LOW 0.132 0.125 levorphanol Low-priority: Computational docking allylestrenol vs alcohol_dependence targets. Cross-check allylestrenol pharmacophore against alcohol_dependence pathway. travoprost polycystic_ovary_syndrome GAP_LOW 0.132 0.125 treprostinil Low-priority: Computational docking travoprost vs polycystic_ovary_syndrome targets. Cross-check travoprost pharmacophore against polycystic_ovary_syndrome pathway. travoprost type_2_diabetes_mellitus GAP_LOW 0.132 0.125 treprostinil Low-priority: Computational docking travoprost vs type_2_diabetes_mellitus targets. Cross-check travoprost pharmacophore against type_2_diabetes_mellitus pathway. zolpidem atherosclerosis GAP_LOW 0.132 0.125 salicylate-sodium Low-priority: Computational docking zolpidem vs atherosclerosis targets. Cross-check zolpidem pharmacophore against atherosclerosis pathway. captopril gout GAP_LOW 0.132 0.11764705882352941 gliclazide Low-priority: Computational docking captopril vs gout targets. Cross-check captopril pharmacophore against gout pathway. eprosartan melanoma GAP_LOW 0.132 0.1 procaine Low-priority: Computational docking eprosartan vs melanoma targets. Cross-check eprosartan pharmacophore against melanoma pathway. olmesartan ocular_cancer GAP_LOW 0.132 0.1 aspartame Low-priority: Computational docking olmesartan vs ocular_cancer targets. Cross-check olmesartan pharmacophore against ocular_cancer pathway. valsartan pharynx_cancer GAP_LOW 0.132 0.1 aspartame Low-priority: Computational docking valsartan vs pharynx_cancer targets. Cross-check valsartan pharmacophore against pharynx_cancer pathway. phenobarbital peripheral_nervous_system_neoplasm GAP_LOW 0.132 0.09090909090909091 phenylbutazone Low-priority: Computational docking phenobarbital vs peripheral_nervous_system_neoplasm targets. Cross-check phenobarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. calcium_acetate sclerosing_cholangitis GAP_LOW 0.132 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs sclerosing_cholangitis targets. Cross-check calcium_acetate pharmacophore against sclerosing_cholangitis pathway. captopril alopecia_areata GAP_LOW 0.132 0.07692307692307693 dexamethasone Low-priority: Computational docking captopril vs alopecia_areata targets. Cross-check captopril pharmacophore against alopecia_areata pathway. estriol chronic_kidney_failure GAP_LOW 0.132 0.07692307692307693 clotrimazole Low-priority: Computational docking estriol vs chronic_kidney_failure targets. Cross-check estriol pharmacophore against chronic_kidney_failure pathway. glimepiride thymus_cancer GAP_LOW 0.132 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs thymus_cancer targets. Cross-check glimepiride pharmacophore against thymus_cancer pathway. riboflavin thyroid_cancer GAP_LOW 0.132 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs thyroid_cancer targets. Cross-check riboflavin pharmacophore against thyroid_cancer pathway. butabarbital malignant_glioma GAP_LOW 0.132 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs malignant_glioma targets. Cross-check butabarbital pharmacophore against malignant_glioma pathway. promazine thymus_cancer GAP_HIGH 0.1319 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in thymus_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) nateglinide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1319 0.43478260869565216 bethanidine High-priority: Binding assay nateglinide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to bethanidine (Jaccard=0.43) chlorprothixene prostate_cancer GAP_HIGH 0.1319 0.4230769230769231 azelastine High-priority: Binding assay chlorprothixene→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.42) clonidine allergic_rhinitis GAP_HIGH 0.1319 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in allergic_rhinitis cell model. Expected: similar to salsalate (Jaccard=0.35) clonidine atopic_dermatitis GAP_HIGH 0.1319 0.35294117647058826 salsalate High-priority: Binding assay clonidine→?; validate in atopic_dermatitis cell model. Expected: similar to salsalate (Jaccard=0.35) brompheniramine malignant_mesothelioma GAP_HIGH 0.1319 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.33) azatadine esophageal_cancer GAP_HIGH 0.1319 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in esophageal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) sulfapyridine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1319 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to olsalazine (Jaccard=0.29) enalapril hypertension GAP_HIGH 0.1319 0.2727272727272727 cilazapril High-priority: Binding assay enalapril→?; validate in hypertension cell model. Expected: similar to cilazapril (Jaccard=0.27) sulfadiazine alzheimers_disease GAP_HIGH 0.1319 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in alzheimers_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) danazol malignant_mesothelioma GAP_HIGH 0.1319 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in malignant_mesothelioma cell model. Expected: similar to paclitaxel (Jaccard=0.25) pomalidomide creutzfeldt-jakob_disease GAP_HIGH 0.1319 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) ponatinib rheumatoid_arthritis GAP_HIGH 0.1319 0.25 sunitinib High-priority: Binding assay ponatinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to sunitinib (Jaccard=0.25) bepotastine duodenum_cancer GAP_HIGH 0.1319 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in duodenum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine gallbladder_cancer GAP_HIGH 0.1319 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in gallbladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine melanoma GAP_HIGH 0.1319 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in melanoma cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine malignant_mesothelioma GAP_HIGH 0.1319 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.22) phenylephrine sclerosing_cholangitis GAP_HIGH 0.1319 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.22) disopyramide penile_cancer GAP_HIGH 0.1319 0.2 phenylbutazone High-priority: Binding assay disopyramide→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.20) dienestrol nephrolithiasis GAP_HIGH 0.1319 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in nephrolithiasis cell model. Expected: similar to estrone (Jaccard=0.18) dienestrol refractive_error GAP_HIGH 0.1319 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in refractive_error cell model. Expected: similar to mesalazine (Jaccard=0.18) methyclothiazide narcolepsy GAP_HIGH 0.1319 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in narcolepsy cell model. Expected: similar to ritodrine (Jaccard=0.18) hydrochlorothiazide membranous_glomerulonephritis GAP_LOW 0.1319 0.15 tamsulosin Low-priority: Computational docking hydrochlorothiazide vs membranous_glomerulonephritis targets. Cross-check hydrochlorothiazide pharmacophore against membranous_glomerulonephritis pathway. carvedilol breast_cancer GAP_LOW 0.1319 0.13333333333333333 afatinib Low-priority: Computational docking carvedilol vs breast_cancer targets. Cross-check carvedilol pharmacophore against breast_cancer pathway. isradipine creutzfeldt-jakob_disease GAP_LOW 0.1319 0.125 flunarizine Low-priority: Computational docking isradipine vs creutzfeldt-jakob_disease targets. Cross-check isradipine pharmacophore against creutzfeldt-jakob_disease pathway. l-ornithine psoriasis GAP_LOW 0.1319 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs psoriasis targets. Cross-check l-ornithine pharmacophore against psoriasis pathway. l-ornithine ulcerative_colitis GAP_LOW 0.1319 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs ulcerative_colitis targets. Cross-check l-ornithine pharmacophore against ulcerative_colitis pathway. lercanidipine celiac_disease GAP_LOW 0.1319 0.1 fentanyl Low-priority: Computational docking lercanidipine vs celiac_disease targets. Cross-check lercanidipine pharmacophore against celiac_disease pathway. valsartan primary_biliary_cirrhosis GAP_LOW 0.1319 0.09090909090909091 alvimopan Low-priority: Computational docking valsartan vs primary_biliary_cirrhosis targets. Cross-check valsartan pharmacophore against primary_biliary_cirrhosis pathway. butabarbital primary_biliary_cirrhosis GAP_LOW 0.1319 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs primary_biliary_cirrhosis targets. Cross-check butabarbital pharmacophore against primary_biliary_cirrhosis pathway. aminolevulinic_acid gout GAP_LOW 0.1319 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs gout targets. Cross-check aminolevulinic_acid pharmacophore against gout pathway. aminolevulinic_acid primary_biliary_cirrhosis GAP_LOW 0.1319 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs primary_biliary_cirrhosis targets. Cross-check aminolevulinic_acid pharmacophore against primary_biliary_cirrhosis pathway. aminolevulinic_acid penile_cancer GAP_LOW 0.1319 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs penile_cancer targets. Cross-check aminolevulinic_acid pharmacophore against penile_cancer pathway. acetylcysteine azoospermia GAP_LOW 0.1319 0.03571428571428571 phenylpropanolamine Low-priority: Computational docking acetylcysteine vs azoospermia targets. Cross-check acetylcysteine pharmacophore against azoospermia pathway. amiloride alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking amiloride vs alcohol_dependence targets. Cross-check amiloride pharmacophore against alcohol_dependence pathway. benazepril alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking benazepril vs alcohol_dependence targets. Cross-check benazepril pharmacophore against alcohol_dependence pathway. candesartan alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking candesartan vs alcohol_dependence targets. Cross-check candesartan pharmacophore against alcohol_dependence pathway. cilazapril alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking cilazapril vs alcohol_dependence targets. Cross-check cilazapril pharmacophore against alcohol_dependence pathway. flutamide alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking flutamide vs alcohol_dependence targets. Cross-check flutamide pharmacophore against alcohol_dependence pathway. glimepiride alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking glimepiride vs alcohol_dependence targets. Cross-check glimepiride pharmacophore against alcohol_dependence pathway. glipizide alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking glipizide vs alcohol_dependence targets. Cross-check glipizide pharmacophore against alcohol_dependence pathway. labetalol alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking labetalol vs alcohol_dependence targets. Cross-check labetalol pharmacophore against alcohol_dependence pathway. mannitol alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking mannitol vs alcohol_dependence targets. Cross-check mannitol pharmacophore against alcohol_dependence pathway. nicardipine alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking nicardipine vs alcohol_dependence targets. Cross-check nicardipine pharmacophore against alcohol_dependence pathway. nilvadipine alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking nilvadipine vs alcohol_dependence targets. Cross-check nilvadipine pharmacophore against alcohol_dependence pathway. olmesartan alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking olmesartan vs alcohol_dependence targets. Cross-check olmesartan pharmacophore against alcohol_dependence pathway. pravastatin alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking pravastatin vs alcohol_dependence targets. Cross-check pravastatin pharmacophore against alcohol_dependence pathway. quinapril alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking quinapril vs alcohol_dependence targets. Cross-check quinapril pharmacophore against alcohol_dependence pathway. ranolazine alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking ranolazine vs alcohol_dependence targets. Cross-check ranolazine pharmacophore against alcohol_dependence pathway. solifenacin alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking solifenacin vs alcohol_dependence targets. Cross-check solifenacin pharmacophore against alcohol_dependence pathway. spirapril alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking spirapril vs alcohol_dependence targets. Cross-check spirapril pharmacophore against alcohol_dependence pathway. tauroursodeoxycholic_acid alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking tauroursodeoxycholic_acid vs alcohol_dependence targets. Cross-check tauroursodeoxycholic_acid pharmacophore against alcohol_dependence pathway. vitamin_c alcohol_dependence GAP_LOW 0.1319 0.0 midazolam Low-priority: Computational docking vitamin_c vs alcohol_dependence targets. Cross-check vitamin_c pharmacophore against alcohol_dependence pathway. thioproperazine urinary_bladder_cancer GAP_HIGH 0.1318 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) phensuximide metabolic_syndrome_x GAP_HIGH 0.1318 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in metabolic_syndrome_x cell model. Expected: similar to clomipramine (Jaccard=0.39) aprindine liver_cancer GAP_HIGH 0.1318 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) aprindine parkinsons_disease GAP_HIGH 0.1318 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in parkinsons_disease cell model. Expected: similar to desipramine (Jaccard=0.33) fludiazepam azoospermia GAP_HIGH 0.1318 0.3333333333333333 trifluoperazine High-priority: Binding assay fludiazepam→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.33) mitiglinide peripheral_nervous_system_neoplasm GAP_HIGH 0.1318 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to nateglinide (Jaccard=0.33) mitiglinide urinary_bladder_cancer GAP_HIGH 0.1318 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in urinary_bladder_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) bromodiphenhydramine germ_cell_cancer GAP_HIGH 0.1318 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) tolmetin alzheimers_disease GAP_HIGH 0.1318 0.3 naproxen High-priority: Binding assay tolmetin→?; validate in alzheimers_disease cell model. Expected: similar to naproxen (Jaccard=0.30) diethylpropion uterine_fibroid GAP_HIGH 0.1318 0.2857142857142857 mitiglinide High-priority: Binding assay diethylpropion→?; validate in uterine_fibroid cell model. Expected: similar to mitiglinide (Jaccard=0.29) epirubicin testicular_cancer GAP_HIGH 0.1318 0.2857142857142857 podofilox High-priority: Binding assay epirubicin→?; validate in testicular_cancer cell model. Expected: similar to podofilox (Jaccard=0.29) phenoxybenzamine membranous_glomerulonephritis GAP_HIGH 0.1318 0.2857142857142857 promethazine High-priority: Binding assay phenoxybenzamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.29) thalidomide rheumatoid_arthritis GAP_HIGH 0.1318 0.2727272727272727 pseudoephedrine High-priority: Binding assay thalidomide→?; validate in rheumatoid_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.27) sulfadiazine autistic_disorder GAP_HIGH 0.1318 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) sulfadiazine nicotine_dependence GAP_HIGH 0.1318 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) droperidol sclerosing_cholangitis GAP_HIGH 0.1318 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in sclerosing_cholangitis cell model. Expected: similar to loperamide (Jaccard=0.24) medroxyprogesterone_acetate esophageal_cancer GAP_HIGH 0.1318 0.2222222222222222 dexamethasone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in esophageal_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.22) benzocaine pharynx_cancer GAP_HIGH 0.1318 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in pharynx_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) levomilnacipran esophageal_cancer GAP_HIGH 0.1318 0.2 tamoxifen High-priority: Binding assay levomilnacipran→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) choline conduct_disorder GAP_HIGH 0.1318 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in conduct_disorder cell model. Expected: similar to amphetamine (Jaccard=0.17) choline panic_disorder GAP_HIGH 0.1318 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in panic_disorder cell model. Expected: similar to amphetamine (Jaccard=0.17) choline schizophrenia GAP_HIGH 0.1318 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in schizophrenia cell model. Expected: similar to amphetamine (Jaccard=0.17) melatonin type_1_diabetes_mellitus GAP_HIGH 0.1318 0.16666666666666666 atropine High-priority: Binding assay melatonin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to atropine (Jaccard=0.17) methocarbamol gout GAP_LOW 0.1318 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs gout targets. Cross-check methocarbamol pharmacophore against gout pathway. methocarbamol primary_biliary_cirrhosis GAP_LOW 0.1318 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs primary_biliary_cirrhosis targets. Cross-check methocarbamol pharmacophore against primary_biliary_cirrhosis pathway. ranolazine vulva_cancer GAP_LOW 0.1318 0.11764705882352941 mitiglinide Low-priority: Computational docking ranolazine vs vulva_cancer targets. Cross-check ranolazine pharmacophore against vulva_cancer pathway. candesartan systemic_scleroderma GAP_LOW 0.1318 0.1111111111111111 streptozocin Low-priority: Computational docking candesartan vs systemic_scleroderma targets. Cross-check candesartan pharmacophore against systemic_scleroderma pathway. carvedilol crohns_disease GAP_LOW 0.1318 0.1111111111111111 sorafenib Low-priority: Computational docking carvedilol vs crohns_disease targets. Cross-check carvedilol pharmacophore against crohns_disease pathway. ibuprofen creutzfeldt-jakob_disease GAP_LOW 0.1318 0.1111111111111111 isocarboxazid Low-priority: Computational docking ibuprofen vs creutzfeldt-jakob_disease targets. Cross-check ibuprofen pharmacophore against creutzfeldt-jakob_disease pathway. l-ornithine multiple_sclerosis GAP_LOW 0.1318 0.1111111111111111 phenylpropanolamine Low-priority: Computational docking l-ornithine vs multiple_sclerosis targets. Cross-check l-ornithine pharmacophore against multiple_sclerosis pathway. carvedilol azoospermia GAP_LOW 0.1318 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs azoospermia targets. Cross-check carvedilol pharmacophore against azoospermia pathway. nicardipine duodenum_cancer GAP_LOW 0.1318 0.1 naftifine Low-priority: Computational docking nicardipine vs duodenum_cancer targets. Cross-check nicardipine pharmacophore against duodenum_cancer pathway. nicardipine gallbladder_cancer GAP_LOW 0.1318 0.1 naftifine Low-priority: Computational docking nicardipine vs gallbladder_cancer targets. Cross-check nicardipine pharmacophore against gallbladder_cancer pathway. olmesartan autistic_disorder GAP_LOW 0.1318 0.1 aspartame Low-priority: Computational docking olmesartan vs autistic_disorder targets. Cross-check olmesartan pharmacophore against autistic_disorder pathway. olmesartan nicotine_dependence GAP_LOW 0.1318 0.1 aspartame Low-priority: Computational docking olmesartan vs nicotine_dependence targets. Cross-check olmesartan pharmacophore against nicotine_dependence pathway. ponatinib alcohol_dependence GAP_LOW 0.1318 0.1 naloxone Low-priority: Computational docking ponatinib vs alcohol_dependence targets. Cross-check ponatinib pharmacophore against alcohol_dependence pathway. carvedilol head_and_neck_cancer GAP_LOW 0.1318 0.09090909090909091 dexamethasone Low-priority: Computational docking carvedilol vs head_and_neck_cancer targets. Cross-check carvedilol pharmacophore against head_and_neck_cancer pathway. zolmitriptan penile_cancer GAP_LOW 0.1318 0.07692307692307693 loperamide Low-priority: Computational docking zolmitriptan vs penile_cancer targets. Cross-check zolmitriptan pharmacophore against penile_cancer pathway. carboprost_tromethamine membranous_glomerulonephritis GAP_LOW 0.1318 0.07142857142857142 floctafenine Low-priority: Computational docking carboprost_tromethamine vs membranous_glomerulonephritis targets. Cross-check carboprost_tromethamine pharmacophore against membranous_glomerulonephritis pathway. tetracycline azoospermia GAP_LOW 0.1318 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs azoospermia targets. Cross-check tetracycline pharmacophore against azoospermia pathway. quazepam penile_cancer GAP_LOW 0.1318 0.05 phenylbutazone Low-priority: Computational docking quazepam vs penile_cancer targets. Cross-check quazepam pharmacophore against penile_cancer pathway. pravastatin atherosclerosis GAP_LOW 0.1318 0.04 phenacemide Low-priority: Computational docking pravastatin vs atherosclerosis targets. Cross-check pravastatin pharmacophore against atherosclerosis pathway. doxycycline alopecia_areata GAP_LOW 0.1318 0.0 hydrocortisone Low-priority: Computational docking doxycycline vs alopecia_areata targets. Cross-check doxycycline pharmacophore against alopecia_areata pathway. propofol alopecia_areata GAP_LOW 0.1318 0.0 hydrocortisone Low-priority: Computational docking propofol vs alopecia_areata targets. Cross-check propofol pharmacophore against alopecia_areata pathway. toremifene salivary_gland_cancer GAP_HIGH 0.1317 0.5 methadone High-priority: Binding assay toremifene→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.50) promazine hematologic_cancer GAP_HIGH 0.1317 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in hematologic_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) mefenamic_acid duodenum_cancer GAP_HIGH 0.1317 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) mefenamic_acid gallbladder_cancer GAP_HIGH 0.1317 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) mefenamic_acid melanoma GAP_HIGH 0.1317 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.37) fludiazepam hematologic_cancer GAP_HIGH 0.1317 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) aprindine amyotrophic_lateral_sclerosis GAP_HIGH 0.1317 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to desipramine (Jaccard=0.33) glucosamine lung_cancer GAP_HIGH 0.1317 0.32 cladribine High-priority: Binding assay glucosamine→?; validate in lung_cancer cell model. Expected: similar to cladribine (Jaccard=0.32) glucosamine rectum_cancer GAP_HIGH 0.1317 0.32 cladribine High-priority: Binding assay glucosamine→?; validate in rectum_cancer cell model. Expected: similar to cladribine (Jaccard=0.32) sulfapyridine panic_disorder GAP_HIGH 0.1317 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in panic_disorder cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine schizophrenia GAP_HIGH 0.1317 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in schizophrenia cell model. Expected: similar to olsalazine (Jaccard=0.29) cinolazepam type_2_diabetes_mellitus GAP_HIGH 0.1317 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) anileridine meningioma GAP_HIGH 0.1317 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.26) ethylmorphine skin_cancer GAP_HIGH 0.1317 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.25) ziprasidone vascular_cancer GAP_HIGH 0.1317 0.25 cholecalciferol High-priority: Binding assay ziprasidone→?; validate in vascular_cancer cell model. Expected: similar to cholecalciferol (Jaccard=0.25) dobutamine sclerosing_cholangitis GAP_HIGH 0.1317 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to mesalazine (Jaccard=0.22) naloxone meningioma GAP_HIGH 0.1317 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in meningioma cell model. Expected: similar to docetaxel (Jaccard=0.22) dienestrol celiac_disease GAP_HIGH 0.1317 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in celiac_disease cell model. Expected: similar to estrone (Jaccard=0.18) norepinephrine kidney_cancer GAP_HIGH 0.1317 0.16666666666666666 histamine_phosphate High-priority: Binding assay norepinephrine→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) methyclothiazide malaria GAP_LOW 0.1317 0.14285714285714285 sulfamethizole Low-priority: Computational docking methyclothiazide vs malaria targets. Cross-check methyclothiazide pharmacophore against malaria pathway. tolazamide salivary_gland_cancer GAP_LOW 0.1317 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs salivary_gland_cancer targets. Cross-check tolazamide pharmacophore against salivary_gland_cancer pathway. midodrine azoospermia GAP_LOW 0.1317 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs azoospermia targets. Cross-check midodrine pharmacophore against azoospermia pathway. amlodipine ankylosing_spondylitis GAP_LOW 0.1317 0.13043478260869565 diphenylpyraline Low-priority: Computational docking amlodipine vs ankylosing_spondylitis targets. Cross-check amlodipine pharmacophore against ankylosing_spondylitis pathway. chlorphenesin gestational_diabetes GAP_LOW 0.1317 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs gestational_diabetes targets. Cross-check chlorphenesin pharmacophore against gestational_diabetes pathway. glipizide muscle_cancer GAP_LOW 0.1317 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs muscle_cancer targets. Cross-check glipizide pharmacophore against muscle_cancer pathway. olmesartan peripheral_nervous_system_neoplasm GAP_LOW 0.1317 0.1 aspartame Low-priority: Computational docking olmesartan vs peripheral_nervous_system_neoplasm targets. Cross-check olmesartan pharmacophore against peripheral_nervous_system_neoplasm pathway. olmesartan urinary_bladder_cancer GAP_LOW 0.1317 0.1 aspartame Low-priority: Computational docking olmesartan vs urinary_bladder_cancer targets. Cross-check olmesartan pharmacophore against urinary_bladder_cancer pathway. eprosartan meningioma GAP_LOW 0.1317 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs meningioma targets. Cross-check eprosartan pharmacophore against meningioma pathway. olmesartan prostate_cancer GAP_LOW 0.1317 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs prostate_cancer targets. Cross-check olmesartan pharmacophore against prostate_cancer pathway. dinoprostone chronic_kidney_failure GAP_LOW 0.1317 0.08333333333333333 floctafenine Low-priority: Computational docking dinoprostone vs chronic_kidney_failure targets. Cross-check dinoprostone pharmacophore against chronic_kidney_failure pathway. glutethimide germ_cell_cancer GAP_LOW 0.1317 0.08 tamoxifen Low-priority: Computational docking glutethimide vs germ_cell_cancer targets. Cross-check glutethimide pharmacophore against germ_cell_cancer pathway. epoprostenol chronic_kidney_failure GAP_LOW 0.1317 0.07142857142857142 floctafenine Low-priority: Computational docking epoprostenol vs chronic_kidney_failure targets. Cross-check epoprostenol pharmacophore against chronic_kidney_failure pathway. pentobarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1317 0.06896551724137931 bezafibrate Low-priority: Computational docking pentobarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check pentobarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. tauroursodeoxycholic_acid alzheimers_disease GAP_LOW 0.1317 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs alzheimers_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against alzheimers_disease pathway. tauroursodeoxycholic_acid parkinsons_disease GAP_LOW 0.1317 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs parkinsons_disease targets. Cross-check tauroursodeoxycholic_acid pharmacophore against parkinsons_disease pathway. aminolevulinic_acid coronary_artery_disease GAP_LOW 0.1317 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs coronary_artery_disease targets. Cross-check aminolevulinic_acid pharmacophore against coronary_artery_disease pathway. acetylcysteine crohns_disease GAP_LOW 0.1317 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs crohns_disease targets. Cross-check acetylcysteine pharmacophore against crohns_disease pathway. nimodipine alcohol_dependence GAP_LOW 0.1317 0.025 mazindol Low-priority: Computational docking nimodipine vs alcohol_dependence targets. Cross-check nimodipine pharmacophore against alcohol_dependence pathway. acetylcysteine malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking acetylcysteine vs malaria targets. Cross-check acetylcysteine pharmacophore against malaria pathway. aprindine hypothyroidism GAP_LOW 0.1317 0.0 methimazole Low-priority: Computational docking aprindine vs hypothyroidism targets. Cross-check aprindine pharmacophore against hypothyroidism pathway. azelastine hypothyroidism GAP_LOW 0.1317 0.0 methimazole Low-priority: Computational docking azelastine vs hypothyroidism targets. Cross-check azelastine pharmacophore against hypothyroidism pathway. dextrothyroxine malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking dextrothyroxine vs malaria targets. Cross-check dextrothyroxine pharmacophore against malaria pathway. dihomo-gamma-linolenic_acid malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking dihomo-gamma-linolenic_acid vs malaria targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against malaria pathway. fludiazepam hypothyroidism GAP_LOW 0.1317 0.0 methimazole Low-priority: Computational docking fludiazepam vs hypothyroidism targets. Cross-check fludiazepam pharmacophore against hypothyroidism pathway. gefitinib hypothyroidism GAP_LOW 0.1317 0.0 methimazole Low-priority: Computational docking gefitinib vs hypothyroidism targets. Cross-check gefitinib pharmacophore against hypothyroidism pathway. lubiprostone malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking lubiprostone vs malaria targets. Cross-check lubiprostone pharmacophore against malaria pathway. methamphetamine hypothyroidism GAP_LOW 0.1317 0.0 methimazole Low-priority: Computational docking methamphetamine vs hypothyroidism targets. Cross-check methamphetamine pharmacophore against hypothyroidism pathway. penicillamine malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking penicillamine vs malaria targets. Cross-check penicillamine pharmacophore against malaria pathway. sodium_tetradecyl_sulfate malaria GAP_LOW 0.1317 0.0 ethotoin Low-priority: Computational docking sodium_tetradecyl_sulfate vs malaria targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against malaria pathway. methotrimeprazine crohns_disease GAP_HIGH 0.1316 0.4 pirenzepine High-priority: Binding assay methotrimeprazine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.40) testosterone_propionate pancreatitis GAP_HIGH 0.1316 0.391304347826087 fluoxymesterone High-priority: Binding assay testosterone_propionate→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.39) phensuximide testicular_cancer GAP_HIGH 0.1316 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in testicular_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide vaginal_cancer GAP_HIGH 0.1316 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in vaginal_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) phensuximide vulva_cancer GAP_HIGH 0.1316 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in vulva_cancer cell model. Expected: similar to clomipramine (Jaccard=0.39) chlordiazepoxide prostate_cancer GAP_HIGH 0.1316 0.38461538461538464 azelastine High-priority: Binding assay chlordiazepoxide→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) fludiazepam membranous_glomerulonephritis GAP_HIGH 0.1316 0.3333333333333333 trifluoperazine High-priority: Binding assay fludiazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.33) diclofenac creutzfeldt-jakob_disease GAP_HIGH 0.1316 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to clozapine (Jaccard=0.31) vismodegib azoospermia GAP_HIGH 0.1316 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) phenoxybenzamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1316 0.2962962962962963 diphenhydramine High-priority: Binding assay phenoxybenzamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.30) sulfapyridine asthma GAP_HIGH 0.1316 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine breast_cancer GAP_HIGH 0.1316 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in breast_cancer cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine conduct_disorder GAP_HIGH 0.1316 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in conduct_disorder cell model. Expected: similar to olsalazine (Jaccard=0.29) cinolazepam vitiligo GAP_HIGH 0.1316 0.2777777777777778 chlordiazepoxide High-priority: Binding assay cinolazepam→?; validate in vitiligo cell model. Expected: similar to chlordiazepoxide (Jaccard=0.28) bepotastine sclerosing_cholangitis GAP_HIGH 0.1316 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in sclerosing_cholangitis cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene prostate_cancer GAP_HIGH 0.1316 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in prostate_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) sulfanilamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1316 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.22) lidocaine malaria GAP_HIGH 0.1316 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.21) choline bipolar_disorder GAP_HIGH 0.1316 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in bipolar_disorder cell model. Expected: similar to amphetamine (Jaccard=0.17) ergocalciferol type_1_diabetes_mellitus GAP_HIGH 0.1316 0.16666666666666666 glyburide High-priority: Binding assay ergocalciferol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.17) glutethimide salivary_gland_cancer GAP_LOW 0.1316 0.10256410256410256 diphenylpyraline Low-priority: Computational docking glutethimide vs salivary_gland_cancer targets. Cross-check glutethimide pharmacophore against salivary_gland_cancer pathway. olmesartan attention_deficit_hyperactivity_disorder GAP_LOW 0.1316 0.1 aspartame Low-priority: Computational docking olmesartan vs attention_deficit_hyperactivity_disorder targets. Cross-check olmesartan pharmacophore against attention_deficit_hyperactivity_disorder pathway. calcium_acetate ankylosing_spondylitis GAP_LOW 0.1316 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs ankylosing_spondylitis targets. Cross-check calcium_acetate pharmacophore against ankylosing_spondylitis pathway. estriol type_1_diabetes_mellitus GAP_LOW 0.1316 0.06666666666666667 betamethasone Low-priority: Computational docking estriol vs type_1_diabetes_mellitus targets. Cross-check estriol pharmacophore against type_1_diabetes_mellitus pathway. tauroursodeoxycholic_acid amyotrophic_lateral_sclerosis GAP_LOW 0.1316 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs amyotrophic_lateral_sclerosis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against amyotrophic_lateral_sclerosis pathway. tauroursodeoxycholic_acid autistic_disorder GAP_LOW 0.1316 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs autistic_disorder targets. Cross-check tauroursodeoxycholic_acid pharmacophore against autistic_disorder pathway. tauroursodeoxycholic_acid nicotine_dependence GAP_LOW 0.1316 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs nicotine_dependence targets. Cross-check tauroursodeoxycholic_acid pharmacophore against nicotine_dependence pathway. pentobarbital germ_cell_cancer GAP_LOW 0.1316 0.058823529411764705 fluticasone_propionate Low-priority: Computational docking pentobarbital vs germ_cell_cancer targets. Cross-check pentobarbital pharmacophore against germ_cell_cancer pathway. aprobarbital germ_cell_cancer GAP_LOW 0.1316 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking aprobarbital vs germ_cell_cancer targets. Cross-check aprobarbital pharmacophore against germ_cell_cancer pathway. butethal germ_cell_cancer GAP_LOW 0.1316 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking butethal vs germ_cell_cancer targets. Cross-check butethal pharmacophore against germ_cell_cancer pathway. glutethimide larynx_cancer GAP_LOW 0.1316 0.047619047619047616 pantoprazole Low-priority: Computational docking glutethimide vs larynx_cancer targets. Cross-check glutethimide pharmacophore against larynx_cancer pathway. nitisinone hepatitis_b GAP_LOW 0.1316 0.029411764705882353 adenosine_triphosphate Low-priority: Computational docking nitisinone vs hepatitis_b targets. Cross-check nitisinone pharmacophore against hepatitis_b pathway. acetylcysteine nephrolithiasis GAP_LOW 0.1316 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs nephrolithiasis targets. Cross-check acetylcysteine pharmacophore against nephrolithiasis pathway. acetic_acid leprosy GAP_LOW 0.1316 0.0 sulfapyridine Low-priority: Computational docking acetic_acid vs leprosy targets. Cross-check acetic_acid pharmacophore against leprosy pathway. aminocaproic_acid leprosy GAP_LOW 0.1316 0.0 sulfapyridine Low-priority: Computational docking aminocaproic_acid vs leprosy targets. Cross-check aminocaproic_acid pharmacophore against leprosy pathway. quinestrol leprosy GAP_LOW 0.1316 0.0 sulfapyridine Low-priority: Computational docking quinestrol vs leprosy targets. Cross-check quinestrol pharmacophore against leprosy pathway. megestrol_acetate malignant_mesothelioma GAP_HIGH 0.1315 0.3333333333333333 betamethasone High-priority: Binding assay megestrol_acetate→?; validate in malignant_mesothelioma cell model. Expected: similar to betamethasone (Jaccard=0.33) chloroprocaine sclerosing_cholangitis GAP_HIGH 0.1315 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.31) sulfapyridine allergic_rhinitis GAP_HIGH 0.1315 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine bipolar_disorder GAP_HIGH 0.1315 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in bipolar_disorder cell model. Expected: similar to olsalazine (Jaccard=0.29) lidocaine mediastinal_cancer GAP_HIGH 0.1315 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in mediastinal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) lidocaine primary_biliary_cirrhosis GAP_HIGH 0.1315 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to lapatinib (Jaccard=0.27) terbutaline migraine GAP_HIGH 0.1315 0.26666666666666666 sotalol High-priority: Binding assay terbutaline→?; validate in migraine cell model. Expected: similar to sotalol (Jaccard=0.27) ethylmorphine testicular_cancer GAP_HIGH 0.1315 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.25) phenindamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1315 0.25 thioridazine High-priority: Binding assay phenindamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to thioridazine (Jaccard=0.25) pomalidomide ankylosing_spondylitis GAP_HIGH 0.1315 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) droperidol pharynx_cancer GAP_HIGH 0.1315 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) melatonin polycystic_ovary_syndrome GAP_HIGH 0.1315 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) melatonin type_2_diabetes_mellitus GAP_HIGH 0.1315 0.2222222222222222 diethylstilbestrol High-priority: Binding assay melatonin→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to diethylstilbestrol (Jaccard=0.22) phenylephrine ankylosing_spondylitis GAP_HIGH 0.1315 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in ankylosing_spondylitis cell model. Expected: similar to methyldopa (Jaccard=0.22) codeine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1315 0.1875 bepridil High-priority: Binding assay codeine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bepridil (Jaccard=0.19) l-cysteine systemic_scleroderma GAP_HIGH 0.1315 0.18 penicillamine High-priority: Binding assay l-cysteine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.18) choline endogenous_depression GAP_HIGH 0.1315 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in endogenous_depression cell model. Expected: similar to amphetamine (Jaccard=0.17) agomelatine larynx_cancer GAP_HIGH 0.1315 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) imipramine bone_cancer GAP_LOW 0.1315 0.14285714285714285 histamine_phosphate Low-priority: Computational docking imipramine vs bone_cancer targets. Cross-check imipramine pharmacophore against bone_cancer pathway. moexipril brain_cancer GAP_LOW 0.1315 0.14285714285714285 doxorubicin Low-priority: Computational docking moexipril vs brain_cancer targets. Cross-check moexipril pharmacophore against brain_cancer pathway. moexipril intracranial_aneurysm GAP_LOW 0.1315 0.14285714285714285 doxorubicin Low-priority: Computational docking moexipril vs intracranial_aneurysm targets. Cross-check moexipril pharmacophore against intracranial_aneurysm pathway. tolazamide muscle_cancer GAP_LOW 0.1315 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs muscle_cancer targets. Cross-check tolazamide pharmacophore against muscle_cancer pathway. tenofovir refractive_error GAP_LOW 0.1315 0.13333333333333333 l-carnitine Low-priority: Computational docking tenofovir vs refractive_error targets. Cross-check tenofovir pharmacophore against refractive_error pathway. dapsone acquired_immunodeficiency_syndrome GAP_LOW 0.1315 0.125 nateglinide Low-priority: Computational docking dapsone vs acquired_immunodeficiency_syndrome targets. Cross-check dapsone pharmacophore against acquired_immunodeficiency_syndrome pathway. travoprost psoriatic_arthritis GAP_LOW 0.1315 0.125 treprostinil Low-priority: Computational docking travoprost vs psoriatic_arthritis targets. Cross-check travoprost pharmacophore against psoriatic_arthritis pathway. pravastatin restless_legs_syndrome GAP_LOW 0.1315 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs restless_legs_syndrome targets. Cross-check pravastatin pharmacophore against restless_legs_syndrome pathway. glisoxepide hematologic_cancer GAP_LOW 0.1315 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs hematologic_cancer targets. Cross-check glisoxepide pharmacophore against hematologic_cancer pathway. vitamin_a alcohol_dependence GAP_LOW 0.1315 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs alcohol_dependence targets. Cross-check vitamin_a pharmacophore against alcohol_dependence pathway. methylphenobarbital refractive_error GAP_LOW 0.1315 0.06666666666666667 chlorphenesin Low-priority: Computational docking methylphenobarbital vs refractive_error targets. Cross-check methylphenobarbital pharmacophore against refractive_error pathway. phenobarbital nephrolithiasis GAP_LOW 0.1315 0.05263157894736842 proparacaine Low-priority: Computational docking phenobarbital vs nephrolithiasis targets. Cross-check phenobarbital pharmacophore against nephrolithiasis pathway. amlodipine bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking amlodipine vs bone_cancer targets. Cross-check amlodipine pharmacophore against bone_cancer pathway. amlodipine gestational_diabetes GAP_LOW 0.1315 0.0 tolazamide Low-priority: Computational docking amlodipine vs gestational_diabetes targets. Cross-check amlodipine pharmacophore against gestational_diabetes pathway. amodiaquine bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking amodiaquine vs bone_cancer targets. Cross-check amodiaquine pharmacophore against bone_cancer pathway. carboprost_tromethamine bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking carboprost_tromethamine vs bone_cancer targets. Cross-check carboprost_tromethamine pharmacophore against bone_cancer pathway. conivaptan bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking conivaptan vs bone_cancer targets. Cross-check conivaptan pharmacophore against bone_cancer pathway. conivaptan gestational_diabetes GAP_LOW 0.1315 0.0 tolazamide Low-priority: Computational docking conivaptan vs gestational_diabetes targets. Cross-check conivaptan pharmacophore against gestational_diabetes pathway. dinoprost_tromethamine bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking dinoprost_tromethamine vs bone_cancer targets. Cross-check dinoprost_tromethamine pharmacophore against bone_cancer pathway. dinoprostone bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking dinoprostone vs bone_cancer targets. Cross-check dinoprostone pharmacophore against bone_cancer pathway. epoprostenol bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking epoprostenol vs bone_cancer targets. Cross-check epoprostenol pharmacophore against bone_cancer pathway. eprosartan bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking eprosartan vs bone_cancer targets. Cross-check eprosartan pharmacophore against bone_cancer pathway. gliquidone bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking gliquidone vs bone_cancer targets. Cross-check gliquidone pharmacophore against bone_cancer pathway. glisoxepide bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking glisoxepide vs bone_cancer targets. Cross-check glisoxepide pharmacophore against bone_cancer pathway. sulpiride bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking sulpiride vs bone_cancer targets. Cross-check sulpiride pharmacophore against bone_cancer pathway. tafluprost bone_cancer GAP_LOW 0.1315 0.0 ibandronate Low-priority: Computational docking tafluprost vs bone_cancer targets. Cross-check tafluprost pharmacophore against bone_cancer pathway. toremifene ocular_cancer GAP_HIGH 0.1314 0.5 methadone High-priority: Binding assay toremifene→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.50) mefenamic_acid sclerosing_cholangitis GAP_HIGH 0.1314 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in sclerosing_cholangitis cell model. Expected: similar to bromfenac (Jaccard=0.37) moricizine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1314 0.35714285714285715 perphenazine High-priority: Binding assay moricizine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to perphenazine (Jaccard=0.36) sulfapyridine endogenous_depression GAP_HIGH 0.1314 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in endogenous_depression cell model. Expected: similar to olsalazine (Jaccard=0.29) ketorolac idiopathic_pulmonary_fibrosis GAP_HIGH 0.1314 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) podofilox duodenum_cancer GAP_HIGH 0.1314 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in duodenum_cancer cell model. Expected: similar to epirubicin (Jaccard=0.29) podofilox gallbladder_cancer GAP_HIGH 0.1314 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in gallbladder_cancer cell model. Expected: similar to epirubicin (Jaccard=0.29) lidocaine gout GAP_HIGH 0.1314 0.2727272727272727 procaine High-priority: Binding assay lidocaine→?; validate in gout cell model. Expected: similar to procaine (Jaccard=0.27) lidocaine thymus_cancer GAP_HIGH 0.1314 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in thymus_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) ethylmorphine vascular_cancer GAP_HIGH 0.1314 0.25 bepridil High-priority: Binding assay ethylmorphine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.25) phenindione mediastinal_cancer GAP_HIGH 0.1314 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) cinchocaine atopic_dermatitis GAP_HIGH 0.1314 0.23809523809523808 tranylcypromine High-priority: Binding assay cinchocaine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.24) cinchocaine hypertension GAP_HIGH 0.1314 0.23809523809523808 tranylcypromine High-priority: Binding assay cinchocaine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.24) fluspirilene mediastinal_cancer GAP_HIGH 0.1314 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in mediastinal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cinchocaine crohns_disease GAP_HIGH 0.1314 0.21739130434782608 sulfanilamide High-priority: Binding assay cinchocaine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.22) ketazolam sclerosing_cholangitis GAP_HIGH 0.1314 0.20833333333333334 chlordiazepoxide High-priority: Binding assay ketazolam→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.21) melatonin glaucoma GAP_HIGH 0.1314 0.16666666666666666 metaraminol High-priority: Binding assay melatonin→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.17) prazepam skin_cancer GAP_HIGH 0.1314 0.16666666666666666 flurbiprofen High-priority: Binding assay prazepam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.17) tolazamide ocular_cancer GAP_LOW 0.1314 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs ocular_cancer targets. Cross-check tolazamide pharmacophore against ocular_cancer pathway. tolbutamide nephrolithiasis GAP_LOW 0.1314 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs nephrolithiasis targets. Cross-check tolbutamide pharmacophore against nephrolithiasis pathway. glipizide alzheimers_disease GAP_LOW 0.1314 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs alzheimers_disease targets. Cross-check glipizide pharmacophore against alzheimers_disease pathway. glipizide autistic_disorder GAP_LOW 0.1314 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs autistic_disorder targets. Cross-check glipizide pharmacophore against autistic_disorder pathway. glipizide nicotine_dependence GAP_LOW 0.1314 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs nicotine_dependence targets. Cross-check glipizide pharmacophore against nicotine_dependence pathway. glipizide parkinsons_disease GAP_LOW 0.1314 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs parkinsons_disease targets. Cross-check glipizide pharmacophore against parkinsons_disease pathway. pravastatin vitiligo GAP_LOW 0.1314 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking pravastatin vs vitiligo targets. Cross-check pravastatin pharmacophore against vitiligo pathway. valsartan salivary_gland_cancer GAP_LOW 0.1314 0.1 aspartame Low-priority: Computational docking valsartan vs salivary_gland_cancer targets. Cross-check valsartan pharmacophore against salivary_gland_cancer pathway. olmesartan duodenum_cancer GAP_LOW 0.1314 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs duodenum_cancer targets. Cross-check olmesartan pharmacophore against duodenum_cancer pathway. olmesartan gallbladder_cancer GAP_LOW 0.1314 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs gallbladder_cancer targets. Cross-check olmesartan pharmacophore against gallbladder_cancer pathway. dinoprostone azoospermia GAP_LOW 0.1314 0.08695652173913043 pseudoephedrine Low-priority: Computational docking dinoprostone vs azoospermia targets. Cross-check dinoprostone pharmacophore against azoospermia pathway. calcium_acetate chronic_obstructive_pulmonary_disease GAP_LOW 0.1314 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs chronic_obstructive_pulmonary_disease targets. Cross-check calcium_acetate pharmacophore against chronic_obstructive_pulmonary_disease pathway. tetracycline hematologic_cancer GAP_LOW 0.1314 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs hematologic_cancer targets. Cross-check tetracycline pharmacophore against hematologic_cancer pathway. trimethoprim type_1_diabetes_mellitus GAP_LOW 0.1314 0.0625 olsalazine Low-priority: Computational docking trimethoprim vs type_1_diabetes_mellitus targets. Cross-check trimethoprim pharmacophore against type_1_diabetes_mellitus pathway. zolmitriptan head_and_neck_cancer GAP_LOW 0.1314 0.0625 prednicarbate Low-priority: Computational docking zolmitriptan vs head_and_neck_cancer targets. Cross-check zolmitriptan pharmacophore against head_and_neck_cancer pathway. zolmitriptan malignant_glioma GAP_LOW 0.1314 0.0625 prednicarbate Low-priority: Computational docking zolmitriptan vs malignant_glioma targets. Cross-check zolmitriptan pharmacophore against malignant_glioma pathway. tetracycline refractive_error GAP_LOW 0.1314 0.05 clonidine Low-priority: Computational docking tetracycline vs refractive_error targets. Cross-check tetracycline pharmacophore against refractive_error pathway. penicillamine thyroid_cancer GAP_LOW 0.1314 0.045454545454545456 dextrothyroxine Low-priority: Computational docking penicillamine vs thyroid_cancer targets. Cross-check penicillamine pharmacophore against thyroid_cancer pathway. desogestrel pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking desogestrel vs pagets_disease_of_bone targets. Cross-check desogestrel pharmacophore against pagets_disease_of_bone pathway. dienestrol pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking dienestrol vs pagets_disease_of_bone targets. Cross-check dienestrol pharmacophore against pagets_disease_of_bone pathway. enalapril pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking enalapril vs pagets_disease_of_bone targets. Cross-check enalapril pharmacophore against pagets_disease_of_bone pathway. estazolam pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking estazolam vs pagets_disease_of_bone targets. Cross-check estazolam pharmacophore against pagets_disease_of_bone pathway. glucosamine pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking glucosamine vs pagets_disease_of_bone targets. Cross-check glucosamine pharmacophore against pagets_disease_of_bone pathway. l-cystine azoospermia GAP_LOW 0.1314 0.0 phenylbutazone Low-priority: Computational docking l-cystine vs azoospermia targets. Cross-check l-cystine pharmacophore against azoospermia pathway. levomilnacipran pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking levomilnacipran vs pagets_disease_of_bone targets. Cross-check levomilnacipran pharmacophore against pagets_disease_of_bone pathway. levonorgestrel pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking levonorgestrel vs pagets_disease_of_bone targets. Cross-check levonorgestrel pharmacophore against pagets_disease_of_bone pathway. medroxyprogesterone_acetate pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking medroxyprogesterone_acetate vs pagets_disease_of_bone targets. Cross-check medroxyprogesterone_acetate pharmacophore against pagets_disease_of_bone pathway. metaraminol pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking metaraminol vs pagets_disease_of_bone targets. Cross-check metaraminol pharmacophore against pagets_disease_of_bone pathway. milnacipran pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking milnacipran vs pagets_disease_of_bone targets. Cross-check milnacipran pharmacophore against pagets_disease_of_bone pathway. orlistat azoospermia GAP_LOW 0.1314 0.0 phenylbutazone Low-priority: Computational docking orlistat vs azoospermia targets. Cross-check orlistat pharmacophore against azoospermia pathway. pimozide pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking pimozide vs pagets_disease_of_bone targets. Cross-check pimozide pharmacophore against pagets_disease_of_bone pathway. pirbuterol pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking pirbuterol vs pagets_disease_of_bone targets. Cross-check pirbuterol pharmacophore against pagets_disease_of_bone pathway. salbutamol pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking salbutamol vs pagets_disease_of_bone targets. Cross-check salbutamol pharmacophore against pagets_disease_of_bone pathway. trilostane pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking trilostane vs pagets_disease_of_bone targets. Cross-check trilostane pharmacophore against pagets_disease_of_bone pathway. zidovudine pagets_disease_of_bone GAP_LOW 0.1314 0.0 ibandronate Low-priority: Computational docking zidovudine vs pagets_disease_of_bone targets. Cross-check zidovudine pharmacophore against pagets_disease_of_bone pathway. fluocinonide amyotrophic_lateral_sclerosis GAP_HIGH 0.1313 0.38095238095238093 fludrocortisone High-priority: Binding assay fluocinonide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.38) cyclizine metabolic_syndrome_x GAP_HIGH 0.1313 0.35714285714285715 azatadine High-priority: Binding assay cyclizine→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.36) diazepam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1313 0.35714285714285715 azatadine High-priority: Binding assay diazepam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.36) mitiglinide atopic_dermatitis GAP_HIGH 0.1313 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in atopic_dermatitis cell model. Expected: similar to nateglinide (Jaccard=0.33) mitiglinide breast_cancer GAP_HIGH 0.1313 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in breast_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) tolterodine duodenum_cancer GAP_HIGH 0.1313 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.30) tolterodine gallbladder_cancer GAP_HIGH 0.1313 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.30) sulfapyridine migraine GAP_HIGH 0.1313 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in migraine cell model. Expected: similar to olsalazine (Jaccard=0.29) sulfapyridine multiple_sclerosis GAP_HIGH 0.1313 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in multiple_sclerosis cell model. Expected: similar to olsalazine (Jaccard=0.29) tripelennamine mediastinal_cancer GAP_HIGH 0.1313 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) tripelennamine primary_biliary_cirrhosis GAP_HIGH 0.1313 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.27) cinolazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1313 0.2631578947368421 chlorprothixene High-priority: Binding assay cinolazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.26) phenindione thymus_cancer GAP_HIGH 0.1313 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) pomalidomide epilepsy_syndrome GAP_HIGH 0.1313 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in epilepsy_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) fluspirilene thymus_cancer GAP_HIGH 0.1313 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in thymus_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) dapsone metabolic_syndrome_x GAP_HIGH 0.1313 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in metabolic_syndrome_x cell model. Expected: similar to polythiazide (Jaccard=0.23) cladribine meningioma GAP_HIGH 0.1313 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.22) sulfanilamide primary_biliary_cirrhosis GAP_HIGH 0.1313 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.22) pirbuterol celiac_disease GAP_HIGH 0.1313 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in celiac_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) proparacaine celiac_disease GAP_HIGH 0.1313 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.18) aminocaproic_acid azoospermia GAP_LOW 0.1313 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs azoospermia targets. Cross-check aminocaproic_acid pharmacophore against azoospermia pathway. glipizide amyotrophic_lateral_sclerosis GAP_LOW 0.1313 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs amyotrophic_lateral_sclerosis targets. Cross-check glipizide pharmacophore against amyotrophic_lateral_sclerosis pathway. l-carnitine chronic_kidney_failure GAP_LOW 0.1313 0.10714285714285714 bevantolol Low-priority: Computational docking l-carnitine vs chronic_kidney_failure targets. Cross-check l-carnitine pharmacophore against chronic_kidney_failure pathway. halazepam malaria GAP_LOW 0.1313 0.10526315789473684 antipyrine Low-priority: Computational docking halazepam vs malaria targets. Cross-check halazepam pharmacophore against malaria pathway. glutethimide ocular_cancer GAP_LOW 0.1313 0.10256410256410256 diphenylpyraline Low-priority: Computational docking glutethimide vs ocular_cancer targets. Cross-check glutethimide pharmacophore against ocular_cancer pathway. nilvadipine duodenum_cancer GAP_LOW 0.1313 0.1 naftifine Low-priority: Computational docking nilvadipine vs duodenum_cancer targets. Cross-check nilvadipine pharmacophore against duodenum_cancer pathway. nilvadipine gallbladder_cancer GAP_LOW 0.1313 0.1 naftifine Low-priority: Computational docking nilvadipine vs gallbladder_cancer targets. Cross-check nilvadipine pharmacophore against gallbladder_cancer pathway. olmesartan conduct_disorder GAP_LOW 0.1313 0.1 aspartame Low-priority: Computational docking olmesartan vs conduct_disorder targets. Cross-check olmesartan pharmacophore against conduct_disorder pathway. olmesartan panic_disorder GAP_LOW 0.1313 0.1 aspartame Low-priority: Computational docking olmesartan vs panic_disorder targets. Cross-check olmesartan pharmacophore against panic_disorder pathway. valsartan muscle_cancer GAP_LOW 0.1313 0.1 aspartame Low-priority: Computational docking valsartan vs muscle_cancer targets. Cross-check valsartan pharmacophore against muscle_cancer pathway. valsartan prostate_cancer GAP_LOW 0.1313 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs prostate_cancer targets. Cross-check valsartan pharmacophore against prostate_cancer pathway. calcium_acetate epilepsy_syndrome GAP_LOW 0.1313 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs epilepsy_syndrome targets. Cross-check calcium_acetate pharmacophore against epilepsy_syndrome pathway. streptozocin atherosclerosis GAP_LOW 0.1313 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs atherosclerosis targets. Cross-check streptozocin pharmacophore against atherosclerosis pathway. choline alcohol_dependence GAP_LOW 0.1313 0.058823529411764705 ethylmorphine Low-priority: Computational docking choline vs alcohol_dependence targets. Cross-check choline pharmacophore against alcohol_dependence pathway. felypressin gestational_diabetes GAP_LOW 0.1313 0.047619047619047616 zafirlukast Low-priority: Computational docking felypressin vs gestational_diabetes targets. Cross-check felypressin pharmacophore against gestational_diabetes pathway. methohexital glaucoma GAP_LOW 0.1313 0.03333333333333333 sotalol Low-priority: Computational docking methohexital vs glaucoma targets. Cross-check methohexital pharmacophore against glaucoma pathway. clofedanol gout GAP_HIGH 0.1312 0.4838709677419355 promazine High-priority: Binding assay clofedanol→?; validate in gout cell model. Expected: similar to promazine (Jaccard=0.48) propericiazine mediastinal_cancer GAP_HIGH 0.1312 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) phensuximide uterine_fibroid GAP_HIGH 0.1312 0.38636363636363635 clomipramine High-priority: Binding assay phensuximide→?; validate in uterine_fibroid cell model. Expected: similar to clomipramine (Jaccard=0.39) methdilazine malaria GAP_HIGH 0.1312 0.35 heptabarbital High-priority: Binding assay methdilazine→?; validate in malaria cell model. Expected: similar to heptabarbital (Jaccard=0.35) mitiglinide pancreatic_cancer GAP_HIGH 0.1312 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in pancreatic_cancer cell model. Expected: similar to nateglinide (Jaccard=0.33) tripelennamine thymus_cancer GAP_HIGH 0.1312 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) sulfadiazine atopic_dermatitis GAP_HIGH 0.1312 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in atopic_dermatitis cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) sulfadiazine hypertension GAP_HIGH 0.1312 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in hypertension cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) drostanolone malignant_glioma GAP_HIGH 0.1312 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in malignant_glioma cell model. Expected: similar to progesterone (Jaccard=0.26) bepotastine pharynx_cancer GAP_HIGH 0.1312 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol thyroid_cancer GAP_HIGH 0.1312 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in thyroid_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene hematologic_cancer GAP_HIGH 0.1312 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in hematologic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene narcolepsy GAP_HIGH 0.1312 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in narcolepsy cell model. Expected: similar to loperamide (Jaccard=0.24) benzocaine salivary_gland_cancer GAP_HIGH 0.1312 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in salivary_gland_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dienestrol duodenum_cancer GAP_HIGH 0.1312 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in duodenum_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol gallbladder_cancer GAP_HIGH 0.1312 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in gallbladder_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol melanoma GAP_HIGH 0.1312 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in melanoma cell model. Expected: similar to fulvestrant (Jaccard=0.20) tolazoline primary_biliary_cirrhosis GAP_HIGH 0.1312 0.2 mitiglinide High-priority: Binding assay tolazoline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.20) clotiazepam hematologic_cancer GAP_HIGH 0.1312 0.17857142857142858 flurbiprofen High-priority: Binding assay clotiazepam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.18) methyclothiazide atherosclerosis GAP_LOW 0.1312 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs atherosclerosis targets. Cross-check methyclothiazide pharmacophore against atherosclerosis pathway. tolazamide hematologic_cancer GAP_LOW 0.1312 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs hematologic_cancer targets. Cross-check tolazamide pharmacophore against hematologic_cancer pathway. tolazamide narcolepsy GAP_LOW 0.1312 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs narcolepsy targets. Cross-check tolazamide pharmacophore against narcolepsy pathway. clofibrate glaucoma GAP_LOW 0.1312 0.1 methacholine Low-priority: Computational docking clofibrate vs glaucoma targets. Cross-check clofibrate pharmacophore against glaucoma pathway. oxyphenonium gilles_de_la_tourette_syndrome GAP_LOW 0.1312 0.1 trifluoperazine Low-priority: Computational docking oxyphenonium vs gilles_de_la_tourette_syndrome targets. Cross-check oxyphenonium pharmacophore against gilles_de_la_tourette_syndrome pathway. tofisopam refractive_error GAP_LOW 0.1312 0.1 l-carnitine Low-priority: Computational docking tofisopam vs refractive_error targets. Cross-check tofisopam pharmacophore against refractive_error pathway. esmolol hepatitis_b GAP_LOW 0.1312 0.09090909090909091 alvimopan Low-priority: Computational docking esmolol vs hepatitis_b targets. Cross-check esmolol pharmacophore against hepatitis_b pathway. amodiaquine glaucoma GAP_LOW 0.1312 0.08571428571428572 pseudoephedrine Low-priority: Computational docking amodiaquine vs glaucoma targets. Cross-check amodiaquine pharmacophore against glaucoma pathway. riboflavin crohns_disease GAP_LOW 0.1312 0.05 tioguanine Low-priority: Computational docking riboflavin vs crohns_disease targets. Cross-check riboflavin pharmacophore against crohns_disease pathway. nisoldipine alcohol_dependence GAP_LOW 0.1312 0.023809523809523808 mazindol Low-priority: Computational docking nisoldipine vs alcohol_dependence targets. Cross-check nisoldipine pharmacophore against alcohol_dependence pathway. orlistat membranous_glomerulonephritis GAP_LOW 0.1312 0.0 methdilazine Low-priority: Computational docking orlistat vs membranous_glomerulonephritis targets. Cross-check orlistat pharmacophore against membranous_glomerulonephritis pathway. promazine esophageal_cancer GAP_HIGH 0.1311 0.43478260869565216 toremifene High-priority: Binding assay promazine→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) propericiazine thymus_cancer GAP_HIGH 0.1311 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) chlordiazepoxide hematologic_cancer GAP_HIGH 0.1311 0.38461538461538464 azelastine High-priority: Binding assay chlordiazepoxide→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) aprindine stomach_cancer GAP_HIGH 0.1311 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) isopropamide germ_cell_cancer GAP_HIGH 0.1311 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) ketoprofen coronary_artery_disease GAP_HIGH 0.1311 0.3333333333333333 indomethacin High-priority: Binding assay ketoprofen→?; validate in coronary_artery_disease cell model. Expected: similar to indomethacin (Jaccard=0.33) mitiglinide psoriasis GAP_HIGH 0.1311 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in psoriasis cell model. Expected: similar to nateglinide (Jaccard=0.33) mitiglinide ulcerative_colitis GAP_HIGH 0.1311 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in ulcerative_colitis cell model. Expected: similar to nateglinide (Jaccard=0.33) clozapine atherosclerosis GAP_HIGH 0.1311 0.3 flurbiprofen High-priority: Binding assay clozapine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.30) tolmetin breast_cancer GAP_HIGH 0.1311 0.3 naproxen High-priority: Binding assay tolmetin→?; validate in breast_cancer cell model. Expected: similar to naproxen (Jaccard=0.30) tranylcypromine duodenum_cancer GAP_HIGH 0.1311 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) tranylcypromine gallbladder_cancer GAP_HIGH 0.1311 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) melphalan chronic_kidney_failure GAP_HIGH 0.1311 0.2571428571428571 fenoprofen High-priority: Binding assay melphalan→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.26) pomalidomide pancreatitis GAP_HIGH 0.1311 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in pancreatitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) ponatinib colon_cancer GAP_HIGH 0.1311 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.24) mepyramine celiac_disease GAP_HIGH 0.1311 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.22) phenylephrine pancreatitis GAP_HIGH 0.1311 0.2222222222222222 methyldopa High-priority: Binding assay phenylephrine→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.22) dasatinib germ_cell_cancer GAP_HIGH 0.1311 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in germ_cell_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) disopyramide meningioma GAP_HIGH 0.1311 0.2 phenylbutazone High-priority: Binding assay disopyramide→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.20) proparacaine creutzfeldt-jakob_disease GAP_HIGH 0.1311 0.2 tranylcypromine High-priority: Binding assay proparacaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.20) tolazoline gout GAP_HIGH 0.1311 0.2 acetaminophen High-priority: Binding assay tolazoline→?; validate in gout cell model. Expected: similar to acetaminophen (Jaccard=0.20) doxorubicin leprosy GAP_HIGH 0.1311 0.16666666666666666 pomalidomide High-priority: Binding assay doxorubicin→?; validate in leprosy cell model. Expected: similar to pomalidomide (Jaccard=0.17) tolazamide urinary_bladder_cancer GAP_LOW 0.1311 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs urinary_bladder_cancer targets. Cross-check tolazamide pharmacophore against urinary_bladder_cancer pathway. sulfamethizole gestational_diabetes GAP_LOW 0.1311 0.13333333333333333 glisoxepide Low-priority: Computational docking sulfamethizole vs gestational_diabetes targets. Cross-check sulfamethizole pharmacophore against gestational_diabetes pathway. dinoprostone colon_cancer GAP_LOW 0.1311 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs colon_cancer targets. Cross-check dinoprostone pharmacophore against colon_cancer pathway. glipizide attention_deficit_hyperactivity_disorder GAP_LOW 0.1311 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs attention_deficit_hyperactivity_disorder targets. Cross-check glipizide pharmacophore against attention_deficit_hyperactivity_disorder pathway. eprosartan thyroid_cancer GAP_LOW 0.1311 0.1 procaine Low-priority: Computational docking eprosartan vs thyroid_cancer targets. Cross-check eprosartan pharmacophore against thyroid_cancer pathway. olmesartan endogenous_depression GAP_LOW 0.1311 0.1 aspartame Low-priority: Computational docking olmesartan vs endogenous_depression targets. Cross-check olmesartan pharmacophore against endogenous_depression pathway. valsartan ocular_cancer GAP_LOW 0.1311 0.1 aspartame Low-priority: Computational docking valsartan vs ocular_cancer targets. Cross-check valsartan pharmacophore against ocular_cancer pathway. captopril chronic_kidney_failure GAP_LOW 0.1311 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking captopril vs chronic_kidney_failure targets. Cross-check captopril pharmacophore against chronic_kidney_failure pathway. dasatinib bone_cancer GAP_LOW 0.1311 0.09090909090909091 histamine_phosphate Low-priority: Computational docking dasatinib vs bone_cancer targets. Cross-check dasatinib pharmacophore against bone_cancer pathway. melphalan pagets_disease_of_bone GAP_LOW 0.1311 0.08333333333333333 histamine_phosphate Low-priority: Computational docking melphalan vs pagets_disease_of_bone targets. Cross-check melphalan pharmacophore against pagets_disease_of_bone pathway. calcium_acetate pancreatitis GAP_LOW 0.1311 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs pancreatitis targets. Cross-check calcium_acetate pharmacophore against pancreatitis pathway. aminolevulinic_acid creutzfeldt-jakob_disease GAP_LOW 0.1311 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs creutzfeldt-jakob_disease targets. Cross-check aminolevulinic_acid pharmacophore against creutzfeldt-jakob_disease pathway. aminolevulinic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1311 0.046511627906976744 l-dopa Low-priority: Computational docking aminolevulinic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check aminolevulinic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. flutamide malaria GAP_LOW 0.1311 0.038461538461538464 phenytoin Low-priority: Computational docking flutamide vs malaria targets. Cross-check flutamide pharmacophore against malaria pathway. thioproperazine sarcoma GAP_HIGH 0.131 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.50) aprindine pancreatic_cancer GAP_HIGH 0.131 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) aprindine ulcerative_colitis GAP_HIGH 0.131 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.33) cyclopentolate malignant_mesothelioma GAP_HIGH 0.131 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.33) mitiglinide multiple_sclerosis GAP_HIGH 0.131 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in multiple_sclerosis cell model. Expected: similar to nateglinide (Jaccard=0.33) chloroprocaine ankylosing_spondylitis GAP_HIGH 0.131 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.31) diclofenac chronic_obstructive_pulmonary_disease GAP_HIGH 0.131 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.31) bromodiphenhydramine malignant_mesothelioma GAP_HIGH 0.131 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.30) lisinopril coronary_artery_disease GAP_HIGH 0.131 0.3 moexipril High-priority: Binding assay lisinopril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.30) eplerenone pancreatitis GAP_HIGH 0.131 0.2857142857142857 exemestane High-priority: Binding assay eplerenone→?; validate in pancreatitis cell model. Expected: similar to exemestane (Jaccard=0.29) podofilox sclerosing_cholangitis GAP_HIGH 0.131 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in sclerosing_cholangitis cell model. Expected: similar to epirubicin (Jaccard=0.29) drostanolone nephrolithiasis GAP_HIGH 0.131 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in nephrolithiasis cell model. Expected: similar to progesterone (Jaccard=0.26) bepotastine thyroid_cancer GAP_HIGH 0.131 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in thyroid_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib pancreatic_cancer GAP_HIGH 0.131 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in pancreatic_cancer cell model. Expected: similar to sorafenib (Jaccard=0.24) etonogestrel malignant_mesothelioma GAP_HIGH 0.131 0.2222222222222222 dexamethasone High-priority: Binding assay etonogestrel→?; validate in malignant_mesothelioma cell model. Expected: similar to dexamethasone (Jaccard=0.22) dipivefrin crohns_disease GAP_HIGH 0.131 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.20) naloxone alopecia_areata GAP_HIGH 0.131 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.18) codeine primary_biliary_cirrhosis GAP_HIGH 0.131 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.18) colchicine psoriasis GAP_HIGH 0.131 0.16666666666666666 histamine_phosphate High-priority: Binding assay colchicine→?; validate in psoriasis cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) diclofenamide ankylosing_spondylitis GAP_HIGH 0.131 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to indapamide (Jaccard=0.17) metolazone azoospermia GAP_LOW 0.131 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs azoospermia targets. Cross-check metolazone pharmacophore against azoospermia pathway. isradipine pancreatitis GAP_LOW 0.131 0.125 flunarizine Low-priority: Computational docking isradipine vs pancreatitis targets. Cross-check isradipine pharmacophore against pancreatitis pathway. l-citrulline larynx_cancer GAP_LOW 0.131 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs larynx_cancer targets. Cross-check l-citrulline pharmacophore against larynx_cancer pathway. olmesartan uterine_cancer GAP_LOW 0.131 0.1 aspartame Low-priority: Computational docking olmesartan vs uterine_cancer targets. Cross-check olmesartan pharmacophore against uterine_cancer pathway. olmesartan creutzfeldt-jakob_disease GAP_LOW 0.131 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs creutzfeldt-jakob_disease targets. Cross-check olmesartan pharmacophore against creutzfeldt-jakob_disease pathway. olmesartan sclerosing_cholangitis GAP_LOW 0.131 0.09090909090909091 cinnarizine Low-priority: Computational docking olmesartan vs sclerosing_cholangitis targets. Cross-check olmesartan pharmacophore against sclerosing_cholangitis pathway. zolmitriptan meningioma GAP_LOW 0.131 0.07692307692307693 loperamide Low-priority: Computational docking zolmitriptan vs meningioma targets. Cross-check zolmitriptan pharmacophore against meningioma pathway. tauroursodeoxycholic_acid allergic_rhinitis GAP_LOW 0.131 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs allergic_rhinitis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against allergic_rhinitis pathway. tauroursodeoxycholic_acid atopic_dermatitis GAP_LOW 0.131 0.06666666666666667 tiaprofenic_acid Low-priority: Computational docking tauroursodeoxycholic_acid vs atopic_dermatitis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against atopic_dermatitis pathway. quazepam meningioma GAP_LOW 0.131 0.05 phenylbutazone Low-priority: Computational docking quazepam vs meningioma targets. Cross-check quazepam pharmacophore against meningioma pathway. acetylcysteine gout GAP_LOW 0.131 0.043478260869565216 tolbutamide Low-priority: Computational docking acetylcysteine vs gout targets. Cross-check acetylcysteine pharmacophore against gout pathway. aminolevulinic_acid meningioma GAP_LOW 0.131 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs meningioma targets. Cross-check aminolevulinic_acid pharmacophore against meningioma pathway. flutamide acquired_immunodeficiency_syndrome GAP_LOW 0.131 0.016666666666666666 adenosine_monophosphate Low-priority: Computational docking flutamide vs acquired_immunodeficiency_syndrome targets. Cross-check flutamide pharmacophore against acquired_immunodeficiency_syndrome pathway. alverine hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking alverine vs hypothyroidism targets. Cross-check alverine pharmacophore against hypothyroidism pathway. clodronate hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking clodronate vs hypothyroidism targets. Cross-check clodronate pharmacophore against hypothyroidism pathway. dextroamphetamine hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking dextroamphetamine vs hypothyroidism targets. Cross-check dextroamphetamine pharmacophore against hypothyroidism pathway. docetaxel hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking docetaxel vs hypothyroidism targets. Cross-check docetaxel pharmacophore against hypothyroidism pathway. doxorubicin hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking doxorubicin vs hypothyroidism targets. Cross-check doxorubicin pharmacophore against hypothyroidism pathway. entecavir hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking entecavir vs hypothyroidism targets. Cross-check entecavir pharmacophore against hypothyroidism pathway. nortriptyline hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking nortriptyline vs hypothyroidism targets. Cross-check nortriptyline pharmacophore against hypothyroidism pathway. sunitinib hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking sunitinib vs hypothyroidism targets. Cross-check sunitinib pharmacophore against hypothyroidism pathway. vandetanib hypothyroidism GAP_LOW 0.131 0.0 methimazole Low-priority: Computational docking vandetanib vs hypothyroidism targets. Cross-check vandetanib pharmacophore against hypothyroidism pathway. promazine melanoma GAP_HIGH 0.1309 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in melanoma cell model. Expected: similar to clofedanol (Jaccard=0.48) trifluoperazine schizophrenia GAP_HIGH 0.1309 0.4666666666666667 zuclopenthixol High-priority: Binding assay trifluoperazine→?; validate in schizophrenia cell model. Expected: similar to zuclopenthixol (Jaccard=0.47) chlorpromazine prostate_cancer GAP_HIGH 0.1309 0.4444444444444444 azelastine High-priority: Binding assay chlorpromazine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) mazindol duodenum_cancer GAP_HIGH 0.1309 0.425 loxapine High-priority: Binding assay mazindol→?; validate in duodenum_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol gallbladder_cancer GAP_HIGH 0.1309 0.425 loxapine High-priority: Binding assay mazindol→?; validate in gallbladder_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) naftifine pharynx_cancer GAP_HIGH 0.1309 0.41379310344827586 methadone High-priority: Binding assay naftifine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.41) methotrimeprazine gout GAP_HIGH 0.1309 0.4 pirenzepine High-priority: Binding assay methotrimeprazine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.40) l-dopa parkinsons_disease GAP_HIGH 0.1309 0.375 levonordefrin High-priority: Binding assay l-dopa→?; validate in parkinsons_disease cell model. Expected: similar to levonordefrin (Jaccard=0.38) atomoxetine type_1_diabetes_mellitus GAP_HIGH 0.1309 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.36) fludiazepam duodenum_cancer GAP_HIGH 0.1309 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in duodenum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) fludiazepam gallbladder_cancer GAP_HIGH 0.1309 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in gallbladder_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) aprindine uterine_cancer GAP_HIGH 0.1309 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) benzatropine penile_cancer GAP_HIGH 0.1309 0.30434782608695654 diphenylpyraline High-priority: Binding assay benzatropine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.30) phensuximide atherosclerosis GAP_HIGH 0.1309 0.28846153846153844 flurbiprofen High-priority: Binding assay phensuximide→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.29) mitiglinide type_1_diabetes_mellitus GAP_HIGH 0.1309 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.29) probenecid rectum_cancer GAP_HIGH 0.1309 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) anileridine mediastinal_cancer GAP_HIGH 0.1309 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in mediastinal_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) droperidol salivary_gland_cancer GAP_HIGH 0.1309 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib osteoporosis GAP_HIGH 0.1309 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.24) ponatinib psoriasis GAP_HIGH 0.1309 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.24) dapsone obesity GAP_HIGH 0.1309 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in obesity cell model. Expected: similar to polythiazide (Jaccard=0.23) benzocaine ocular_cancer GAP_HIGH 0.1309 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in ocular_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dienestrol sclerosing_cholangitis GAP_HIGH 0.1309 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in sclerosing_cholangitis cell model. Expected: similar to fulvestrant (Jaccard=0.20) doxylamine type_1_diabetes_mellitus GAP_HIGH 0.1309 0.2 benzatropine High-priority: Binding assay doxylamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.20) melatonin creutzfeldt-jakob_disease GAP_HIGH 0.1309 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to nefazodone (Jaccard=0.20) codeine gout GAP_HIGH 0.1309 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.18) flavin_adenine_dinucleotide crohns_disease GAP_HIGH 0.1309 0.16666666666666666 tioguanine High-priority: Binding assay flavin_adenine_dinucleotide→?; validate in crohns_disease cell model. Expected: similar to tioguanine (Jaccard=0.17) prazepam kidney_cancer GAP_LOW 0.1309 0.13043478260869565 quinacrine Low-priority: Computational docking prazepam vs kidney_cancer targets. Cross-check prazepam pharmacophore against kidney_cancer pathway. amphetamine crohns_disease GAP_LOW 0.1309 0.125 bromodiphenhydramine Low-priority: Computational docking amphetamine vs crohns_disease targets. Cross-check amphetamine pharmacophore against crohns_disease pathway. l-arginine crohns_disease GAP_LOW 0.1309 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs crohns_disease targets. Cross-check l-arginine pharmacophore against crohns_disease pathway. carvedilol narcolepsy GAP_LOW 0.1309 0.1111111111111111 ketoprofen Low-priority: Computational docking carvedilol vs narcolepsy targets. Cross-check carvedilol pharmacophore against narcolepsy pathway. olmesartan sarcoma GAP_LOW 0.1309 0.1 aspartame Low-priority: Computational docking olmesartan vs sarcoma targets. Cross-check olmesartan pharmacophore against sarcoma pathway. valsartan autistic_disorder GAP_LOW 0.1309 0.1 aspartame Low-priority: Computational docking valsartan vs autistic_disorder targets. Cross-check valsartan pharmacophore against autistic_disorder pathway. valsartan nicotine_dependence GAP_LOW 0.1309 0.1 aspartame Low-priority: Computational docking valsartan vs nicotine_dependence targets. Cross-check valsartan pharmacophore against nicotine_dependence pathway. sulpiride focal_segmental_glomerulosclerosis GAP_LOW 0.1309 0.08333333333333333 indapamide Low-priority: Computational docking sulpiride vs focal_segmental_glomerulosclerosis targets. Cross-check sulpiride pharmacophore against focal_segmental_glomerulosclerosis pathway. pralatrexate leprosy GAP_LOW 0.1309 0.07692307692307693 menadione Low-priority: Computational docking pralatrexate vs leprosy targets. Cross-check pralatrexate pharmacophore against leprosy pathway. glipizide intracranial_aneurysm GAP_LOW 0.1309 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs intracranial_aneurysm targets. Cross-check glipizide pharmacophore against intracranial_aneurysm pathway. estriol focal_segmental_glomerulosclerosis GAP_LOW 0.1309 0.0625 toremifene Low-priority: Computational docking estriol vs focal_segmental_glomerulosclerosis targets. Cross-check estriol pharmacophore against focal_segmental_glomerulosclerosis pathway. aminolevulinic_acid thyroid_cancer GAP_LOW 0.1309 0.05555555555555555 vorinostat Low-priority: Computational docking aminolevulinic_acid vs thyroid_cancer targets. Cross-check aminolevulinic_acid pharmacophore against thyroid_cancer pathway. l-citrulline gestational_diabetes GAP_LOW 0.1309 0.028169014084507043 bezafibrate Low-priority: Computational docking l-citrulline vs gestational_diabetes targets. Cross-check l-citrulline pharmacophore against gestational_diabetes pathway. carvedilol dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking carvedilol vs dilated_cardiomyopathy targets. Cross-check carvedilol pharmacophore against dilated_cardiomyopathy pathway. dextropropoxyphene dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs dilated_cardiomyopathy targets. Cross-check dextropropoxyphene pharmacophore against dilated_cardiomyopathy pathway. glimepiride dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking glimepiride vs dilated_cardiomyopathy targets. Cross-check glimepiride pharmacophore against dilated_cardiomyopathy pathway. glipizide dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking glipizide vs dilated_cardiomyopathy targets. Cross-check glipizide pharmacophore against dilated_cardiomyopathy pathway. mannitol dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking mannitol vs dilated_cardiomyopathy targets. Cross-check mannitol pharmacophore against dilated_cardiomyopathy pathway. nicardipine dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs dilated_cardiomyopathy targets. Cross-check nicardipine pharmacophore against dilated_cardiomyopathy pathway. nilvadipine dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs dilated_cardiomyopathy targets. Cross-check nilvadipine pharmacophore against dilated_cardiomyopathy pathway. olmesartan dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs dilated_cardiomyopathy targets. Cross-check olmesartan pharmacophore against dilated_cardiomyopathy pathway. orlistat germ_cell_cancer GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking orlistat vs germ_cell_cancer targets. Cross-check orlistat pharmacophore against germ_cell_cancer pathway. pravastatin dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs dilated_cardiomyopathy targets. Cross-check pravastatin pharmacophore against dilated_cardiomyopathy pathway. propofol esophageal_cancer GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking propofol vs esophageal_cancer targets. Cross-check propofol pharmacophore against esophageal_cancer pathway. ranolazine dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking ranolazine vs dilated_cardiomyopathy targets. Cross-check ranolazine pharmacophore against dilated_cardiomyopathy pathway. tauroursodeoxycholic_acid dilated_cardiomyopathy GAP_LOW 0.1309 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs dilated_cardiomyopathy targets. Cross-check tauroursodeoxycholic_acid pharmacophore against dilated_cardiomyopathy pathway. triflupromazine psoriasis GAP_HIGH 0.1308 0.4 acepromazine High-priority: Binding assay triflupromazine→?; validate in psoriasis cell model. Expected: similar to acepromazine (Jaccard=0.40) phenprocoumon uterine_fibroid GAP_HIGH 0.1308 0.36363636363636365 benzatropine High-priority: Binding assay phenprocoumon→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.36) chlordiazepoxide focal_segmental_glomerulosclerosis GAP_HIGH 0.1308 0.3448275862068966 chlorpromazine High-priority: Binding assay chlordiazepoxide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorpromazine (Jaccard=0.34) phentermine celiac_disease GAP_HIGH 0.1308 0.30434782608695654 phenacemide High-priority: Binding assay phentermine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.30) ketorolac hematologic_cancer GAP_HIGH 0.1308 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in hematologic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) drostanolone celiac_disease GAP_HIGH 0.1308 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in celiac_disease cell model. Expected: similar to progesterone (Jaccard=0.26) medroxyprogesterone_acetate mediastinal_cancer GAP_HIGH 0.1308 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) dobutamine pancreatitis GAP_HIGH 0.1308 0.2222222222222222 mesalazine High-priority: Binding assay dobutamine→?; validate in pancreatitis cell model. Expected: similar to mesalazine (Jaccard=0.22) naloxone mediastinal_cancer GAP_HIGH 0.1308 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in mediastinal_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) naloxone primary_biliary_cirrhosis GAP_HIGH 0.1308 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to docetaxel (Jaccard=0.22) ethylmorphine chronic_kidney_failure GAP_HIGH 0.1308 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.21) milnacipran membranous_glomerulonephritis GAP_HIGH 0.1308 0.18181818181818182 promethazine High-priority: Binding assay milnacipran→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.18) arformoterol larynx_cancer GAP_LOW 0.1308 0.14285714285714285 clodronate Low-priority: Computational docking arformoterol vs larynx_cancer targets. Cross-check arformoterol pharmacophore against larynx_cancer pathway. tropicamide brain_cancer GAP_LOW 0.1308 0.125 drospirenone Low-priority: Computational docking tropicamide vs brain_cancer targets. Cross-check tropicamide pharmacophore against brain_cancer pathway. tropicamide intracranial_aneurysm GAP_LOW 0.1308 0.125 drospirenone Low-priority: Computational docking tropicamide vs intracranial_aneurysm targets. Cross-check tropicamide pharmacophore against intracranial_aneurysm pathway. diclofenac leprosy GAP_LOW 0.1308 0.11764705882352941 pomalidomide Low-priority: Computational docking diclofenac vs leprosy targets. Cross-check diclofenac pharmacophore against leprosy pathway. dinoprostone osteoporosis GAP_LOW 0.1308 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs osteoporosis targets. Cross-check dinoprostone pharmacophore against osteoporosis pathway. glipizide breast_cancer GAP_LOW 0.1308 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs breast_cancer targets. Cross-check glipizide pharmacophore against breast_cancer pathway. glipizide conduct_disorder GAP_LOW 0.1308 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs conduct_disorder targets. Cross-check glipizide pharmacophore against conduct_disorder pathway. losartan osteoporosis GAP_LOW 0.1308 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs osteoporosis targets. Cross-check losartan pharmacophore against osteoporosis pathway. losartan psoriasis GAP_LOW 0.1308 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs psoriasis targets. Cross-check losartan pharmacophore against psoriasis pathway. valsartan peripheral_nervous_system_neoplasm GAP_LOW 0.1308 0.1 aspartame Low-priority: Computational docking valsartan vs peripheral_nervous_system_neoplasm targets. Cross-check valsartan pharmacophore against peripheral_nervous_system_neoplasm pathway. valsartan urinary_bladder_cancer GAP_LOW 0.1308 0.1 aspartame Low-priority: Computational docking valsartan vs urinary_bladder_cancer targets. Cross-check valsartan pharmacophore against urinary_bladder_cancer pathway. eprosartan mediastinal_cancer GAP_LOW 0.1308 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs mediastinal_cancer targets. Cross-check eprosartan pharmacophore against mediastinal_cancer pathway. valsartan duodenum_cancer GAP_LOW 0.1308 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs duodenum_cancer targets. Cross-check valsartan pharmacophore against duodenum_cancer pathway. valsartan gallbladder_cancer GAP_LOW 0.1308 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs gallbladder_cancer targets. Cross-check valsartan pharmacophore against gallbladder_cancer pathway. carprofen nephrolithiasis GAP_LOW 0.1308 0.08333333333333333 cabazitaxel Low-priority: Computational docking carprofen vs nephrolithiasis targets. Cross-check carprofen pharmacophore against nephrolithiasis pathway. tolbutamide dilated_cardiomyopathy GAP_LOW 0.1308 0.07692307692307693 trandolapril Low-priority: Computational docking tolbutamide vs dilated_cardiomyopathy targets. Cross-check tolbutamide pharmacophore against dilated_cardiomyopathy pathway. melatonin gestational_diabetes GAP_LOW 0.1308 0.06666666666666667 zafirlukast Low-priority: Computational docking melatonin vs gestational_diabetes targets. Cross-check melatonin pharmacophore against gestational_diabetes pathway. aminolevulinic_acid duodenum_cancer GAP_LOW 0.1308 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs duodenum_cancer targets. Cross-check aminolevulinic_acid pharmacophore against duodenum_cancer pathway. aminolevulinic_acid gallbladder_cancer GAP_LOW 0.1308 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs gallbladder_cancer targets. Cross-check aminolevulinic_acid pharmacophore against gallbladder_cancer pathway. aminolevulinic_acid melanoma GAP_LOW 0.1308 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs melanoma targets. Cross-check aminolevulinic_acid pharmacophore against melanoma pathway. toremifene breast_cancer GAP_HIGH 0.1307 0.5 dimetacrine High-priority: Binding assay toremifene→?; validate in breast_cancer cell model. Expected: similar to dimetacrine (Jaccard=0.50) propericiazine skin_cancer GAP_HIGH 0.1307 0.4090909090909091 thiothixene High-priority: Binding assay propericiazine→?; validate in skin_cancer cell model. Expected: similar to thiothixene (Jaccard=0.41) naproxen creutzfeldt-jakob_disease GAP_HIGH 0.1307 0.35 melphalan High-priority: Binding assay naproxen→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to melphalan (Jaccard=0.35) glucosamine pancreatic_cancer GAP_HIGH 0.1307 0.32 cladribine High-priority: Binding assay glucosamine→?; validate in pancreatic_cancer cell model. Expected: similar to cladribine (Jaccard=0.32) anileridine thymus_cancer GAP_HIGH 0.1307 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in thymus_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) medroxyprogesterone_acetate thymus_cancer GAP_HIGH 0.1307 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) olanzapine membranous_glomerulonephritis GAP_HIGH 0.1307 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) droperidol muscle_cancer GAP_HIGH 0.1307 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in muscle_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine prostate_cancer GAP_HIGH 0.1307 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) naloxone thymus_cancer GAP_HIGH 0.1307 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in thymus_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) ergocalciferol urinary_bladder_cancer GAP_HIGH 0.1307 0.2 nilutamide High-priority: Binding assay ergocalciferol→?; validate in urinary_bladder_cancer cell model. Expected: similar to nilutamide (Jaccard=0.20) l-tryptophan hepatitis_b GAP_HIGH 0.1307 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.20) eplerenone alcohol_dependence GAP_HIGH 0.1307 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) diclofenamide epilepsy_syndrome GAP_HIGH 0.1307 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in epilepsy_syndrome cell model. Expected: similar to indapamide (Jaccard=0.17) streptozocin restless_legs_syndrome GAP_LOW 0.1307 0.14285714285714285 orciprenaline Low-priority: Computational docking streptozocin vs restless_legs_syndrome targets. Cross-check streptozocin pharmacophore against restless_legs_syndrome pathway. zolpidem focal_segmental_glomerulosclerosis GAP_LOW 0.1307 0.14285714285714285 ergocalciferol Low-priority: Computational docking zolpidem vs focal_segmental_glomerulosclerosis targets. Cross-check zolpidem pharmacophore against focal_segmental_glomerulosclerosis pathway. methocarbamol duodenum_cancer GAP_LOW 0.1307 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs duodenum_cancer targets. Cross-check methocarbamol pharmacophore against duodenum_cancer pathway. methocarbamol gallbladder_cancer GAP_LOW 0.1307 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs gallbladder_cancer targets. Cross-check methocarbamol pharmacophore against gallbladder_cancer pathway. methocarbamol melanoma GAP_LOW 0.1307 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs melanoma targets. Cross-check methocarbamol pharmacophore against melanoma pathway. conjugated_estrogens alcohol_dependence GAP_LOW 0.1307 0.1111111111111111 naloxone Low-priority: Computational docking conjugated_estrogens vs alcohol_dependence targets. Cross-check conjugated_estrogens pharmacophore against alcohol_dependence pathway. valsartan attention_deficit_hyperactivity_disorder GAP_LOW 0.1307 0.1 aspartame Low-priority: Computational docking valsartan vs attention_deficit_hyperactivity_disorder targets. Cross-check valsartan pharmacophore against attention_deficit_hyperactivity_disorder pathway. lercanidipine chronic_kidney_failure GAP_LOW 0.1307 0.09523809523809523 bevantolol Low-priority: Computational docking lercanidipine vs chronic_kidney_failure targets. Cross-check lercanidipine pharmacophore against chronic_kidney_failure pathway. eprosartan thymus_cancer GAP_LOW 0.1307 0.09090909090909091 voacamine Low-priority: Computational docking eprosartan vs thymus_cancer targets. Cross-check eprosartan pharmacophore against thymus_cancer pathway. calcium_acetate alzheimers_disease GAP_LOW 0.1307 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs alzheimers_disease targets. Cross-check calcium_acetate pharmacophore against alzheimers_disease pathway. calcium_acetate parkinsons_disease GAP_LOW 0.1307 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs parkinsons_disease targets. Cross-check calcium_acetate pharmacophore against parkinsons_disease pathway. estradiol pagets_disease_of_bone GAP_LOW 0.1307 0.07692307692307693 histamine_phosphate Low-priority: Computational docking estradiol vs pagets_disease_of_bone targets. Cross-check estradiol pharmacophore against pagets_disease_of_bone pathway. lamivudine pagets_disease_of_bone GAP_LOW 0.1307 0.07692307692307693 histamine_phosphate Low-priority: Computational docking lamivudine vs pagets_disease_of_bone targets. Cross-check lamivudine pharmacophore against pagets_disease_of_bone pathway. l-asparagine atherosclerosis GAP_LOW 0.1307 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs atherosclerosis targets. Cross-check l-asparagine pharmacophore against atherosclerosis pathway. butabarbital celiac_disease GAP_LOW 0.1307 0.043478260869565216 clocortolone Low-priority: Computational docking butabarbital vs celiac_disease targets. Cross-check butabarbital pharmacophore against celiac_disease pathway. thioproperazine skin_cancer GAP_HIGH 0.1306 0.5 ethopropazine High-priority: Binding assay thioproperazine→?; validate in skin_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.50) bromfenac narcolepsy GAP_HIGH 0.1306 0.4090909090909091 naproxen High-priority: Binding assay bromfenac→?; validate in narcolepsy cell model. Expected: similar to naproxen (Jaccard=0.41) aprindine systemic_lupus_erythematosus GAP_HIGH 0.1306 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.33) sulfadiazine metabolic_syndrome_x GAP_HIGH 0.1306 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in metabolic_syndrome_x cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) anileridine hematologic_cancer GAP_HIGH 0.1306 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in hematologic_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) lenalidomide polycystic_ovary_syndrome GAP_HIGH 0.1306 0.25 candesartan High-priority: Binding assay lenalidomide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to candesartan (Jaccard=0.25) pomalidomide alzheimers_disease GAP_HIGH 0.1306 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in alzheimers_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide parkinsons_disease GAP_HIGH 0.1306 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in parkinsons_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine salivary_gland_cancer GAP_HIGH 0.1306 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol lung_cancer GAP_HIGH 0.1306 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in lung_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol ocular_cancer GAP_HIGH 0.1306 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol rectum_cancer GAP_HIGH 0.1306 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in rectum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) moexipril kidney_cancer GAP_LOW 0.1306 0.14285714285714285 benzocaine Low-priority: Computational docking moexipril vs kidney_cancer targets. Cross-check moexipril pharmacophore against kidney_cancer pathway. zolpidem gilles_de_la_tourette_syndrome GAP_LOW 0.1306 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs gilles_de_la_tourette_syndrome targets. Cross-check zolpidem pharmacophore against gilles_de_la_tourette_syndrome pathway. isradipine alzheimers_disease GAP_LOW 0.1306 0.125 flunarizine Low-priority: Computational docking isradipine vs alzheimers_disease targets. Cross-check isradipine pharmacophore against alzheimers_disease pathway. glipizide bipolar_disorder GAP_LOW 0.1306 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs bipolar_disorder targets. Cross-check glipizide pharmacophore against bipolar_disorder pathway. glipizide endogenous_depression GAP_LOW 0.1306 0.1111111111111111 pargyline Low-priority: Computational docking glipizide vs endogenous_depression targets. Cross-check glipizide pharmacophore against endogenous_depression pathway. l-aspartic_acid membranous_glomerulonephritis GAP_LOW 0.1306 0.10526315789473684 calcium_acetate Low-priority: Computational docking l-aspartic_acid vs membranous_glomerulonephritis targets. Cross-check l-aspartic_acid pharmacophore against membranous_glomerulonephritis pathway. olmesartan ankylosing_spondylitis GAP_LOW 0.1306 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs ankylosing_spondylitis targets. Cross-check olmesartan pharmacophore against ankylosing_spondylitis pathway. felypressin atherosclerosis GAP_LOW 0.1306 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs atherosclerosis targets. Cross-check felypressin pharmacophore against atherosclerosis pathway. calcium_acetate amyotrophic_lateral_sclerosis GAP_LOW 0.1306 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs amyotrophic_lateral_sclerosis targets. Cross-check calcium_acetate pharmacophore against amyotrophic_lateral_sclerosis pathway. carboprost_tromethamine narcolepsy GAP_LOW 0.1306 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs narcolepsy targets. Cross-check carboprost_tromethamine pharmacophore against narcolepsy pathway. moexipril alcohol_dependence GAP_LOW 0.1306 0.06666666666666667 temazepam Low-priority: Computational docking moexipril vs alcohol_dependence targets. Cross-check moexipril pharmacophore against alcohol_dependence pathway. riboflavin stomach_cancer GAP_LOW 0.1306 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs stomach_cancer targets. Cross-check riboflavin pharmacophore against stomach_cancer pathway. ranolazine esophageal_cancer GAP_LOW 0.1306 0.0625 epirubicin Low-priority: Computational docking ranolazine vs esophageal_cancer targets. Cross-check ranolazine pharmacophore against esophageal_cancer pathway. riboflavin gout GAP_LOW 0.1306 0.05 tioguanine Low-priority: Computational docking riboflavin vs gout targets. Cross-check riboflavin pharmacophore against gout pathway. clofedanol germ_cell_cancer GAP_HIGH 0.1305 0.4642857142857143 toremifene High-priority: Binding assay clofedanol→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.46) chlorpromazine hematologic_cancer GAP_HIGH 0.1305 0.4444444444444444 azelastine High-priority: Binding assay chlorpromazine→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) methotrimeprazine malignant_mesothelioma GAP_HIGH 0.1305 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.39) mefenamic_acid pancreatitis GAP_HIGH 0.1305 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in pancreatitis cell model. Expected: similar to bromfenac (Jaccard=0.37) mitiglinide osteoarthritis GAP_HIGH 0.1305 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in osteoarthritis cell model. Expected: similar to nateglinide (Jaccard=0.33) probenecid peripheral_nervous_system_neoplasm GAP_HIGH 0.1305 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.29) atropine gilles_de_la_tourette_syndrome GAP_HIGH 0.1305 0.25 nefazodone High-priority: Binding assay atropine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.25) danazol mediastinal_cancer GAP_HIGH 0.1305 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in mediastinal_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) podofilox focal_segmental_glomerulosclerosis GAP_HIGH 0.1305 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to amsacrine (Jaccard=0.25) pomalidomide amyotrophic_lateral_sclerosis GAP_HIGH 0.1305 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide autistic_disorder GAP_HIGH 0.1305 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in autistic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide nicotine_dependence GAP_HIGH 0.1305 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in nicotine_dependence cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine muscle_cancer GAP_HIGH 0.1305 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in muscle_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol liver_cancer GAP_HIGH 0.1305 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in liver_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine mediastinal_cancer GAP_HIGH 0.1305 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) proparacaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1305 0.2 tranylcypromine High-priority: Binding assay proparacaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.20) quinethazone azoospermia GAP_HIGH 0.1305 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.18) ethylmorphine malaria GAP_HIGH 0.1305 0.17647058823529413 thiamylal High-priority: Binding assay ethylmorphine→?; validate in malaria cell model. Expected: similar to thiamylal (Jaccard=0.18) adenosine gout GAP_HIGH 0.1305 0.16666666666666666 methotrexate High-priority: Binding assay adenosine→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.17) entecavir brain_cancer GAP_HIGH 0.1305 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) entecavir intracranial_aneurysm GAP_HIGH 0.1305 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.17) codeine chronic_kidney_failure GAP_HIGH 0.1305 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.16) moexipril nephrolithiasis GAP_LOW 0.1305 0.14285714285714285 doxorubicin Low-priority: Computational docking moexipril vs nephrolithiasis targets. Cross-check moexipril pharmacophore against nephrolithiasis pathway. moexipril refractive_error GAP_LOW 0.1305 0.14285714285714285 metaraminol Low-priority: Computational docking moexipril vs refractive_error targets. Cross-check moexipril pharmacophore against refractive_error pathway. aciclovir chronic_obstructive_pulmonary_disease GAP_LOW 0.1305 0.125 imipramine Low-priority: Computational docking aciclovir vs chronic_obstructive_pulmonary_disease targets. Cross-check aciclovir pharmacophore against chronic_obstructive_pulmonary_disease pathway. isradipine autistic_disorder GAP_LOW 0.1305 0.125 flunarizine Low-priority: Computational docking isradipine vs autistic_disorder targets. Cross-check isradipine pharmacophore against autistic_disorder pathway. isradipine parkinsons_disease GAP_LOW 0.1305 0.125 flunarizine Low-priority: Computational docking isradipine vs parkinsons_disease targets. Cross-check isradipine pharmacophore against parkinsons_disease pathway. amodiaquine penile_cancer GAP_LOW 0.1305 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs penile_cancer targets. Cross-check amodiaquine pharmacophore against penile_cancer pathway. valsartan creutzfeldt-jakob_disease GAP_LOW 0.1305 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs creutzfeldt-jakob_disease targets. Cross-check valsartan pharmacophore against creutzfeldt-jakob_disease pathway. valsartan sclerosing_cholangitis GAP_LOW 0.1305 0.09090909090909091 cinnarizine Low-priority: Computational docking valsartan vs sclerosing_cholangitis targets. Cross-check valsartan pharmacophore against sclerosing_cholangitis pathway. amodiaquine nephrolithiasis GAP_LOW 0.1305 0.08823529411764706 cinchocaine Low-priority: Computational docking amodiaquine vs nephrolithiasis targets. Cross-check amodiaquine pharmacophore against nephrolithiasis pathway. ranolazine meningioma GAP_LOW 0.1305 0.08823529411764706 modafinil Low-priority: Computational docking ranolazine vs meningioma targets. Cross-check ranolazine pharmacophore against meningioma pathway. glisoxepide intracranial_aneurysm GAP_LOW 0.1305 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs intracranial_aneurysm targets. Cross-check glisoxepide pharmacophore against intracranial_aneurysm pathway. riboflavin pancreatic_cancer GAP_LOW 0.1305 0.06666666666666667 ethopropazine Low-priority: Computational docking riboflavin vs pancreatic_cancer targets. Cross-check riboflavin pharmacophore against pancreatic_cancer pathway. aminolevulinic_acid sclerosing_cholangitis GAP_LOW 0.1305 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs sclerosing_cholangitis targets. Cross-check aminolevulinic_acid pharmacophore against sclerosing_cholangitis pathway. l-asparagine dilated_cardiomyopathy GAP_LOW 0.1305 0.029411764705882353 rimexolone Low-priority: Computational docking l-asparagine vs dilated_cardiomyopathy targets. Cross-check l-asparagine pharmacophore against dilated_cardiomyopathy pathway. masoprocol migraine GAP_HIGH 0.1304 0.35714285714285715 ritodrine High-priority: Binding assay masoprocol→?; validate in migraine cell model. Expected: similar to ritodrine (Jaccard=0.36) brompheniramine mediastinal_cancer GAP_HIGH 0.1304 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) cyclizine chronic_kidney_failure GAP_HIGH 0.1304 0.3125 temazepam High-priority: Binding assay cyclizine→?; validate in chronic_kidney_failure cell model. Expected: similar to temazepam (Jaccard=0.31) diclofenac lung_cancer GAP_HIGH 0.1304 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac rectum_cancer GAP_HIGH 0.1304 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) lidocaine duodenum_cancer GAP_HIGH 0.1304 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in duodenum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) lidocaine gallbladder_cancer GAP_HIGH 0.1304 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in gallbladder_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) cinolazepam gout GAP_HIGH 0.1304 0.25 diazepam High-priority: Binding assay cinolazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.25) danazol primary_biliary_cirrhosis GAP_HIGH 0.1304 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to paclitaxel (Jaccard=0.25) bepotastine lung_cancer GAP_HIGH 0.1304 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in lung_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine rectum_cancer GAP_HIGH 0.1304 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in rectum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene melanoma GAP_HIGH 0.1304 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in melanoma cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib osteoarthritis GAP_HIGH 0.1304 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.24) dapsone polycystic_ovary_syndrome GAP_HIGH 0.1304 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to polythiazide (Jaccard=0.23) dapsone type_2_diabetes_mellitus GAP_HIGH 0.1304 0.23076923076923078 polythiazide High-priority: Binding assay dapsone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to polythiazide (Jaccard=0.23) cladribine thymus_cancer GAP_HIGH 0.1304 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) oxaprozin leprosy GAP_HIGH 0.1304 0.20930232558139536 phensuximide High-priority: Binding assay oxaprozin→?; validate in leprosy cell model. Expected: similar to phensuximide (Jaccard=0.21) dienestrol ankylosing_spondylitis GAP_HIGH 0.1304 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in ankylosing_spondylitis cell model. Expected: similar to mestranol (Jaccard=0.20) dipivefrin primary_biliary_cirrhosis GAP_HIGH 0.1304 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.20) disopyramide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1304 0.2 metaraminol High-priority: Binding assay disopyramide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to metaraminol (Jaccard=0.20) methocarbamol sclerosing_cholangitis GAP_LOW 0.1304 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs sclerosing_cholangitis targets. Cross-check methocarbamol pharmacophore against sclerosing_cholangitis pathway. olmesartan testicular_cancer GAP_LOW 0.1304 0.1 aspartame Low-priority: Computational docking olmesartan vs testicular_cancer targets. Cross-check olmesartan pharmacophore against testicular_cancer pathway. olmesartan vaginal_cancer GAP_LOW 0.1304 0.1 aspartame Low-priority: Computational docking olmesartan vs vaginal_cancer targets. Cross-check olmesartan pharmacophore against vaginal_cancer pathway. olmesartan vulva_cancer GAP_LOW 0.1304 0.1 aspartame Low-priority: Computational docking olmesartan vs vulva_cancer targets. Cross-check olmesartan pharmacophore against vulva_cancer pathway. valsartan conduct_disorder GAP_LOW 0.1304 0.1 aspartame Low-priority: Computational docking valsartan vs conduct_disorder targets. Cross-check valsartan pharmacophore against conduct_disorder pathway. valsartan panic_disorder GAP_LOW 0.1304 0.1 aspartame Low-priority: Computational docking valsartan vs panic_disorder targets. Cross-check valsartan pharmacophore against panic_disorder pathway. olmesartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1304 0.09090909090909091 cinnarizine Low-priority: Computational docking olmesartan vs chronic_obstructive_pulmonary_disease targets. Cross-check olmesartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. olmesartan melanoma GAP_LOW 0.1304 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs melanoma targets. Cross-check olmesartan pharmacophore against melanoma pathway. amphetamine lymphatic_system_cancer GAP_LOW 0.1304 0.07142857142857142 lamivudine Low-priority: Computational docking amphetamine vs lymphatic_system_cancer targets. Cross-check amphetamine pharmacophore against lymphatic_system_cancer pathway. aminolevulinic_acid head_and_neck_cancer GAP_LOW 0.1304 0.025 dexamethasone Low-priority: Computational docking aminolevulinic_acid vs head_and_neck_cancer targets. Cross-check aminolevulinic_acid pharmacophore against head_and_neck_cancer pathway. antazoline hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking antazoline vs hypothyroidism targets. Cross-check antazoline pharmacophore against hypothyroidism pathway. cinnarizine hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking cinnarizine vs hypothyroidism targets. Cross-check cinnarizine pharmacophore against hypothyroidism pathway. diphenidol hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking diphenidol vs hypothyroidism targets. Cross-check diphenidol pharmacophore against hypothyroidism pathway. flurbiprofen hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking flurbiprofen vs hypothyroidism targets. Cross-check flurbiprofen pharmacophore against hypothyroidism pathway. phensuximide hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking phensuximide vs hypothyroidism targets. Cross-check phensuximide pharmacophore against hypothyroidism pathway. sulfapyridine hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking sulfapyridine vs hypothyroidism targets. Cross-check sulfapyridine pharmacophore against hypothyroidism pathway. teniposide hypothyroidism GAP_LOW 0.1304 0.0 methimazole Low-priority: Computational docking teniposide vs hypothyroidism targets. Cross-check teniposide pharmacophore against hypothyroidism pathway. trifluoperazine systemic_lupus_erythematosus GAP_HIGH 0.1303 0.4666666666666667 zuclopenthixol High-priority: Binding assay trifluoperazine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to zuclopenthixol (Jaccard=0.47) thiothixene membranous_glomerulonephritis GAP_HIGH 0.1303 0.45454545454545453 pipotiazine High-priority: Binding assay thiothixene→?; validate in membranous_glomerulonephritis cell model. Expected: similar to pipotiazine (Jaccard=0.45) trimipramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1303 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to alimemazine (Jaccard=0.44) diethylstilbestrol gout GAP_HIGH 0.1303 0.35294117647058826 dimetacrine High-priority: Binding assay diethylstilbestrol→?; validate in gout cell model. Expected: similar to dimetacrine (Jaccard=0.35) norethindrone kidney_cancer GAP_HIGH 0.1303 0.35 ethinyl_estradiol High-priority: Binding assay norethindrone→?; validate in kidney_cancer cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.35) aprindine vulva_cancer GAP_HIGH 0.1303 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.33) brompheniramine thymus_cancer GAP_HIGH 0.1303 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) diclofenac liver_cancer GAP_HIGH 0.1303 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) lapatinib osteoporosis GAP_HIGH 0.1303 0.2727272727272727 lidocaine High-priority: Binding assay lapatinib→?; validate in osteoporosis cell model. Expected: similar to lidocaine (Jaccard=0.27) danazol thymus_cancer GAP_HIGH 0.1303 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in thymus_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) phenindione melanoma GAP_HIGH 0.1303 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.25) pomalidomide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1303 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) phenindione penile_cancer GAP_HIGH 0.1303 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) bepotastine ocular_cancer GAP_HIGH 0.1303 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol peripheral_nervous_system_neoplasm GAP_HIGH 0.1303 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol urinary_bladder_cancer GAP_HIGH 0.1303 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in urinary_bladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene duodenum_cancer GAP_HIGH 0.1303 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in duodenum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene gallbladder_cancer GAP_HIGH 0.1303 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in gallbladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) dienestrol thyroid_cancer GAP_HIGH 0.1303 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in thyroid_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) dipivefrin gout GAP_HIGH 0.1303 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.20) lenalidomide refractive_error GAP_HIGH 0.1303 0.2 dipivefrin High-priority: Binding assay lenalidomide→?; validate in refractive_error cell model. Expected: similar to dipivefrin (Jaccard=0.20) naproxen gestational_diabetes GAP_HIGH 0.1303 0.1935483870967742 bezafibrate High-priority: Binding assay naproxen→?; validate in gestational_diabetes cell model. Expected: similar to bezafibrate (Jaccard=0.19) quinethazone atherosclerosis GAP_LOW 0.1303 0.15 phenelzine Low-priority: Computational docking quinethazone vs atherosclerosis targets. Cross-check quinethazone pharmacophore against atherosclerosis pathway. tolazamide uterine_cancer GAP_LOW 0.1303 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs uterine_cancer targets. Cross-check tolazamide pharmacophore against uterine_cancer pathway. dinoprostone osteoarthritis GAP_LOW 0.1303 0.1111111111111111 sorafenib Low-priority: Computational docking dinoprostone vs osteoarthritis targets. Cross-check dinoprostone pharmacophore against osteoarthritis pathway. losartan osteoarthritis GAP_LOW 0.1303 0.1111111111111111 dapsone Low-priority: Computational docking losartan vs osteoarthritis targets. Cross-check losartan pharmacophore against osteoarthritis pathway. losartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1303 0.1 epinephrine Low-priority: Computational docking losartan vs chronic_obstructive_pulmonary_disease targets. Cross-check losartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. ibuprofen crohns_disease GAP_LOW 0.1303 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking ibuprofen vs crohns_disease targets. Cross-check ibuprofen pharmacophore against crohns_disease pathway. dinoprostone membranous_glomerulonephritis GAP_LOW 0.1303 0.08333333333333333 floctafenine Low-priority: Computational docking dinoprostone vs membranous_glomerulonephritis targets. Cross-check dinoprostone pharmacophore against membranous_glomerulonephritis pathway. epoprostenol membranous_glomerulonephritis GAP_LOW 0.1303 0.07142857142857142 floctafenine Low-priority: Computational docking epoprostenol vs membranous_glomerulonephritis targets. Cross-check epoprostenol pharmacophore against membranous_glomerulonephritis pathway. valsartan germ_cell_cancer GAP_LOW 0.1303 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs germ_cell_cancer targets. Cross-check valsartan pharmacophore against germ_cell_cancer pathway. zolmitriptan esophageal_cancer GAP_LOW 0.1303 0.047619047619047616 exemestane Low-priority: Computational docking zolmitriptan vs esophageal_cancer targets. Cross-check zolmitriptan pharmacophore against esophageal_cancer pathway. candesartan hepatitis_b GAP_LOW 0.1303 0.045454545454545456 ribavirin Low-priority: Computational docking candesartan vs hepatitis_b targets. Cross-check candesartan pharmacophore against hepatitis_b pathway. allylestrenol pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking allylestrenol vs pagets_disease_of_bone targets. Cross-check allylestrenol pharmacophore against pagets_disease_of_bone pathway. clofarabine pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking clofarabine vs pagets_disease_of_bone targets. Cross-check clofarabine pharmacophore against pagets_disease_of_bone pathway. doxycycline gilles_de_la_tourette_syndrome GAP_LOW 0.1303 0.0 loxapine Low-priority: Computational docking doxycycline vs gilles_de_la_tourette_syndrome targets. Cross-check doxycycline pharmacophore against gilles_de_la_tourette_syndrome pathway. doxylamine pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking doxylamine vs pagets_disease_of_bone targets. Cross-check doxylamine pharmacophore against pagets_disease_of_bone pathway. methyltestosterone pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking methyltestosterone vs pagets_disease_of_bone targets. Cross-check methyltestosterone pharmacophore against pagets_disease_of_bone pathway. orlistat penile_cancer GAP_LOW 0.1303 0.0 hydrocortisone Low-priority: Computational docking orlistat vs penile_cancer targets. Cross-check orlistat pharmacophore against penile_cancer pathway. probenecid pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking probenecid vs pagets_disease_of_bone targets. Cross-check probenecid pharmacophore against pagets_disease_of_bone pathway. ribavirin pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking ribavirin vs pagets_disease_of_bone targets. Cross-check ribavirin pharmacophore against pagets_disease_of_bone pathway. selegiline pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking selegiline vs pagets_disease_of_bone targets. Cross-check selegiline pharmacophore against pagets_disease_of_bone pathway. tolazoline pagets_disease_of_bone GAP_LOW 0.1303 0.0 ibandronate Low-priority: Computational docking tolazoline vs pagets_disease_of_bone targets. Cross-check tolazoline pharmacophore against pagets_disease_of_bone pathway. naftifine salivary_gland_cancer GAP_HIGH 0.1302 0.41379310344827586 methadone High-priority: Binding assay naftifine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.41) bromfenac focal_segmental_glomerulosclerosis GAP_HIGH 0.1302 0.3684210526315789 mefenamic_acid High-priority: Binding assay bromfenac→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to mefenamic_acid (Jaccard=0.37) mefenamic_acid lung_cancer GAP_HIGH 0.1302 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) mefenamic_acid rectum_cancer GAP_HIGH 0.1302 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) oxcarbazepine azoospermia GAP_HIGH 0.1302 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in azoospermia cell model. Expected: similar to phenylbutazone (Jaccard=0.31) benzphetamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1302 0.3076923076923077 promethazine High-priority: Binding assay benzphetamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.31) tripelennamine melanoma GAP_HIGH 0.1302 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.27) sulfadiazine obesity GAP_HIGH 0.1302 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in obesity cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) phenoxybenzamine gilles_de_la_tourette_syndrome GAP_HIGH 0.1302 0.2608695652173913 pheniramine High-priority: Binding assay phenoxybenzamine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to pheniramine (Jaccard=0.26) bepotastine liver_cancer GAP_HIGH 0.1302 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in liver_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) isocarboxazid thyroid_cancer GAP_HIGH 0.1302 0.2222222222222222 liothyronine High-priority: Binding assay isocarboxazid→?; validate in thyroid_cancer cell model. Expected: similar to liothyronine (Jaccard=0.22) sulfanilamide duodenum_cancer GAP_HIGH 0.1302 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) sulfanilamide gallbladder_cancer GAP_HIGH 0.1302 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) melatonin refractive_error GAP_HIGH 0.1302 0.16666666666666666 metaraminol High-priority: Binding assay melatonin→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.17) choline crohns_disease GAP_LOW 0.1302 0.14285714285714285 estradiol Low-priority: Computational docking choline vs crohns_disease targets. Cross-check choline pharmacophore against crohns_disease pathway. milnacipran atherosclerosis GAP_LOW 0.1302 0.14285714285714285 warfarin Low-priority: Computational docking milnacipran vs atherosclerosis targets. Cross-check milnacipran pharmacophore against atherosclerosis pathway. l-ornithine pancreatic_cancer GAP_LOW 0.1302 0.10526315789473684 pargyline Low-priority: Computational docking l-ornithine vs pancreatic_cancer targets. Cross-check l-ornithine pharmacophore against pancreatic_cancer pathway. olmesartan vascular_cancer GAP_LOW 0.1302 0.1 aspartame Low-priority: Computational docking olmesartan vs vascular_cancer targets. Cross-check olmesartan pharmacophore against vascular_cancer pathway. estropipate chronic_kidney_failure GAP_LOW 0.1302 0.07692307692307693 clotrimazole Low-priority: Computational docking estropipate vs chronic_kidney_failure targets. Cross-check estropipate pharmacophore against chronic_kidney_failure pathway. butabarbital pharynx_cancer GAP_LOW 0.1302 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs pharynx_cancer targets. Cross-check butabarbital pharmacophore against pharynx_cancer pathway. aminolevulinic_acid ocular_cancer GAP_LOW 0.1302 0.05555555555555555 vorinostat Low-priority: Computational docking aminolevulinic_acid vs ocular_cancer targets. Cross-check aminolevulinic_acid pharmacophore against ocular_cancer pathway. methylphenobarbital brain_cancer GAP_LOW 0.1302 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking methylphenobarbital vs brain_cancer targets. Cross-check methylphenobarbital pharmacophore against brain_cancer pathway. methylphenobarbital intracranial_aneurysm GAP_LOW 0.1302 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking methylphenobarbital vs intracranial_aneurysm targets. Cross-check methylphenobarbital pharmacophore against intracranial_aneurysm pathway. amodiaquine lymphatic_system_cancer GAP_LOW 0.1302 0.05 streptozocin Low-priority: Computational docking amodiaquine vs lymphatic_system_cancer targets. Cross-check amodiaquine pharmacophore against lymphatic_system_cancer pathway. tetracycline chronic_kidney_failure GAP_LOW 0.1302 0.045454545454545456 propranolol Low-priority: Computational docking tetracycline vs chronic_kidney_failure targets. Cross-check tetracycline pharmacophore against chronic_kidney_failure pathway. ranolazine lymphatic_system_cancer GAP_LOW 0.1302 0.03571428571428571 riboflavin Low-priority: Computational docking ranolazine vs lymphatic_system_cancer targets. Cross-check ranolazine pharmacophore against lymphatic_system_cancer pathway. propofol type_1_diabetes_mellitus GAP_LOW 0.1302 0.0 hydrocortisone Low-priority: Computational docking propofol vs type_1_diabetes_mellitus targets. Cross-check propofol pharmacophore against type_1_diabetes_mellitus pathway. modafinil chronic_kidney_failure GAP_HIGH 0.1301 0.45454545454545453 diphenylpyraline High-priority: Binding assay modafinil→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.45) propericiazine melanoma GAP_HIGH 0.1301 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.39) bromfenac chronic_kidney_failure GAP_HIGH 0.1301 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in chronic_kidney_failure cell model. Expected: similar to salsalate (Jaccard=0.38) mitiglinide systemic_scleroderma GAP_HIGH 0.1301 0.3333333333333333 nateglinide High-priority: Binding assay mitiglinide→?; validate in systemic_scleroderma cell model. Expected: similar to nateglinide (Jaccard=0.33) lapatinib systemic_lupus_erythematosus GAP_HIGH 0.1301 0.2727272727272727 erlotinib High-priority: Binding assay lapatinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to erlotinib (Jaccard=0.27) lidocaine sclerosing_cholangitis GAP_HIGH 0.1301 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to lapatinib (Jaccard=0.27) benzocaine breast_cancer GAP_HIGH 0.1301 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in breast_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dipivefrin coronary_artery_disease GAP_HIGH 0.1301 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.20) l-tryptophan larynx_cancer GAP_HIGH 0.1301 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in larynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) ponatinib azoospermia GAP_HIGH 0.1301 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in azoospermia cell model. Expected: similar to meclizine (Jaccard=0.20) codeine stomach_cancer GAP_HIGH 0.1301 0.1875 bepridil High-priority: Binding assay codeine→?; validate in stomach_cancer cell model. Expected: similar to bepridil (Jaccard=0.19) methyclothiazide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1301 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ritodrine (Jaccard=0.18) choline restless_legs_syndrome GAP_HIGH 0.1301 0.16666666666666666 amphetamine High-priority: Binding assay choline→?; validate in restless_legs_syndrome cell model. Expected: similar to amphetamine (Jaccard=0.17) arformoterol focal_segmental_glomerulosclerosis GAP_LOW 0.1301 0.15 tamsulosin Low-priority: Computational docking arformoterol vs focal_segmental_glomerulosclerosis targets. Cross-check arformoterol pharmacophore against focal_segmental_glomerulosclerosis pathway. l-carnitine azoospermia GAP_LOW 0.1301 0.10714285714285714 bevantolol Low-priority: Computational docking l-carnitine vs azoospermia targets. Cross-check l-carnitine pharmacophore against azoospermia pathway. amlodipine membranous_glomerulonephritis GAP_LOW 0.1301 0.1 naftifine Low-priority: Computational docking amlodipine vs membranous_glomerulonephritis targets. Cross-check amlodipine pharmacophore against membranous_glomerulonephritis pathway. travoprost germ_cell_cancer GAP_LOW 0.1301 0.1 prednicarbate Low-priority: Computational docking travoprost vs germ_cell_cancer targets. Cross-check travoprost pharmacophore against germ_cell_cancer pathway. valsartan endogenous_depression GAP_LOW 0.1301 0.1 aspartame Low-priority: Computational docking valsartan vs endogenous_depression targets. Cross-check valsartan pharmacophore against endogenous_depression pathway. valsartan uterine_cancer GAP_LOW 0.1301 0.1 aspartame Low-priority: Computational docking valsartan vs uterine_cancer targets. Cross-check valsartan pharmacophore against uterine_cancer pathway. olmesartan pancreatitis GAP_LOW 0.1301 0.09090909090909091 cinnarizine Low-priority: Computational docking olmesartan vs pancreatitis targets. Cross-check olmesartan pharmacophore against pancreatitis pathway. calcium_acetate asthma GAP_LOW 0.1301 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs asthma targets. Cross-check calcium_acetate pharmacophore against asthma pathway. glimepiride thyroid_cancer GAP_LOW 0.1301 0.07692307692307693 procarbazine Low-priority: Computational docking glimepiride vs thyroid_cancer targets. Cross-check glimepiride pharmacophore against thyroid_cancer pathway. zolmitriptan primary_biliary_cirrhosis GAP_LOW 0.1301 0.07692307692307693 atropine Low-priority: Computational docking zolmitriptan vs primary_biliary_cirrhosis targets. Cross-check zolmitriptan pharmacophore against primary_biliary_cirrhosis pathway. glipizide head_and_neck_cancer GAP_LOW 0.1301 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs head_and_neck_cancer targets. Cross-check glipizide pharmacophore against head_and_neck_cancer pathway. glipizide malignant_glioma GAP_LOW 0.1301 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs malignant_glioma targets. Cross-check glipizide pharmacophore against malignant_glioma pathway. irbesartan gout GAP_LOW 0.1301 0.07142857142857142 gliclazide Low-priority: Computational docking irbesartan vs gout targets. Cross-check irbesartan pharmacophore against gout pathway. acetylcysteine thyroid_cancer GAP_LOW 0.1301 0.047619047619047616 dextrothyroxine Low-priority: Computational docking acetylcysteine vs thyroid_cancer targets. Cross-check acetylcysteine pharmacophore against thyroid_cancer pathway. l-methionine bone_cancer GAP_LOW 0.1301 0.020833333333333332 tetrahydrofolic_acid Low-priority: Computational docking l-methionine vs bone_cancer targets. Cross-check l-methionine pharmacophore against bone_cancer pathway. glutethimide acquired_immunodeficiency_syndrome GAP_LOW 0.1301 0.0 mitiglinide Low-priority: Computational docking glutethimide vs acquired_immunodeficiency_syndrome targets. Cross-check glutethimide pharmacophore against acquired_immunodeficiency_syndrome pathway. methylphenobarbital acquired_immunodeficiency_syndrome GAP_LOW 0.1301 0.0 mitiglinide Low-priority: Computational docking methylphenobarbital vs acquired_immunodeficiency_syndrome targets. Cross-check methylphenobarbital pharmacophore against acquired_immunodeficiency_syndrome pathway. orlistat malignant_mesothelioma GAP_LOW 0.1301 0.0 hydrocortisone Low-priority: Computational docking orlistat vs malignant_mesothelioma targets. Cross-check orlistat pharmacophore against malignant_mesothelioma pathway. promazine thyroid_cancer GAP_HIGH 0.13 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in thyroid_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) mazindol chronic_obstructive_pulmonary_disease GAP_HIGH 0.13 0.425 loxapine High-priority: Binding assay mazindol→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to loxapine (Jaccard=0.42) naftifine ocular_cancer GAP_HIGH 0.13 0.41379310344827586 methadone High-priority: Binding assay naftifine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.41) mefenamic_acid liver_cancer GAP_HIGH 0.13 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) aprindine systemic_scleroderma GAP_HIGH 0.13 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in systemic_scleroderma cell model. Expected: similar to desipramine (Jaccard=0.33) oxazepam vascular_cancer GAP_HIGH 0.13 0.3076923076923077 trifluoperazine High-priority: Binding assay oxazepam→?; validate in vascular_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.31) benzatropine meningioma GAP_HIGH 0.13 0.30434782608695654 diphenylpyraline High-priority: Binding assay benzatropine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.30) sulfapyridine restless_legs_syndrome GAP_HIGH 0.13 0.2916666666666667 olsalazine High-priority: Binding assay sulfapyridine→?; validate in restless_legs_syndrome cell model. Expected: similar to olsalazine (Jaccard=0.29) flunarizine hypertension GAP_HIGH 0.13 0.2727272727272727 papaverine High-priority: Binding assay flunarizine→?; validate in hypertension cell model. Expected: similar to papaverine (Jaccard=0.27) lapatinib metabolic_syndrome_x GAP_HIGH 0.13 0.2727272727272727 lidocaine High-priority: Binding assay lapatinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to lidocaine (Jaccard=0.27) pomalidomide breast_cancer GAP_HIGH 0.13 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in breast_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide conduct_disorder GAP_HIGH 0.13 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in conduct_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide panic_disorder GAP_HIGH 0.13 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in panic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide schizophrenia GAP_HIGH 0.13 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in schizophrenia cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine peripheral_nervous_system_neoplasm GAP_HIGH 0.13 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine urinary_bladder_cancer GAP_HIGH 0.13 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in urinary_bladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene sclerosing_cholangitis GAP_HIGH 0.13 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in sclerosing_cholangitis cell model. Expected: similar to loperamide (Jaccard=0.24) floxuridine larynx_cancer GAP_HIGH 0.13 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in larynx_cancer cell model. Expected: similar to methotrexate (Jaccard=0.20) codeine pancreatic_cancer GAP_HIGH 0.13 0.1875 bepridil High-priority: Binding assay codeine→?; validate in pancreatic_cancer cell model. Expected: similar to bepridil (Jaccard=0.19) nilotinib chronic_kidney_failure GAP_HIGH 0.13 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) melatonin celiac_disease GAP_HIGH 0.13 0.16666666666666666 atropine High-priority: Binding assay melatonin→?; validate in celiac_disease cell model. Expected: similar to atropine (Jaccard=0.17) tioguanine glaucoma GAP_LOW 0.13 0.14285714285714285 methacholine Low-priority: Computational docking tioguanine vs glaucoma targets. Cross-check tioguanine pharmacophore against glaucoma pathway. tolazamide creutzfeldt-jakob_disease GAP_LOW 0.13 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs creutzfeldt-jakob_disease targets. Cross-check tolazamide pharmacophore against creutzfeldt-jakob_disease pathway. amlodipine ulcerative_colitis GAP_LOW 0.13 0.13043478260869565 diphenylpyraline Low-priority: Computational docking amlodipine vs ulcerative_colitis targets. Cross-check amlodipine pharmacophore against ulcerative_colitis pathway. tropicamide malignant_glioma GAP_LOW 0.13 0.125 drospirenone Low-priority: Computational docking tropicamide vs malignant_glioma targets. Cross-check tropicamide pharmacophore against malignant_glioma pathway. aciclovir azoospermia GAP_LOW 0.13 0.1111111111111111 aprindine Low-priority: Computational docking aciclovir vs azoospermia targets. Cross-check aciclovir pharmacophore against azoospermia pathway. valsartan sarcoma GAP_LOW 0.13 0.1 aspartame Low-priority: Computational docking valsartan vs sarcoma targets. Cross-check valsartan pharmacophore against sarcoma pathway. valsartan ankylosing_spondylitis GAP_LOW 0.13 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs ankylosing_spondylitis targets. Cross-check valsartan pharmacophore against ankylosing_spondylitis pathway. valsartan melanoma GAP_LOW 0.13 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs melanoma targets. Cross-check valsartan pharmacophore against melanoma pathway. calcium_acetate allergic_rhinitis GAP_LOW 0.13 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs allergic_rhinitis targets. Cross-check calcium_acetate pharmacophore against allergic_rhinitis pathway. calcium_acetate atopic_dermatitis GAP_LOW 0.13 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs atopic_dermatitis targets. Cross-check calcium_acetate pharmacophore against atopic_dermatitis pathway. calcium_acetate colon_cancer GAP_LOW 0.13 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs colon_cancer targets. Cross-check calcium_acetate pharmacophore against colon_cancer pathway. olmesartan germ_cell_cancer GAP_LOW 0.13 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs germ_cell_cancer targets. Cross-check olmesartan pharmacophore against germ_cell_cancer pathway. estropipate type_1_diabetes_mellitus GAP_LOW 0.13 0.06666666666666667 betamethasone Low-priority: Computational docking estropipate vs type_1_diabetes_mellitus targets. Cross-check estropipate pharmacophore against type_1_diabetes_mellitus pathway. carprofen alopecia_areata GAP_LOW 0.13 0.0625 estradiol_valeratedienogest Low-priority: Computational docking carprofen vs alopecia_areata targets. Cross-check carprofen pharmacophore against alopecia_areata pathway. aminolevulinic_acid ankylosing_spondylitis GAP_LOW 0.13 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs ankylosing_spondylitis targets. Cross-check aminolevulinic_acid pharmacophore against ankylosing_spondylitis pathway. acetylcysteine coronary_artery_disease GAP_LOW 0.13 0.04 floctafenine Low-priority: Computational docking acetylcysteine vs coronary_artery_disease targets. Cross-check acetylcysteine pharmacophore against coronary_artery_disease pathway. methohexital refractive_error GAP_LOW 0.13 0.03333333333333333 sotalol Low-priority: Computational docking methohexital vs refractive_error targets. Cross-check methohexital pharmacophore against refractive_error pathway. amodiaquine acquired_immunodeficiency_syndrome GAP_LOW 0.13 0.027777777777777776 vidarabine Low-priority: Computational docking amodiaquine vs acquired_immunodeficiency_syndrome targets. Cross-check amodiaquine pharmacophore against acquired_immunodeficiency_syndrome pathway. carvedilol acquired_immunodeficiency_syndrome GAP_LOW 0.13 0.016129032258064516 adenosine_monophosphate Low-priority: Computational docking carvedilol vs acquired_immunodeficiency_syndrome targets. Cross-check carvedilol pharmacophore against acquired_immunodeficiency_syndrome pathway. fludiazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1299 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to pirenzepine (Jaccard=0.35) aprindine uterine_fibroid GAP_HIGH 0.1299 0.3333333333333333 desipramine High-priority: Binding assay aprindine→?; validate in uterine_fibroid cell model. Expected: similar to desipramine (Jaccard=0.33) antazoline pharynx_cancer GAP_HIGH 0.1299 0.28 diphenylpyraline High-priority: Binding assay antazoline→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) aprindine focal_segmental_glomerulosclerosis GAP_HIGH 0.1299 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to dimetacrine (Jaccard=0.28) tripelennamine sclerosing_cholangitis GAP_HIGH 0.1299 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.27) prednicarbate malignant_mesothelioma GAP_HIGH 0.1299 0.2631578947368421 fludrocortisone High-priority: Binding assay prednicarbate→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.26) loteprednol esophageal_cancer GAP_HIGH 0.1299 0.25 fulvestrant High-priority: Binding assay loteprednol→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.25) pomalidomide colon_cancer GAP_HIGH 0.1299 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in colon_cancer cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) alverine alcohol_dependence GAP_HIGH 0.1299 0.2 ethylmorphine High-priority: Binding assay alverine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.20) dapsone chronic_kidney_failure GAP_HIGH 0.1299 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in chronic_kidney_failure cell model. Expected: similar to methyclothiazide (Jaccard=0.18) codeine duodenum_cancer GAP_HIGH 0.1299 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.18) codeine gallbladder_cancer GAP_HIGH 0.1299 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.18) codeine melanoma GAP_HIGH 0.1299 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in melanoma cell model. Expected: similar to benzatropine (Jaccard=0.18) tenofovir coronary_artery_disease GAP_LOW 0.1299 0.14285714285714285 fluvastatin Low-priority: Computational docking tenofovir vs coronary_artery_disease targets. Cross-check tenofovir pharmacophore against coronary_artery_disease pathway. tolbutamide azoospermia GAP_LOW 0.1299 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs azoospermia targets. Cross-check tolbutamide pharmacophore against azoospermia pathway. ibuprofen asthma GAP_LOW 0.1299 0.1111111111111111 isocarboxazid Low-priority: Computational docking ibuprofen vs asthma targets. Cross-check ibuprofen pharmacophore against asthma pathway. olmesartan uterine_fibroid GAP_LOW 0.1299 0.1 aspartame Low-priority: Computational docking olmesartan vs uterine_fibroid targets. Cross-check olmesartan pharmacophore against uterine_fibroid pathway. captopril azoospermia GAP_LOW 0.1299 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking captopril vs azoospermia targets. Cross-check captopril pharmacophore against azoospermia pathway. benzthiazide gilles_de_la_tourette_syndrome GAP_LOW 0.1299 0.07692307692307693 mazindol Low-priority: Computational docking benzthiazide vs gilles_de_la_tourette_syndrome targets. Cross-check benzthiazide pharmacophore against gilles_de_la_tourette_syndrome pathway. calcium_acetate pancreatic_cancer GAP_LOW 0.1299 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs pancreatic_cancer targets. Cross-check calcium_acetate pharmacophore against pancreatic_cancer pathway. glipizide refractive_error GAP_LOW 0.1299 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs refractive_error targets. Cross-check glipizide pharmacophore against refractive_error pathway. sulpiride larynx_cancer GAP_LOW 0.1299 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs larynx_cancer targets. Cross-check sulpiride pharmacophore against larynx_cancer pathway. aminolevulinic_acid urinary_bladder_cancer GAP_LOW 0.1299 0.05555555555555555 vorinostat Low-priority: Computational docking aminolevulinic_acid vs urinary_bladder_cancer targets. Cross-check aminolevulinic_acid pharmacophore against urinary_bladder_cancer pathway. butabarbital germ_cell_cancer GAP_LOW 0.1299 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs germ_cell_cancer targets. Cross-check butabarbital pharmacophore against germ_cell_cancer pathway. dinoprost_tromethamine hepatitis_b GAP_LOW 0.1299 0.04 glucosamine Low-priority: Computational docking dinoprost_tromethamine vs hepatitis_b targets. Cross-check dinoprost_tromethamine pharmacophore against hepatitis_b pathway. aminolevulinic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1299 0.015151515151515152 fenoprofen Low-priority: Computational docking aminolevulinic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check aminolevulinic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. tolterodine rectum_cancer GAP_HIGH 0.1298 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.30) probenecid ovarian_cancer GAP_HIGH 0.1298 0.2857142857142857 methylphenidate High-priority: Binding assay probenecid→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) atropine brain_cancer GAP_HIGH 0.1298 0.25 alclometasone High-priority: Binding assay atropine→?; validate in brain_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) atropine intracranial_aneurysm GAP_HIGH 0.1298 0.25 alclometasone High-priority: Binding assay atropine→?; validate in intracranial_aneurysm cell model. Expected: similar to alclometasone (Jaccard=0.25) pomalidomide bipolar_disorder GAP_HIGH 0.1298 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in bipolar_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) droperidol hypertension GAP_HIGH 0.1298 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in hypertension cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol stomach_cancer GAP_HIGH 0.1298 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in stomach_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) conjugated_estrogens pancreatitis GAP_HIGH 0.1298 0.2222222222222222 fulvestrant High-priority: Binding assay conjugated_estrogens→?; validate in pancreatitis cell model. Expected: similar to fulvestrant (Jaccard=0.22) difenoxin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1298 0.2222222222222222 ifenprodil High-priority: Binding assay difenoxin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.22) benzocaine uterine_cancer GAP_HIGH 0.1298 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in uterine_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dienestrol muscle_cancer GAP_HIGH 0.1298 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in muscle_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) melatonin muscle_cancer GAP_HIGH 0.1298 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.20) olanzapine bone_cancer GAP_LOW 0.1298 0.125 alendronate Low-priority: Computational docking olanzapine vs bone_cancer targets. Cross-check olanzapine pharmacophore against bone_cancer pathway. tropicamide nephrolithiasis GAP_LOW 0.1298 0.125 drospirenone Low-priority: Computational docking tropicamide vs nephrolithiasis targets. Cross-check tropicamide pharmacophore against nephrolithiasis pathway. ibuprofen allergic_rhinitis GAP_LOW 0.1298 0.1111111111111111 isocarboxazid Low-priority: Computational docking ibuprofen vs allergic_rhinitis targets. Cross-check ibuprofen pharmacophore against allergic_rhinitis pathway. bimatoprost larynx_cancer GAP_LOW 0.1298 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs larynx_cancer targets. Cross-check bimatoprost pharmacophore against larynx_cancer pathway. olmesartan lung_cancer GAP_LOW 0.1298 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs lung_cancer targets. Cross-check olmesartan pharmacophore against lung_cancer pathway. olmesartan rectum_cancer GAP_LOW 0.1298 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs rectum_cancer targets. Cross-check olmesartan pharmacophore against rectum_cancer pathway. valsartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1298 0.09090909090909091 cinnarizine Low-priority: Computational docking valsartan vs chronic_obstructive_pulmonary_disease targets. Cross-check valsartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. amodiaquine celiac_disease GAP_LOW 0.1298 0.08571428571428572 pseudoephedrine Low-priority: Computational docking amodiaquine vs celiac_disease targets. Cross-check amodiaquine pharmacophore against celiac_disease pathway. calcium_acetate psoriasis GAP_LOW 0.1298 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs psoriasis targets. Cross-check calcium_acetate pharmacophore against psoriasis pathway. calcium_acetate ulcerative_colitis GAP_LOW 0.1298 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs ulcerative_colitis targets. Cross-check calcium_acetate pharmacophore against ulcerative_colitis pathway. epinephrine acquired_immunodeficiency_syndrome GAP_LOW 0.1298 0.07692307692307693 lisinopril Low-priority: Computational docking epinephrine vs acquired_immunodeficiency_syndrome targets. Cross-check epinephrine pharmacophore against acquired_immunodeficiency_syndrome pathway. hydrochlorothiazide alcohol_dependence GAP_LOW 0.1298 0.07692307692307693 mazindol Low-priority: Computational docking hydrochlorothiazide vs alcohol_dependence targets. Cross-check hydrochlorothiazide pharmacophore against alcohol_dependence pathway. aminolevulinic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1298 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check aminolevulinic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. azatadine hypothyroidism GAP_LOW 0.1298 0.0 methimazole Low-priority: Computational docking azatadine vs hypothyroidism targets. Cross-check azatadine pharmacophore against hypothyroidism pathway. benzphetamine hypothyroidism GAP_LOW 0.1298 0.0 methimazole Low-priority: Computational docking benzphetamine vs hypothyroidism targets. Cross-check benzphetamine pharmacophore against hypothyroidism pathway. l-serine hypothyroidism GAP_LOW 0.1298 0.0 methimazole Low-priority: Computational docking l-serine vs hypothyroidism targets. Cross-check l-serine pharmacophore against hypothyroidism pathway. propofol glaucoma GAP_LOW 0.1298 0.0 pirbuterol Low-priority: Computational docking propofol vs glaucoma targets. Cross-check propofol pharmacophore against glaucoma pathway. salicylic_acid hypothyroidism GAP_LOW 0.1298 0.0 methimazole Low-priority: Computational docking salicylic_acid vs hypothyroidism targets. Cross-check salicylic_acid pharmacophore against hypothyroidism pathway. tolterodine hypothyroidism GAP_LOW 0.1298 0.0 methimazole Low-priority: Computational docking tolterodine vs hypothyroidism targets. Cross-check tolterodine pharmacophore against hypothyroidism pathway. drospirenone malignant_mesothelioma GAP_HIGH 0.1297 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in malignant_mesothelioma cell model. Expected: similar to fludrocortisone (Jaccard=0.43) flurbiprofen pancreatitis GAP_HIGH 0.1297 0.4117647058823529 chlorpromazine High-priority: Binding assay flurbiprofen→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.41) salicylate-sodium refractive_error GAP_HIGH 0.1297 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in refractive_error cell model. Expected: similar to droxidopa (Jaccard=0.33) diclofenac asthma GAP_HIGH 0.1297 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in asthma cell model. Expected: similar to clozapine (Jaccard=0.31) methadyl_acetate penile_cancer GAP_HIGH 0.1297 0.2608695652173913 methadone High-priority: Binding assay methadyl_acetate→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.26) melphalan membranous_glomerulonephritis GAP_HIGH 0.1297 0.2571428571428571 fenoprofen High-priority: Binding assay melphalan→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.26) floxuridine breast_cancer GAP_HIGH 0.1297 0.25 lamivudine High-priority: Binding assay floxuridine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) pomalidomide endogenous_depression GAP_HIGH 0.1297 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in endogenous_depression cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide osteoporosis GAP_HIGH 0.1297 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in osteoporosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide ulcerative_colitis GAP_HIGH 0.1297 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in ulcerative_colitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) droperidol pancreatic_cancer GAP_HIGH 0.1297 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in pancreatic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene pharynx_cancer GAP_HIGH 0.1297 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone duodenum_cancer GAP_HIGH 0.1297 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in duodenum_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) naloxone gallbladder_cancer GAP_HIGH 0.1297 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in gallbladder_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) dienestrol lung_cancer GAP_HIGH 0.1297 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in lung_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol rectum_cancer GAP_HIGH 0.1297 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in rectum_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) difenoxin glaucoma GAP_HIGH 0.1297 0.2 bevantolol High-priority: Binding assay difenoxin→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.20) proparacaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1297 0.2 tranylcypromine High-priority: Binding assay proparacaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.20) entecavir head_and_neck_cancer GAP_HIGH 0.1297 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.17) entecavir malignant_glioma GAP_HIGH 0.1297 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.17) benzocaine hepatitis_b GAP_LOW 0.1297 0.14285714285714285 pentostatin Low-priority: Computational docking benzocaine vs hepatitis_b targets. Cross-check benzocaine pharmacophore against hepatitis_b pathway. tolazamide testicular_cancer GAP_LOW 0.1297 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs testicular_cancer targets. Cross-check tolazamide pharmacophore against testicular_cancer pathway. tolazamide vaginal_cancer GAP_LOW 0.1297 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs vaginal_cancer targets. Cross-check tolazamide pharmacophore against vaginal_cancer pathway. tolazamide vulva_cancer GAP_LOW 0.1297 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs vulva_cancer targets. Cross-check tolazamide pharmacophore against vulva_cancer pathway. clofibrate pharynx_cancer GAP_LOW 0.1297 0.125 alclometasone Low-priority: Computational docking clofibrate vs pharynx_cancer targets. Cross-check clofibrate pharmacophore against pharynx_cancer pathway. latanoprost celiac_disease GAP_LOW 0.1297 0.1111111111111111 suprofen Low-priority: Computational docking latanoprost vs celiac_disease targets. Cross-check latanoprost pharmacophore against celiac_disease pathway. tafluprost gout GAP_LOW 0.1297 0.1111111111111111 suprofen Low-priority: Computational docking tafluprost vs gout targets. Cross-check tafluprost pharmacophore against gout pathway. amodiaquine meningioma GAP_LOW 0.1297 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs meningioma targets. Cross-check amodiaquine pharmacophore against meningioma pathway. olmesartan alzheimers_disease GAP_LOW 0.1297 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs alzheimers_disease targets. Cross-check olmesartan pharmacophore against alzheimers_disease pathway. olmesartan liver_cancer GAP_LOW 0.1297 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs liver_cancer targets. Cross-check olmesartan pharmacophore against liver_cancer pathway. olmesartan parkinsons_disease GAP_LOW 0.1297 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs parkinsons_disease targets. Cross-check olmesartan pharmacophore against parkinsons_disease pathway. calcium_acetate multiple_sclerosis GAP_LOW 0.1297 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs multiple_sclerosis targets. Cross-check calcium_acetate pharmacophore against multiple_sclerosis pathway. calcium_acetate osteoporosis GAP_LOW 0.1297 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs osteoporosis targets. Cross-check calcium_acetate pharmacophore against osteoporosis pathway. eprosartan chronic_kidney_failure GAP_LOW 0.1297 0.07142857142857142 clotrimazole Low-priority: Computational docking eprosartan vs chronic_kidney_failure targets. Cross-check eprosartan pharmacophore against chronic_kidney_failure pathway. glisoxepide head_and_neck_cancer GAP_LOW 0.1297 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs head_and_neck_cancer targets. Cross-check glisoxepide pharmacophore against head_and_neck_cancer pathway. glisoxepide malignant_glioma GAP_LOW 0.1297 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs malignant_glioma targets. Cross-check glisoxepide pharmacophore against malignant_glioma pathway. zolmitriptan nephrolithiasis GAP_LOW 0.1297 0.05555555555555555 spironolactone Low-priority: Computational docking zolmitriptan vs nephrolithiasis targets. Cross-check zolmitriptan pharmacophore against nephrolithiasis pathway. clenbuterol chronic_kidney_failure GAP_LOW 0.1297 0.045454545454545456 acetylsalicylic_acid Low-priority: Computational docking clenbuterol vs chronic_kidney_failure targets. Cross-check clenbuterol pharmacophore against chronic_kidney_failure pathway. methadone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1296 0.5161290322580645 diphenhydramine High-priority: Binding assay methadone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.52) promazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1296 0.4666666666666667 diphenhydramine High-priority: Binding assay promazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.47) bromfenac pharynx_cancer GAP_HIGH 0.1296 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) l-dopa metabolic_syndrome_x GAP_HIGH 0.1296 0.375 levonordefrin High-priority: Binding assay l-dopa→?; validate in metabolic_syndrome_x cell model. Expected: similar to levonordefrin (Jaccard=0.38) isopropamide vaginal_cancer GAP_HIGH 0.1296 0.35714285714285715 alverine High-priority: Binding assay isopropamide→?; validate in vaginal_cancer cell model. Expected: similar to alverine (Jaccard=0.36) diclofenac atopic_dermatitis GAP_HIGH 0.1296 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in atopic_dermatitis cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac colon_cancer GAP_HIGH 0.1296 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in colon_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac stomach_cancer GAP_HIGH 0.1296 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) phenprocoumon gilles_de_la_tourette_syndrome GAP_HIGH 0.1296 0.3 reboxetine High-priority: Binding assay phenprocoumon→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to reboxetine (Jaccard=0.30) raloxifene ankylosing_spondylitis GAP_HIGH 0.1296 0.3 azatadine High-priority: Binding assay raloxifene→?; validate in ankylosing_spondylitis cell model. Expected: similar to azatadine (Jaccard=0.30) tolterodine liver_cancer GAP_HIGH 0.1296 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.30) cinnarizine azoospermia GAP_HIGH 0.1296 0.2857142857142857 mepenzolate High-priority: Binding assay cinnarizine→?; validate in azoospermia cell model. Expected: similar to mepenzolate (Jaccard=0.29) ketorolac creutzfeldt-jakob_disease GAP_HIGH 0.1296 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) tranylcypromine rectum_cancer GAP_HIGH 0.1296 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) lapatinib obesity GAP_HIGH 0.1296 0.2727272727272727 lidocaine High-priority: Binding assay lapatinib→?; validate in obesity cell model. Expected: similar to lidocaine (Jaccard=0.27) sulfadiazine polycystic_ovary_syndrome GAP_HIGH 0.1296 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) sulfadiazine type_2_diabetes_mellitus GAP_HIGH 0.1296 0.26666666666666666 salicylate-sodium High-priority: Binding assay sulfadiazine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salicylate-sodium (Jaccard=0.27) pomalidomide migraine GAP_HIGH 0.1296 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in migraine cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) pomalidomide multiple_sclerosis GAP_HIGH 0.1296 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in multiple_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) droperidol ulcerative_colitis GAP_HIGH 0.1296 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in ulcerative_colitis cell model. Expected: similar to loperamide (Jaccard=0.24) lapatinib celiac_disease GAP_HIGH 0.1296 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in celiac_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) dimetindene celiac_disease GAP_HIGH 0.1296 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.22) droperidol chronic_kidney_failure GAP_HIGH 0.1296 0.2 nefazodone High-priority: Binding assay droperidol→?; validate in chronic_kidney_failure cell model. Expected: similar to nefazodone (Jaccard=0.20) ketazolam penile_cancer GAP_HIGH 0.1296 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) l-citrulline pharynx_cancer GAP_HIGH 0.1296 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in pharynx_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) codeine sclerosing_cholangitis GAP_HIGH 0.1296 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in sclerosing_cholangitis cell model. Expected: similar to benzatropine (Jaccard=0.18) tamsulosin esophageal_cancer GAP_HIGH 0.1296 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) tolazamide vascular_cancer GAP_LOW 0.1296 0.14285714285714285 procarbazine Low-priority: Computational docking tolazamide vs vascular_cancer targets. Cross-check tolazamide pharmacophore against vascular_cancer pathway. midodrine crohns_disease GAP_LOW 0.1296 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs crohns_disease targets. Cross-check midodrine pharmacophore against crohns_disease pathway. olmesartan amyotrophic_lateral_sclerosis GAP_LOW 0.1296 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs amyotrophic_lateral_sclerosis targets. Cross-check olmesartan pharmacophore against amyotrophic_lateral_sclerosis pathway. valsartan pancreatitis GAP_LOW 0.1296 0.09090909090909091 cinnarizine Low-priority: Computational docking valsartan vs pancreatitis targets. Cross-check valsartan pharmacophore against pancreatitis pathway. dinoprostone type_1_diabetes_mellitus GAP_LOW 0.1296 0.06666666666666667 olsalazine Low-priority: Computational docking dinoprostone vs type_1_diabetes_mellitus targets. Cross-check dinoprostone pharmacophore against type_1_diabetes_mellitus pathway. tetracycline crohns_disease GAP_LOW 0.1296 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs crohns_disease targets. Cross-check tetracycline pharmacophore against crohns_disease pathway. aminolevulinic_acid pancreatitis GAP_LOW 0.1296 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs pancreatitis targets. Cross-check aminolevulinic_acid pharmacophore against pancreatitis pathway. acetylcysteine sclerosing_cholangitis GAP_LOW 0.1296 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs sclerosing_cholangitis targets. Cross-check acetylcysteine pharmacophore against sclerosing_cholangitis pathway. solifenacin malaria GAP_LOW 0.1296 0.023809523809523808 phensuximide Low-priority: Computational docking solifenacin vs malaria targets. Cross-check solifenacin pharmacophore against malaria pathway. acetylcysteine hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking acetylcysteine vs hepatitis_b targets. Cross-check acetylcysteine pharmacophore against hepatitis_b pathway. amobarbital hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking amobarbital vs hepatitis_b targets. Cross-check amobarbital pharmacophore against hepatitis_b pathway. dextrothyroxine hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking dextrothyroxine vs hepatitis_b targets. Cross-check dextrothyroxine pharmacophore against hepatitis_b pathway. dihomo-gamma-linolenic_acid hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking dihomo-gamma-linolenic_acid vs hepatitis_b targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against hepatitis_b pathway. lubiprostone hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking lubiprostone vs hepatitis_b targets. Cross-check lubiprostone pharmacophore against hepatitis_b pathway. penicillamine hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking penicillamine vs hepatitis_b targets. Cross-check penicillamine pharmacophore against hepatitis_b pathway. propofol brain_cancer GAP_LOW 0.1296 0.0 hydrocortisone Low-priority: Computational docking propofol vs brain_cancer targets. Cross-check propofol pharmacophore against brain_cancer pathway. propofol intracranial_aneurysm GAP_LOW 0.1296 0.0 hydrocortisone Low-priority: Computational docking propofol vs intracranial_aneurysm targets. Cross-check propofol pharmacophore against intracranial_aneurysm pathway. sodium_tetradecyl_sulfate hepatitis_b GAP_LOW 0.1296 0.0 mitiglinide Low-priority: Computational docking sodium_tetradecyl_sulfate vs hepatitis_b targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against hepatitis_b pathway. promazine muscle_cancer GAP_HIGH 0.1295 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in muscle_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) spironolactone pharynx_cancer GAP_HIGH 0.1295 0.3888888888888889 progesterone High-priority: Binding assay spironolactone→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.39) cyclopentolate mediastinal_cancer GAP_HIGH 0.1295 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) chloroprocaine colon_cancer GAP_HIGH 0.1295 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.31) diclofenac pancreatic_cancer GAP_HIGH 0.1295 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) isopropamide focal_segmental_glomerulosclerosis GAP_HIGH 0.1295 0.3076923076923077 promethazine High-priority: Binding assay isopropamide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.31) bromodiphenhydramine mediastinal_cancer GAP_HIGH 0.1295 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) bromodiphenhydramine primary_biliary_cirrhosis GAP_HIGH 0.1295 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.30) fulvestrant meningioma GAP_HIGH 0.1295 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in meningioma cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) alverine malaria GAP_HIGH 0.1295 0.25 modafinil High-priority: Binding assay alverine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.25) phenindione meningioma GAP_HIGH 0.1295 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.24) bepotastine hypertension GAP_HIGH 0.1295 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in hypertension cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine stomach_cancer GAP_HIGH 0.1295 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in stomach_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol osteoporosis GAP_HIGH 0.1295 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in osteoporosis cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol uterine_cancer GAP_HIGH 0.1295 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in uterine_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) lapatinib chronic_kidney_failure GAP_HIGH 0.1295 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) diphemanil_methylsulfate alcohol_dependence GAP_HIGH 0.1295 0.2222222222222222 levorphanol High-priority: Binding assay diphemanil_methylsulfate→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.22) etonogestrel primary_biliary_cirrhosis GAP_HIGH 0.1295 0.2222222222222222 dexamethasone High-priority: Binding assay etonogestrel→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to dexamethasone (Jaccard=0.22) dienestrol liver_cancer GAP_HIGH 0.1295 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in liver_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) melatonin amyotrophic_lateral_sclerosis GAP_HIGH 0.1295 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to nefazodone (Jaccard=0.20) melatonin nicotine_dependence GAP_HIGH 0.1295 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in nicotine_dependence cell model. Expected: similar to nefazodone (Jaccard=0.20) dapsone esophageal_cancer GAP_HIGH 0.1295 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) trilostane alcohol_dependence GAP_LOW 0.1295 0.125 levorphanol Low-priority: Computational docking trilostane vs alcohol_dependence targets. Cross-check trilostane pharmacophore against alcohol_dependence pathway. tafluprost coronary_artery_disease GAP_LOW 0.1295 0.1111111111111111 suprofen Low-priority: Computational docking tafluprost vs coronary_artery_disease targets. Cross-check tafluprost pharmacophore against coronary_artery_disease pathway. tafluprost narcolepsy GAP_LOW 0.1295 0.1111111111111111 suprofen Low-priority: Computational docking tafluprost vs narcolepsy targets. Cross-check tafluprost pharmacophore against narcolepsy pathway. valsartan vaginal_cancer GAP_LOW 0.1295 0.1 aspartame Low-priority: Computational docking valsartan vs vaginal_cancer targets. Cross-check valsartan pharmacophore against vaginal_cancer pathway. valsartan vulva_cancer GAP_LOW 0.1295 0.1 aspartame Low-priority: Computational docking valsartan vs vulva_cancer targets. Cross-check valsartan pharmacophore against vulva_cancer pathway. azacitidine bone_cancer GAP_LOW 0.1295 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking azacitidine vs bone_cancer targets. Cross-check azacitidine pharmacophore against bone_cancer pathway. tolazamide hepatitis_b GAP_LOW 0.1295 0.09090909090909091 aciclovir Low-priority: Computational docking tolazamide vs hepatitis_b targets. Cross-check tolazamide pharmacophore against hepatitis_b pathway. olmesartan thyroid_cancer GAP_LOW 0.1295 0.08695652173913043 procaine Low-priority: Computational docking olmesartan vs thyroid_cancer targets. Cross-check olmesartan pharmacophore against thyroid_cancer pathway. dapsone gestational_diabetes GAP_LOW 0.1295 0.07692307692307693 glisoxepide Low-priority: Computational docking dapsone vs gestational_diabetes targets. Cross-check dapsone pharmacophore against gestational_diabetes pathway. butabarbital salivary_gland_cancer GAP_LOW 0.1295 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs salivary_gland_cancer targets. Cross-check butabarbital pharmacophore against salivary_gland_cancer pathway. glisoxepide refractive_error GAP_LOW 0.1295 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs refractive_error targets. Cross-check glisoxepide pharmacophore against refractive_error pathway. tafluprost larynx_cancer GAP_LOW 0.1295 0.06666666666666667 procarbazine Low-priority: Computational docking tafluprost vs larynx_cancer targets. Cross-check tafluprost pharmacophore against larynx_cancer pathway. isradipine atherosclerosis GAP_LOW 0.1295 0.05555555555555555 phenelzine Low-priority: Computational docking isradipine vs atherosclerosis targets. Cross-check isradipine pharmacophore against atherosclerosis pathway. glutethimide glaucoma GAP_LOW 0.1295 0.05263157894736842 bevantolol Low-priority: Computational docking glutethimide vs glaucoma targets. Cross-check glutethimide pharmacophore against glaucoma pathway. epinephrine gestational_diabetes GAP_LOW 0.1295 0.038461538461538464 bezafibrate Low-priority: Computational docking epinephrine vs gestational_diabetes targets. Cross-check epinephrine pharmacophore against gestational_diabetes pathway. orlistat meningioma GAP_LOW 0.1295 0.0 hydrocortisone Low-priority: Computational docking orlistat vs meningioma targets. Cross-check orlistat pharmacophore against meningioma pathway. pipotiazine malignant_mesothelioma GAP_HIGH 0.1294 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.44) nateglinide pancreatitis GAP_HIGH 0.1294 0.43478260869565216 bethanidine High-priority: Binding assay nateglinide→?; validate in pancreatitis cell model. Expected: similar to bethanidine (Jaccard=0.43) mazindol rectum_cancer GAP_HIGH 0.1294 0.425 loxapine High-priority: Binding assay mazindol→?; validate in rectum_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) triflupromazine vitiligo GAP_HIGH 0.1294 0.4 acepromazine High-priority: Binding assay triflupromazine→?; validate in vitiligo cell model. Expected: similar to acepromazine (Jaccard=0.40) oxaprozin malignant_mesothelioma GAP_HIGH 0.1294 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.38) mefenamic_acid colon_cancer GAP_HIGH 0.1294 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in colon_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) fludiazepam lung_cancer GAP_HIGH 0.1294 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in lung_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) fludiazepam rectum_cancer GAP_HIGH 0.1294 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in rectum_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) l-dopa crohns_disease GAP_HIGH 0.1294 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in crohns_disease cell model. Expected: similar to carbidopa (Jaccard=0.35) cyclopentolate thymus_cancer GAP_HIGH 0.1294 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) bromodiphenhydramine thymus_cancer GAP_HIGH 0.1294 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) tolterodine peripheral_nervous_system_neoplasm GAP_HIGH 0.1294 0.3 cyclopentolate High-priority: Binding assay tolterodine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.30) lapatinib systemic_scleroderma GAP_HIGH 0.1294 0.2727272727272727 erlotinib High-priority: Binding assay lapatinib→?; validate in systemic_scleroderma cell model. Expected: similar to erlotinib (Jaccard=0.27) phenindione thyroid_cancer GAP_HIGH 0.1294 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) pomalidomide systemic_lupus_erythematosus GAP_HIGH 0.1294 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine pancreatic_cancer GAP_HIGH 0.1294 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in pancreatic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine ulcerative_colitis GAP_HIGH 0.1294 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in ulcerative_colitis cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol sarcoma GAP_HIGH 0.1294 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in sarcoma cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene thyroid_cancer GAP_HIGH 0.1294 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in thyroid_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine melanoma GAP_HIGH 0.1294 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.22) benzocaine skin_cancer GAP_HIGH 0.1294 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in skin_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) danazol larynx_cancer GAP_HIGH 0.1294 0.2 docetaxel High-priority: Binding assay danazol→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.20) codeine skin_cancer GAP_HIGH 0.1294 0.1875 bepridil High-priority: Binding assay codeine→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.19) tolazamide epilepsy_syndrome GAP_LOW 0.1294 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs epilepsy_syndrome targets. Cross-check tolazamide pharmacophore against epilepsy_syndrome pathway. captopril crohns_disease GAP_LOW 0.1294 0.1 sorafenib Low-priority: Computational docking captopril vs crohns_disease targets. Cross-check captopril pharmacophore against crohns_disease pathway. valsartan testicular_cancer GAP_LOW 0.1294 0.1 aspartame Low-priority: Computational docking valsartan vs testicular_cancer targets. Cross-check valsartan pharmacophore against testicular_cancer pathway. quinestrol focal_segmental_glomerulosclerosis GAP_LOW 0.1294 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs focal_segmental_glomerulosclerosis targets. Cross-check quinestrol pharmacophore against focal_segmental_glomerulosclerosis pathway. choline atherosclerosis GAP_LOW 0.1294 0.09090909090909091 floctafenine Low-priority: Computational docking choline vs atherosclerosis targets. Cross-check choline pharmacophore against atherosclerosis pathway. l-carnitine type_1_diabetes_mellitus GAP_LOW 0.1294 0.09090909090909091 cyclandelate Low-priority: Computational docking l-carnitine vs type_1_diabetes_mellitus targets. Cross-check l-carnitine pharmacophore against type_1_diabetes_mellitus pathway. glisoxepide narcolepsy GAP_LOW 0.1294 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs narcolepsy targets. Cross-check glisoxepide pharmacophore against narcolepsy pathway. carboprost_tromethamine creutzfeldt-jakob_disease GAP_LOW 0.1294 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs creutzfeldt-jakob_disease targets. Cross-check carboprost_tromethamine pharmacophore against creutzfeldt-jakob_disease pathway. sulpiride gilles_de_la_tourette_syndrome GAP_LOW 0.1294 0.07692307692307693 alvimopan Low-priority: Computational docking sulpiride vs gilles_de_la_tourette_syndrome targets. Cross-check sulpiride pharmacophore against gilles_de_la_tourette_syndrome pathway. desogestrel leprosy GAP_LOW 0.1294 0.07142857142857142 menadione Low-priority: Computational docking desogestrel vs leprosy targets. Cross-check desogestrel pharmacophore against leprosy pathway. valsartan malignant_mesothelioma GAP_LOW 0.1294 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs malignant_mesothelioma targets. Cross-check valsartan pharmacophore against malignant_mesothelioma pathway. calcium_acetate coronary_artery_disease GAP_LOW 0.1294 0.06666666666666667 floctafenine Low-priority: Computational docking calcium_acetate vs coronary_artery_disease targets. Cross-check calcium_acetate pharmacophore against coronary_artery_disease pathway. calcium_acetate hematologic_cancer GAP_LOW 0.1294 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs hematologic_cancer targets. Cross-check calcium_acetate pharmacophore against hematologic_cancer pathway. estropipate focal_segmental_glomerulosclerosis GAP_LOW 0.1294 0.0625 toremifene Low-priority: Computational docking estropipate vs focal_segmental_glomerulosclerosis targets. Cross-check estropipate pharmacophore against focal_segmental_glomerulosclerosis pathway. aminolevulinic_acid stomach_cancer GAP_LOW 0.1294 0.05555555555555555 vorinostat Low-priority: Computational docking aminolevulinic_acid vs stomach_cancer targets. Cross-check aminolevulinic_acid pharmacophore against stomach_cancer pathway. travoprost gestational_diabetes GAP_LOW 0.1294 0.04 bezafibrate Low-priority: Computational docking travoprost vs gestational_diabetes targets. Cross-check travoprost pharmacophore against gestational_diabetes pathway. methadone germ_cell_cancer GAP_HIGH 0.1293 0.5 toremifene High-priority: Binding assay methadone→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.50) mazindol liver_cancer GAP_HIGH 0.1293 0.425 loxapine High-priority: Binding assay mazindol→?; validate in liver_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) bromfenac thyroid_cancer GAP_HIGH 0.1293 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) mefenamic_acid stomach_cancer GAP_HIGH 0.1293 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in stomach_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) brompheniramine melanoma GAP_HIGH 0.1293 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.33) methotrexate hematologic_cancer GAP_HIGH 0.1293 0.3333333333333333 flavin_adenine_dinucleotide High-priority: Binding assay methotrexate→?; validate in hematologic_cancer cell model. Expected: similar to flavin_adenine_dinucleotide (Jaccard=0.33) moricizine crohns_disease GAP_HIGH 0.1293 0.3333333333333333 pirenzepine High-priority: Binding assay moricizine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.33) chloroprocaine psoriasis GAP_HIGH 0.1293 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.31) chloroprocaine ulcerative_colitis GAP_HIGH 0.1293 0.3125 sulfanilamide High-priority: Binding assay chloroprocaine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.31) diclofenac ovarian_cancer GAP_HIGH 0.1293 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in ovarian_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac uterine_cancer GAP_HIGH 0.1293 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) aprindine narcolepsy GAP_HIGH 0.1293 0.3076923076923077 alverine High-priority: Binding assay aprindine→?; validate in narcolepsy cell model. Expected: similar to alverine (Jaccard=0.31) antazoline salivary_gland_cancer GAP_HIGH 0.1293 0.28 diphenylpyraline High-priority: Binding assay antazoline→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) flunarizine metabolic_syndrome_x GAP_HIGH 0.1293 0.2727272727272727 papaverine High-priority: Binding assay flunarizine→?; validate in metabolic_syndrome_x cell model. Expected: similar to papaverine (Jaccard=0.27) tripelennamine thyroid_cancer GAP_HIGH 0.1293 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) oxazepam celiac_disease GAP_HIGH 0.1293 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) bepotastine osteoporosis GAP_HIGH 0.1293 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in osteoporosis cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine uterine_cancer GAP_HIGH 0.1293 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in uterine_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine duodenum_cancer GAP_HIGH 0.1293 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) cladribine gallbladder_cancer GAP_HIGH 0.1293 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) cinchocaine sclerosing_cholangitis GAP_HIGH 0.1293 0.21739130434782608 sulfanilamide High-priority: Binding assay cinchocaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.22) dienestrol peripheral_nervous_system_neoplasm GAP_HIGH 0.1293 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to fulvestrant (Jaccard=0.20) dienestrol urinary_bladder_cancer GAP_HIGH 0.1293 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in urinary_bladder_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dipivefrin melanoma GAP_HIGH 0.1293 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.20) ergocalciferol testicular_cancer GAP_HIGH 0.1293 0.2 nilutamide High-priority: Binding assay ergocalciferol→?; validate in testicular_cancer cell model. Expected: similar to nilutamide (Jaccard=0.20) milnacipran uterine_cancer GAP_HIGH 0.1293 0.2 tamoxifen High-priority: Binding assay milnacipran→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) codeine testicular_cancer GAP_HIGH 0.1293 0.1875 bepridil High-priority: Binding assay codeine→?; validate in testicular_cancer cell model. Expected: similar to bepridil (Jaccard=0.19) dienestrol penile_cancer GAP_HIGH 0.1293 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in penile_cancer cell model. Expected: similar to estrone (Jaccard=0.18) methadyl_acetate alcohol_dependence GAP_HIGH 0.1293 0.16666666666666666 ethylmorphine High-priority: Binding assay methadyl_acetate→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.17) adenine bone_cancer GAP_LOW 0.1293 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs bone_cancer targets. Cross-check adenine pharmacophore against bone_cancer pathway. phenylephrine alcohol_dependence GAP_LOW 0.1293 0.10526315789473684 ethylmorphine Low-priority: Computational docking phenylephrine vs alcohol_dependence targets. Cross-check phenylephrine pharmacophore against alcohol_dependence pathway. carvedilol idiopathic_pulmonary_fibrosis GAP_LOW 0.1293 0.1 epinephrine Low-priority: Computational docking carvedilol vs idiopathic_pulmonary_fibrosis targets. Cross-check carvedilol pharmacophore against idiopathic_pulmonary_fibrosis pathway. valsartan vascular_cancer GAP_LOW 0.1293 0.1 aspartame Low-priority: Computational docking valsartan vs vascular_cancer targets. Cross-check valsartan pharmacophore against vascular_cancer pathway. lercanidipine membranous_glomerulonephritis GAP_LOW 0.1293 0.09523809523809523 bevantolol Low-priority: Computational docking lercanidipine vs membranous_glomerulonephritis targets. Cross-check lercanidipine pharmacophore against membranous_glomerulonephritis pathway. quinestrol gilles_de_la_tourette_syndrome GAP_LOW 0.1293 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs gilles_de_la_tourette_syndrome targets. Cross-check quinestrol pharmacophore against gilles_de_la_tourette_syndrome pathway. dinoprostone narcolepsy GAP_LOW 0.1293 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs narcolepsy targets. Cross-check dinoprostone pharmacophore against narcolepsy pathway. valsartan lung_cancer GAP_LOW 0.1293 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs lung_cancer targets. Cross-check valsartan pharmacophore against lung_cancer pathway. valsartan rectum_cancer GAP_LOW 0.1293 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs rectum_cancer targets. Cross-check valsartan pharmacophore against rectum_cancer pathway. indomethacin gestational_diabetes GAP_LOW 0.1293 0.07142857142857142 zafirlukast Low-priority: Computational docking indomethacin vs gestational_diabetes targets. Cross-check indomethacin pharmacophore against gestational_diabetes pathway. streptozocin malaria GAP_LOW 0.1293 0.07142857142857142 tetracycline Low-priority: Computational docking streptozocin vs malaria targets. Cross-check streptozocin pharmacophore against malaria pathway. tafluprost alopecia_areata GAP_LOW 0.1293 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking tafluprost vs alopecia_areata targets. Cross-check tafluprost pharmacophore against alopecia_areata pathway. butabarbital ocular_cancer GAP_LOW 0.1293 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs ocular_cancer targets. Cross-check butabarbital pharmacophore against ocular_cancer pathway. fluoxymesterone hypothyroidism GAP_LOW 0.1293 0.0625 methimazole Low-priority: Computational docking fluoxymesterone vs hypothyroidism targets. Cross-check fluoxymesterone pharmacophore against hypothyroidism pathway. ranolazine brain_cancer GAP_LOW 0.1293 0.0625 epirubicin Low-priority: Computational docking ranolazine vs brain_cancer targets. Cross-check ranolazine pharmacophore against brain_cancer pathway. ranolazine intracranial_aneurysm GAP_LOW 0.1293 0.0625 epirubicin Low-priority: Computational docking ranolazine vs intracranial_aneurysm targets. Cross-check ranolazine pharmacophore against intracranial_aneurysm pathway. zolmitriptan germ_cell_cancer GAP_LOW 0.1293 0.0625 prednicarbate Low-priority: Computational docking zolmitriptan vs germ_cell_cancer targets. Cross-check zolmitriptan pharmacophore against germ_cell_cancer pathway. valsartan chronic_kidney_failure GAP_LOW 0.1293 0.058823529411764705 clotrimazole Low-priority: Computational docking valsartan vs chronic_kidney_failure targets. Cross-check valsartan pharmacophore against chronic_kidney_failure pathway. methylphenobarbital malignant_glioma GAP_LOW 0.1293 0.05555555555555555 fluticasone_propionate Low-priority: Computational docking methylphenobarbital vs malignant_glioma targets. Cross-check methylphenobarbital pharmacophore against malignant_glioma pathway. aminolevulinic_acid lung_cancer GAP_LOW 0.1293 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs lung_cancer targets. Cross-check aminolevulinic_acid pharmacophore against lung_cancer pathway. aminolevulinic_acid rectum_cancer GAP_LOW 0.1293 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs rectum_cancer targets. Cross-check aminolevulinic_acid pharmacophore against rectum_cancer pathway. sulfapyridine pagets_disease_of_bone GAP_LOW 0.1293 0.045454545454545456 clodronate Low-priority: Computational docking sulfapyridine vs pagets_disease_of_bone targets. Cross-check sulfapyridine pharmacophore against pagets_disease_of_bone pathway. adenosine_triphosphate pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking adenosine_triphosphate vs pagets_disease_of_bone targets. Cross-check adenosine_triphosphate pharmacophore against pagets_disease_of_bone pathway. diclofenac pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking diclofenac vs pagets_disease_of_bone targets. Cross-check diclofenac pharmacophore against pagets_disease_of_bone pathway. ethylmorphine pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking ethylmorphine vs pagets_disease_of_bone targets. Cross-check ethylmorphine pharmacophore against pagets_disease_of_bone pathway. hydromorphone pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking hydromorphone vs pagets_disease_of_bone targets. Cross-check hydromorphone pharmacophore against pagets_disease_of_bone pathway. lidocaine pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking lidocaine vs pagets_disease_of_bone targets. Cross-check lidocaine pharmacophore against pagets_disease_of_bone pathway. practolol pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking practolol vs pagets_disease_of_bone targets. Cross-check practolol pharmacophore against pagets_disease_of_bone pathway. s-adenosylmethionine pagets_disease_of_bone GAP_LOW 0.1293 0.0 ibandronate Low-priority: Computational docking s-adenosylmethionine vs pagets_disease_of_bone targets. Cross-check s-adenosylmethionine pharmacophore against pagets_disease_of_bone pathway. chlorprothixene muscle_cancer GAP_HIGH 0.1292 0.4230769230769231 azelastine High-priority: Binding assay chlorprothixene→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.42) l-dopa obesity GAP_HIGH 0.1292 0.375 levonordefrin High-priority: Binding assay l-dopa→?; validate in obesity cell model. Expected: similar to levonordefrin (Jaccard=0.38) mefenamic_acid pancreatic_cancer GAP_HIGH 0.1292 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in pancreatic_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) fludiazepam liver_cancer GAP_HIGH 0.1292 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in liver_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) cyclopentolate hematologic_cancer GAP_HIGH 0.1292 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) tranylcypromine peripheral_nervous_system_neoplasm GAP_HIGH 0.1292 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.29) aceprometazine esophageal_cancer GAP_HIGH 0.1292 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) pomalidomide osteoarthritis GAP_HIGH 0.1292 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in osteoarthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine sarcoma GAP_HIGH 0.1292 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in sarcoma cell model. Expected: similar to loperamide (Jaccard=0.24) orciprenaline autistic_disorder GAP_HIGH 0.1292 0.23076923076923078 l-dopa High-priority: Binding assay orciprenaline→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.23) orciprenaline nicotine_dependence GAP_HIGH 0.1292 0.23076923076923078 l-dopa High-priority: Binding assay orciprenaline→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.23) benzocaine vulva_cancer GAP_HIGH 0.1292 0.2 topotecan High-priority: Binding assay benzocaine→?; validate in vulva_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dobutamine crohns_disease GAP_HIGH 0.1292 0.2 methyldopa High-priority: Binding assay dobutamine→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.20) proparacaine atopic_dermatitis GAP_HIGH 0.1292 0.2 tranylcypromine High-priority: Binding assay proparacaine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.20) tolazoline thyroid_cancer GAP_HIGH 0.1292 0.2 apraclonidine High-priority: Binding assay tolazoline→?; validate in thyroid_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.20) codeine vascular_cancer GAP_HIGH 0.1292 0.1875 bepridil High-priority: Binding assay codeine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.19) arformoterol autistic_disorder GAP_HIGH 0.1292 0.18181818181818182 methyclothiazide High-priority: Binding assay arformoterol→?; validate in autistic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.18) diclofenamide psoriasis GAP_HIGH 0.1292 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in psoriasis cell model. Expected: similar to indapamide (Jaccard=0.17) diclofenamide ulcerative_colitis GAP_HIGH 0.1292 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in ulcerative_colitis cell model. Expected: similar to indapamide (Jaccard=0.17) methocarbamol lung_cancer GAP_LOW 0.1292 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs lung_cancer targets. Cross-check methocarbamol pharmacophore against lung_cancer pathway. methocarbamol rectum_cancer GAP_LOW 0.1292 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs rectum_cancer targets. Cross-check methocarbamol pharmacophore against rectum_cancer pathway. carvedilol ankylosing_spondylitis GAP_LOW 0.1292 0.1111111111111111 sorafenib Low-priority: Computational docking carvedilol vs ankylosing_spondylitis targets. Cross-check carvedilol pharmacophore against ankylosing_spondylitis pathway. glisoxepide muscle_cancer GAP_LOW 0.1292 0.09090909090909091 aciclovir Low-priority: Computational docking glisoxepide vs muscle_cancer targets. Cross-check glisoxepide pharmacophore against muscle_cancer pathway. valsartan alzheimers_disease GAP_LOW 0.1292 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs alzheimers_disease targets. Cross-check valsartan pharmacophore against alzheimers_disease pathway. valsartan parkinsons_disease GAP_LOW 0.1292 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs parkinsons_disease targets. Cross-check valsartan pharmacophore against parkinsons_disease pathway. calcium_acetate osteoarthritis GAP_LOW 0.1292 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs osteoarthritis targets. Cross-check calcium_acetate pharmacophore against osteoarthritis pathway. olmesartan malignant_mesothelioma GAP_LOW 0.1292 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs malignant_mesothelioma targets. Cross-check olmesartan pharmacophore against malignant_mesothelioma pathway. tetracycline muscle_cancer GAP_LOW 0.1292 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs muscle_cancer targets. Cross-check tetracycline pharmacophore against muscle_cancer pathway. aminolevulinic_acid panic_disorder GAP_LOW 0.1292 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs panic_disorder targets. Cross-check aminolevulinic_acid pharmacophore against panic_disorder pathway. aminolevulinic_acid schizophrenia GAP_LOW 0.1292 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs schizophrenia targets. Cross-check aminolevulinic_acid pharmacophore against schizophrenia pathway. acetylcysteine ankylosing_spondylitis GAP_LOW 0.1292 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs ankylosing_spondylitis targets. Cross-check acetylcysteine pharmacophore against ankylosing_spondylitis pathway. bethanidine hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking bethanidine vs hypothyroidism targets. Cross-check bethanidine pharmacophore against hypothyroidism pathway. epirubicin hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking epirubicin vs hypothyroidism targets. Cross-check epirubicin pharmacophore against hypothyroidism pathway. erlotinib hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking erlotinib vs hypothyroidism targets. Cross-check erlotinib pharmacophore against hypothyroidism pathway. estradiol_valeratedienogest hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking estradiol_valeratedienogest vs hypothyroidism targets. Cross-check estradiol_valeratedienogest pharmacophore against hypothyroidism pathway. mefenamic_acid hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking mefenamic_acid vs hypothyroidism targets. Cross-check mefenamic_acid pharmacophore against hypothyroidism pathway. mepenzolate hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking mepenzolate vs hypothyroidism targets. Cross-check mepenzolate pharmacophore against hypothyroidism pathway. orlistat crohns_disease GAP_LOW 0.1292 0.0 hydrocortisone Low-priority: Computational docking orlistat vs crohns_disease targets. Cross-check orlistat pharmacophore against crohns_disease pathway. phenprocoumon hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking phenprocoumon vs hypothyroidism targets. Cross-check phenprocoumon pharmacophore against hypothyroidism pathway. podofilox hypothyroidism GAP_LOW 0.1292 0.0 methimazole Low-priority: Computational docking podofilox vs hypothyroidism targets. Cross-check podofilox pharmacophore against hypothyroidism pathway. propericiazine thyroid_cancer GAP_HIGH 0.1291 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) mefenamic_acid ovarian_cancer GAP_HIGH 0.1291 0.3684210526315789 bromfenac High-priority: Binding assay mefenamic_acid→?; validate in ovarian_cancer cell model. Expected: similar to bromfenac (Jaccard=0.37) oxcarbazepine penile_cancer GAP_HIGH 0.1291 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) mitiglinide celiac_disease GAP_HIGH 0.1291 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in celiac_disease cell model. Expected: similar to methylphenidate (Jaccard=0.29) tolterodine membranous_glomerulonephritis GAP_HIGH 0.1291 0.2727272727272727 promethazine High-priority: Binding assay tolterodine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.27) anileridine pharynx_cancer GAP_HIGH 0.1291 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) drostanolone germ_cell_cancer GAP_HIGH 0.1291 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in germ_cell_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) ethynodiol pancreatitis GAP_HIGH 0.1291 0.25 fulvestrant High-priority: Binding assay ethynodiol→?; validate in pancreatitis cell model. Expected: similar to fulvestrant (Jaccard=0.25) droperidol metabolic_syndrome_x GAP_HIGH 0.1291 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in metabolic_syndrome_x cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol skin_cancer GAP_HIGH 0.1291 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in skin_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone pharynx_cancer GAP_HIGH 0.1291 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in pharynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) proparacaine hypertension GAP_HIGH 0.1291 0.2 tranylcypromine High-priority: Binding assay proparacaine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.20) fluorometholone alcohol_dependence GAP_HIGH 0.1291 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone alcohol_dependence GAP_HIGH 0.1291 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) antipyrine penile_cancer GAP_HIGH 0.1291 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) methyclothiazide attention_deficit_hyperactivity_disorder GAP_HIGH 0.1291 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ritodrine (Jaccard=0.18) codeine ankylosing_spondylitis GAP_HIGH 0.1291 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in ankylosing_spondylitis cell model. Expected: similar to benzatropine (Jaccard=0.18) diclofenamide multiple_sclerosis GAP_HIGH 0.1291 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in multiple_sclerosis cell model. Expected: similar to indapamide (Jaccard=0.17) diclofenamide osteoporosis GAP_HIGH 0.1291 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in osteoporosis cell model. Expected: similar to indapamide (Jaccard=0.17) codeine focal_segmental_glomerulosclerosis GAP_LOW 0.1291 0.14285714285714285 propiomazine Low-priority: Computational docking codeine vs focal_segmental_glomerulosclerosis targets. Cross-check codeine pharmacophore against focal_segmental_glomerulosclerosis pathway. ritodrine larynx_cancer GAP_LOW 0.1291 0.14285714285714285 clodronate Low-priority: Computational docking ritodrine vs larynx_cancer targets. Cross-check ritodrine pharmacophore against larynx_cancer pathway. clofibrate salivary_gland_cancer GAP_LOW 0.1291 0.125 alclometasone Low-priority: Computational docking clofibrate vs salivary_gland_cancer targets. Cross-check clofibrate pharmacophore against salivary_gland_cancer pathway. olmesartan asthma GAP_LOW 0.1291 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs asthma targets. Cross-check olmesartan pharmacophore against asthma pathway. valsartan amyotrophic_lateral_sclerosis GAP_LOW 0.1291 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs amyotrophic_lateral_sclerosis targets. Cross-check valsartan pharmacophore against amyotrophic_lateral_sclerosis pathway. valsartan liver_cancer GAP_LOW 0.1291 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs liver_cancer targets. Cross-check valsartan pharmacophore against liver_cancer pathway. valsartan thyroid_cancer GAP_LOW 0.1291 0.08695652173913043 procaine Low-priority: Computational docking valsartan vs thyroid_cancer targets. Cross-check valsartan pharmacophore against thyroid_cancer pathway. aminolevulinic_acid atopic_dermatitis GAP_LOW 0.1291 0.05405405405405406 remifentanil Low-priority: Computational docking aminolevulinic_acid vs atopic_dermatitis targets. Cross-check aminolevulinic_acid pharmacophore against atopic_dermatitis pathway. vitamin_c coronary_artery_disease GAP_LOW 0.1291 0.05263157894736842 progesterone Low-priority: Computational docking vitamin_c vs coronary_artery_disease targets. Cross-check vitamin_c pharmacophore against coronary_artery_disease pathway. aminolevulinic_acid liver_cancer GAP_LOW 0.1291 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs liver_cancer targets. Cross-check aminolevulinic_acid pharmacophore against liver_cancer pathway. aminocaproic_acid alcohol_dependence GAP_LOW 0.1291 0.030303030303030304 ethylmorphine Low-priority: Computational docking aminocaproic_acid vs alcohol_dependence targets. Cross-check aminocaproic_acid pharmacophore against alcohol_dependence pathway. acetylcysteine penile_cancer GAP_LOW 0.1291 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs penile_cancer targets. Cross-check acetylcysteine pharmacophore against penile_cancer pathway. talbutal gilles_de_la_tourette_syndrome GAP_LOW 0.1291 0.02564102564102564 mazindol Low-priority: Computational docking talbutal vs gilles_de_la_tourette_syndrome targets. Cross-check talbutal pharmacophore against gilles_de_la_tourette_syndrome pathway. promazine urinary_bladder_cancer GAP_HIGH 0.129 0.4838709677419355 clofedanol High-priority: Binding assay promazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clofedanol (Jaccard=0.48) clomipramine crohns_disease GAP_HIGH 0.129 0.46153846153846156 methdilazine High-priority: Binding assay clomipramine→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.46) bromfenac salivary_gland_cancer GAP_HIGH 0.129 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) methotrimeprazine mediastinal_cancer GAP_HIGH 0.129 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) doxepin membranous_glomerulonephritis GAP_HIGH 0.129 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to acepromazine (Jaccard=0.38) mazindol focal_segmental_glomerulosclerosis GAP_HIGH 0.129 0.36585365853658536 chlorprothixene High-priority: Binding assay mazindol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.37) brompheniramine sclerosing_cholangitis GAP_HIGH 0.129 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to reboxetine (Jaccard=0.33) nortriptyline celiac_disease GAP_HIGH 0.129 0.3333333333333333 phenindamine High-priority: Binding assay nortriptyline→?; validate in celiac_disease cell model. Expected: similar to phenindamine (Jaccard=0.33) diphemanil_methylsulfate celiac_disease GAP_HIGH 0.129 0.2962962962962963 diphenhydramine High-priority: Binding assay diphemanil_methylsulfate→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.30) ketorolac chronic_obstructive_pulmonary_disease GAP_HIGH 0.129 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) podofilox colon_cancer GAP_HIGH 0.129 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in colon_cancer cell model. Expected: similar to epirubicin (Jaccard=0.29) antazoline ocular_cancer GAP_HIGH 0.129 0.28 diphenylpyraline High-priority: Binding assay antazoline→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) atropine head_and_neck_cancer GAP_HIGH 0.129 0.25 alclometasone High-priority: Binding assay atropine→?; validate in head_and_neck_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) atropine malignant_glioma GAP_HIGH 0.129 0.25 alclometasone High-priority: Binding assay atropine→?; validate in malignant_glioma cell model. Expected: similar to alclometasone (Jaccard=0.25) medroxyprogesterone_acetate pharynx_cancer GAP_HIGH 0.129 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in pharynx_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) droperidol vaginal_cancer GAP_HIGH 0.129 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in vaginal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol vulva_cancer GAP_HIGH 0.129 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in vulva_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene salivary_gland_cancer GAP_HIGH 0.129 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) ponatinib psoriatic_arthritis GAP_HIGH 0.129 0.23529411764705882 sorafenib High-priority: Binding assay ponatinib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.24) orciprenaline urinary_bladder_cancer GAP_HIGH 0.129 0.23076923076923078 l-dopa High-priority: Binding assay orciprenaline→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.23) diethylpropion focal_segmental_glomerulosclerosis GAP_HIGH 0.129 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.22) flunarizine malaria GAP_HIGH 0.129 0.2 modafinil High-priority: Binding assay flunarizine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.20) oxcarbazepine alcohol_dependence GAP_HIGH 0.129 0.2 midazolam High-priority: Binding assay oxcarbazepine→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.20) pazopanib alcohol_dependence GAP_HIGH 0.129 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.20) l-citrulline salivary_gland_cancer GAP_HIGH 0.129 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in salivary_gland_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) methocarbamol liver_cancer GAP_LOW 0.129 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs liver_cancer targets. Cross-check methocarbamol pharmacophore against liver_cancer pathway. nisoldipine liver_cancer GAP_LOW 0.129 0.13333333333333333 proparacaine Low-priority: Computational docking nisoldipine vs liver_cancer targets. Cross-check nisoldipine pharmacophore against liver_cancer pathway. l-citrulline esophageal_cancer GAP_LOW 0.129 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs esophageal_cancer targets. Cross-check l-citrulline pharmacophore against esophageal_cancer pathway. carvedilol epilepsy_syndrome GAP_LOW 0.129 0.1111111111111111 ketoprofen Low-priority: Computational docking carvedilol vs epilepsy_syndrome targets. Cross-check carvedilol pharmacophore against epilepsy_syndrome pathway. ibuprofen osteoarthritis GAP_LOW 0.129 0.1111111111111111 isocarboxazid Low-priority: Computational docking ibuprofen vs osteoarthritis targets. Cross-check ibuprofen pharmacophore against osteoarthritis pathway. alitretinoin bone_cancer GAP_LOW 0.129 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs bone_cancer targets. Cross-check alitretinoin pharmacophore against bone_cancer pathway. losartan atopic_dermatitis GAP_LOW 0.129 0.1 epinephrine Low-priority: Computational docking losartan vs atopic_dermatitis targets. Cross-check losartan pharmacophore against atopic_dermatitis pathway. triamterene alopecia_areata GAP_LOW 0.129 0.1 dexamethasone Low-priority: Computational docking triamterene vs alopecia_areata targets. Cross-check triamterene pharmacophore against alopecia_areata pathway. valsartan uterine_fibroid GAP_LOW 0.129 0.1 aspartame Low-priority: Computational docking valsartan vs uterine_fibroid targets. Cross-check valsartan pharmacophore against uterine_fibroid pathway. candesartan alzheimers_disease GAP_LOW 0.129 0.09090909090909091 orciprenaline Low-priority: Computational docking candesartan vs alzheimers_disease targets. Cross-check candesartan pharmacophore against alzheimers_disease pathway. olmesartan allergic_rhinitis GAP_LOW 0.129 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs allergic_rhinitis targets. Cross-check olmesartan pharmacophore against allergic_rhinitis pathway. olmesartan atopic_dermatitis GAP_LOW 0.129 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs atopic_dermatitis targets. Cross-check olmesartan pharmacophore against atopic_dermatitis pathway. olmesartan breast_cancer GAP_LOW 0.129 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs breast_cancer targets. Cross-check olmesartan pharmacophore against breast_cancer pathway. olmesartan colon_cancer GAP_LOW 0.129 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs colon_cancer targets. Cross-check olmesartan pharmacophore against colon_cancer pathway. olmesartan stomach_cancer GAP_LOW 0.129 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs stomach_cancer targets. Cross-check olmesartan pharmacophore against stomach_cancer pathway. epoprostenol narcolepsy GAP_LOW 0.129 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs narcolepsy targets. Cross-check epoprostenol pharmacophore against narcolepsy pathway. tetracycline gout GAP_LOW 0.129 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs gout targets. Cross-check tetracycline pharmacophore against gout pathway. tetracycline primary_biliary_cirrhosis GAP_LOW 0.129 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs primary_biliary_cirrhosis targets. Cross-check tetracycline pharmacophore against primary_biliary_cirrhosis pathway. l-citrulline bone_cancer GAP_LOW 0.129 0.016666666666666666 tetrahydrofolic_acid Low-priority: Computational docking l-citrulline vs bone_cancer targets. Cross-check l-citrulline pharmacophore against bone_cancer pathway. acetylcysteine larynx_cancer GAP_LOW 0.129 0.0 vinblastine Low-priority: Computational docking acetylcysteine vs larynx_cancer targets. Cross-check acetylcysteine pharmacophore against larynx_cancer pathway. aminolevulinic_acid larynx_cancer GAP_LOW 0.129 0.0 vinblastine Low-priority: Computational docking aminolevulinic_acid vs larynx_cancer targets. Cross-check aminolevulinic_acid pharmacophore against larynx_cancer pathway. amlodipine alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking amlodipine vs alcohol_dependence targets. Cross-check amlodipine pharmacophore against alcohol_dependence pathway. carboprost_tromethamine alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking carboprost_tromethamine vs alcohol_dependence targets. Cross-check carboprost_tromethamine pharmacophore against alcohol_dependence pathway. conivaptan alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking conivaptan vs alcohol_dependence targets. Cross-check conivaptan pharmacophore against alcohol_dependence pathway. dihomo-gamma-linolenic_acid larynx_cancer GAP_LOW 0.129 0.0 vinblastine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs larynx_cancer targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against larynx_cancer pathway. epoprostenol alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking epoprostenol vs alcohol_dependence targets. Cross-check epoprostenol pharmacophore against alcohol_dependence pathway. eprosartan alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking eprosartan vs alcohol_dependence targets. Cross-check eprosartan pharmacophore against alcohol_dependence pathway. gliquidone alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking gliquidone vs alcohol_dependence targets. Cross-check gliquidone pharmacophore against alcohol_dependence pathway. lubiprostone larynx_cancer GAP_LOW 0.129 0.0 vinblastine Low-priority: Computational docking lubiprostone vs larynx_cancer targets. Cross-check lubiprostone pharmacophore against larynx_cancer pathway. penicillamine larynx_cancer GAP_LOW 0.129 0.0 vinblastine Low-priority: Computational docking penicillamine vs larynx_cancer targets. Cross-check penicillamine pharmacophore against larynx_cancer pathway. sulpiride alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking sulpiride vs alcohol_dependence targets. Cross-check sulpiride pharmacophore against alcohol_dependence pathway. tafluprost alcohol_dependence GAP_LOW 0.129 0.0 midazolam Low-priority: Computational docking tafluprost vs alcohol_dependence targets. Cross-check tafluprost pharmacophore against alcohol_dependence pathway. methotrimeprazine thymus_cancer GAP_HIGH 0.1289 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) spironolactone salivary_gland_cancer GAP_HIGH 0.1289 0.3888888888888889 progesterone High-priority: Binding assay spironolactone→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.39) atomoxetine chronic_kidney_failure GAP_HIGH 0.1289 0.36363636363636365 amitriptyline High-priority: Binding assay atomoxetine→?; validate in chronic_kidney_failure cell model. Expected: similar to amitriptyline (Jaccard=0.36) diazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1289 0.35714285714285715 azatadine High-priority: Binding assay diazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to azatadine (Jaccard=0.36) benzphetamine prostate_cancer GAP_HIGH 0.1289 0.3333333333333333 pheniramine High-priority: Binding assay benzphetamine→?; validate in prostate_cancer cell model. Expected: similar to pheniramine (Jaccard=0.33) methdilazine atherosclerosis GAP_HIGH 0.1289 0.3333333333333333 flurbiprofen High-priority: Binding assay methdilazine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.33) oxcarbazepine malignant_mesothelioma GAP_HIGH 0.1289 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenylbutazone (Jaccard=0.31) lidocaine rectum_cancer GAP_HIGH 0.1289 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in rectum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) methadyl_acetate meningioma GAP_HIGH 0.1289 0.2608695652173913 methadone High-priority: Binding assay methadyl_acetate→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.26) atropine kidney_cancer GAP_HIGH 0.1289 0.25 clofibrate High-priority: Binding assay atropine→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.25) estazolam duodenum_cancer GAP_HIGH 0.1289 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in duodenum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) estazolam gallbladder_cancer GAP_HIGH 0.1289 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in gallbladder_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) bepotastine metabolic_syndrome_x GAP_HIGH 0.1289 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in metabolic_syndrome_x cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol testicular_cancer GAP_HIGH 0.1289 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in testicular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene muscle_cancer GAP_HIGH 0.1289 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in muscle_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) flurazepam duodenum_cancer GAP_HIGH 0.1289 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.22) flurazepam gallbladder_cancer GAP_HIGH 0.1289 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.22) aspartame crohns_disease GAP_HIGH 0.1289 0.21428571428571427 nateglinide High-priority: Binding assay aspartame→?; validate in crohns_disease cell model. Expected: similar to nateglinide (Jaccard=0.21) nandrolone_phenpropionate pancreatitis GAP_HIGH 0.1289 0.21052631578947367 fludrocortisone High-priority: Binding assay nandrolone_phenpropionate→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.21) dipivefrin sclerosing_cholangitis GAP_HIGH 0.1289 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.20) melatonin conduct_disorder GAP_HIGH 0.1289 0.2 nefazodone High-priority: Binding assay melatonin→?; validate in conduct_disorder cell model. Expected: similar to nefazodone (Jaccard=0.20) l-citrulline muscle_cancer GAP_HIGH 0.1289 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in muscle_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) ephedrine malignant_mesothelioma GAP_HIGH 0.1289 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.17) diclofenamide systemic_lupus_erythematosus GAP_HIGH 0.1289 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to indapamide (Jaccard=0.17) metolazone crohns_disease GAP_LOW 0.1289 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs crohns_disease targets. Cross-check metolazone pharmacophore against crohns_disease pathway. tolbutamide penile_cancer GAP_LOW 0.1289 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs penile_cancer targets. Cross-check tolbutamide pharmacophore against penile_cancer pathway. candesartan amyotrophic_lateral_sclerosis GAP_LOW 0.1289 0.09090909090909091 orciprenaline Low-priority: Computational docking candesartan vs amyotrophic_lateral_sclerosis targets. Cross-check candesartan pharmacophore against amyotrophic_lateral_sclerosis pathway. candesartan parkinsons_disease GAP_LOW 0.1289 0.09090909090909091 orciprenaline Low-priority: Computational docking candesartan vs parkinsons_disease targets. Cross-check candesartan pharmacophore against parkinsons_disease pathway. sulpiride membranous_glomerulonephritis GAP_LOW 0.1289 0.09090909090909091 aciclovir Low-priority: Computational docking sulpiride vs membranous_glomerulonephritis targets. Cross-check sulpiride pharmacophore against membranous_glomerulonephritis pathway. isradipine esophageal_cancer GAP_LOW 0.1289 0.07692307692307693 clocortolone Low-priority: Computational docking isradipine vs esophageal_cancer targets. Cross-check isradipine pharmacophore against esophageal_cancer pathway. butabarbital peripheral_nervous_system_neoplasm GAP_LOW 0.1289 0.06666666666666667 pantoprazole Low-priority: Computational docking butabarbital vs peripheral_nervous_system_neoplasm targets. Cross-check butabarbital pharmacophore against peripheral_nervous_system_neoplasm pathway. orlistat idiopathic_pulmonary_fibrosis GAP_LOW 0.1289 0.0 hydrocortisone Low-priority: Computational docking orlistat vs idiopathic_pulmonary_fibrosis targets. Cross-check orlistat pharmacophore against idiopathic_pulmonary_fibrosis pathway. chlordiazepoxide muscle_cancer GAP_HIGH 0.1288 0.38461538461538464 azelastine High-priority: Binding assay chlordiazepoxide→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.38) naproxen asthma GAP_HIGH 0.1288 0.35 melphalan High-priority: Binding assay naproxen→?; validate in asthma cell model. Expected: similar to melphalan (Jaccard=0.35) isopropamide gout GAP_HIGH 0.1288 0.3333333333333333 benzatropine High-priority: Binding assay isopropamide→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.33) isopropamide primary_biliary_cirrhosis GAP_HIGH 0.1288 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.33) diclofenac vaginal_cancer GAP_HIGH 0.1288 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) diclofenac vulva_cancer GAP_HIGH 0.1288 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) doxorubicin alopecia_areata GAP_HIGH 0.1288 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.29) ketorolac pancreatitis GAP_HIGH 0.1288 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in pancreatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) lamivudine germ_cell_cancer GAP_HIGH 0.1288 0.2857142857142857 gemcitabine High-priority: Binding assay lamivudine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.29) oxcarbazepine focal_segmental_glomerulosclerosis GAP_HIGH 0.1288 0.2857142857142857 chlorpromazine High-priority: Binding assay oxcarbazepine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorpromazine (Jaccard=0.29) prednisolone esophageal_cancer GAP_HIGH 0.1288 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in esophageal_cancer cell model. Expected: similar to amcinonide (Jaccard=0.29) levorphanol type_1_diabetes_mellitus GAP_HIGH 0.1288 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.28) tripelennamine muscle_cancer GAP_HIGH 0.1288 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) anileridine thyroid_cancer GAP_HIGH 0.1288 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in thyroid_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) butenafine crohns_disease GAP_HIGH 0.1288 0.25 propranolol High-priority: Binding assay butenafine→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.25) imipramine coronary_artery_disease GAP_HIGH 0.1288 0.25 acepromazine High-priority: Binding assay imipramine→?; validate in coronary_artery_disease cell model. Expected: similar to acepromazine (Jaccard=0.25) bepotastine skin_cancer GAP_HIGH 0.1288 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in skin_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol vascular_cancer GAP_HIGH 0.1288 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in vascular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene lung_cancer GAP_HIGH 0.1288 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in lung_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene ocular_cancer GAP_HIGH 0.1288 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene rectum_cancer GAP_HIGH 0.1288 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in rectum_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone thyroid_cancer GAP_HIGH 0.1288 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in thyroid_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) ketazolam meningioma GAP_HIGH 0.1288 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.18) methyclothiazide asthma GAP_HIGH 0.1288 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in asthma cell model. Expected: similar to ritodrine (Jaccard=0.18) naloxone intracranial_aneurysm GAP_HIGH 0.1288 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in intracranial_aneurysm cell model. Expected: similar to dexamethasone (Jaccard=0.18) nilotinib azoospermia GAP_HIGH 0.1288 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) ephedrine gilles_de_la_tourette_syndrome GAP_LOW 0.1288 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs gilles_de_la_tourette_syndrome targets. Cross-check ephedrine pharmacophore against gilles_de_la_tourette_syndrome pathway. gliclazide larynx_cancer GAP_LOW 0.1288 0.13333333333333333 docetaxel Low-priority: Computational docking gliclazide vs larynx_cancer targets. Cross-check gliclazide pharmacophore against larynx_cancer pathway. clofibrate ocular_cancer GAP_LOW 0.1288 0.125 alclometasone Low-priority: Computational docking clofibrate vs ocular_cancer targets. Cross-check clofibrate pharmacophore against ocular_cancer pathway. aminocaproic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1288 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check aminocaproic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-aspartic_acid refractive_error GAP_LOW 0.1288 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs refractive_error targets. Cross-check l-aspartic_acid pharmacophore against refractive_error pathway. regadenoson bone_cancer GAP_LOW 0.1288 0.08333333333333333 tetrahydrofolic_acid Low-priority: Computational docking regadenoson vs bone_cancer targets. Cross-check regadenoson pharmacophore against bone_cancer pathway. valsartan meningioma GAP_LOW 0.1288 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs meningioma targets. Cross-check valsartan pharmacophore against meningioma pathway. tetracycline coronary_artery_disease GAP_LOW 0.1288 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs coronary_artery_disease targets. Cross-check tetracycline pharmacophore against coronary_artery_disease pathway. glipizide esophageal_cancer GAP_LOW 0.1288 0.05555555555555555 melphalan Low-priority: Computational docking glipizide vs esophageal_cancer targets. Cross-check glipizide pharmacophore against esophageal_cancer pathway. nabumetone dilated_cardiomyopathy GAP_LOW 0.1288 0.05555555555555555 medrysone Low-priority: Computational docking nabumetone vs dilated_cardiomyopathy targets. Cross-check nabumetone pharmacophore against dilated_cardiomyopathy pathway. tetracycline membranous_glomerulonephritis GAP_LOW 0.1288 0.045454545454545456 propranolol Low-priority: Computational docking tetracycline vs membranous_glomerulonephritis targets. Cross-check tetracycline pharmacophore against membranous_glomerulonephritis pathway. aminocaproic_acid dilated_cardiomyopathy GAP_LOW 0.1288 0.03333333333333333 medrysone Low-priority: Computational docking aminocaproic_acid vs dilated_cardiomyopathy targets. Cross-check aminocaproic_acid pharmacophore against dilated_cardiomyopathy pathway. aminolevulinic_acid chronic_kidney_failure GAP_LOW 0.1288 0.02 acetylsalicylic_acid Low-priority: Computational docking aminolevulinic_acid vs chronic_kidney_failure targets. Cross-check aminolevulinic_acid pharmacophore against chronic_kidney_failure pathway. aminophenazone atherosclerosis GAP_LOW 0.1288 0.0 fenoprofen Low-priority: Computational docking aminophenazone vs atherosclerosis targets. Cross-check aminophenazone pharmacophore against atherosclerosis pathway. aminophenazone lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking aminophenazone vs lymphatic_system_cancer targets. Cross-check aminophenazone pharmacophore against lymphatic_system_cancer pathway. aprobarbital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking aprobarbital vs lymphatic_system_cancer targets. Cross-check aprobarbital pharmacophore against lymphatic_system_cancer pathway. butabarbital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking butabarbital vs lymphatic_system_cancer targets. Cross-check butabarbital pharmacophore against lymphatic_system_cancer pathway. butethal lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking butethal vs lymphatic_system_cancer targets. Cross-check butethal pharmacophore against lymphatic_system_cancer pathway. calcium_acetate bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking calcium_acetate vs bone_cancer targets. Cross-check calcium_acetate pharmacophore against bone_cancer pathway. equilin atherosclerosis GAP_LOW 0.1288 0.0 fenoprofen Low-priority: Computational docking equilin vs atherosclerosis targets. Cross-check equilin pharmacophore against atherosclerosis pathway. equilin lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking equilin vs lymphatic_system_cancer targets. Cross-check equilin pharmacophore against lymphatic_system_cancer pathway. heptabarbital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking heptabarbital vs lymphatic_system_cancer targets. Cross-check heptabarbital pharmacophore against lymphatic_system_cancer pathway. isradipine bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking isradipine vs bone_cancer targets. Cross-check isradipine pharmacophore against bone_cancer pathway. isradipine gestational_diabetes GAP_LOW 0.1288 0.0 tolazamide Low-priority: Computational docking isradipine vs gestational_diabetes targets. Cross-check isradipine pharmacophore against gestational_diabetes pathway. lercanidipine bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking lercanidipine vs bone_cancer targets. Cross-check lercanidipine pharmacophore against bone_cancer pathway. lercanidipine gestational_diabetes GAP_LOW 0.1288 0.0 tolazamide Low-priority: Computational docking lercanidipine vs gestational_diabetes targets. Cross-check lercanidipine pharmacophore against gestational_diabetes pathway. methohexital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking methohexital vs lymphatic_system_cancer targets. Cross-check methohexital pharmacophore against lymphatic_system_cancer pathway. nimodipine bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking nimodipine vs bone_cancer targets. Cross-check nimodipine pharmacophore against bone_cancer pathway. nimodipine gestational_diabetes GAP_LOW 0.1288 0.0 tolazamide Low-priority: Computational docking nimodipine vs gestational_diabetes targets. Cross-check nimodipine pharmacophore against gestational_diabetes pathway. nisoldipine bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking nisoldipine vs bone_cancer targets. Cross-check nisoldipine pharmacophore against bone_cancer pathway. nisoldipine gestational_diabetes GAP_LOW 0.1288 0.0 tolazamide Low-priority: Computational docking nisoldipine vs gestational_diabetes targets. Cross-check nisoldipine pharmacophore against gestational_diabetes pathway. orlistat prostate_cancer GAP_LOW 0.1288 0.0 phenylbutazone Low-priority: Computational docking orlistat vs prostate_cancer targets. Cross-check orlistat pharmacophore against prostate_cancer pathway. papaverine bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking papaverine vs bone_cancer targets. Cross-check papaverine pharmacophore against bone_cancer pathway. pentobarbital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking pentobarbital vs lymphatic_system_cancer targets. Cross-check pentobarbital pharmacophore against lymphatic_system_cancer pathway. phenobarbital lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking phenobarbital vs lymphatic_system_cancer targets. Cross-check phenobarbital pharmacophore against lymphatic_system_cancer pathway. primidone lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking primidone vs lymphatic_system_cancer targets. Cross-check primidone pharmacophore against lymphatic_system_cancer pathway. quazepam lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking quazepam vs lymphatic_system_cancer targets. Cross-check quazepam pharmacophore against lymphatic_system_cancer pathway. talbutal lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking talbutal vs lymphatic_system_cancer targets. Cross-check talbutal pharmacophore against lymphatic_system_cancer pathway. thiamylal atherosclerosis GAP_LOW 0.1288 0.0 fenoprofen Low-priority: Computational docking thiamylal vs atherosclerosis targets. Cross-check thiamylal pharmacophore against atherosclerosis pathway. thiamylal lymphatic_system_cancer GAP_LOW 0.1288 0.0 vinblastine Low-priority: Computational docking thiamylal vs lymphatic_system_cancer targets. Cross-check thiamylal pharmacophore against lymphatic_system_cancer pathway. tofisopam bone_cancer GAP_LOW 0.1288 0.0 ibandronate Low-priority: Computational docking tofisopam vs bone_cancer targets. Cross-check tofisopam pharmacophore against bone_cancer pathway. bromfenac ocular_cancer GAP_HIGH 0.1287 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) l-dopa restless_legs_syndrome GAP_HIGH 0.1287 0.375 levonordefrin High-priority: Binding assay l-dopa→?; validate in restless_legs_syndrome cell model. Expected: similar to levonordefrin (Jaccard=0.38) l-dopa gout GAP_HIGH 0.1287 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in gout cell model. Expected: similar to carbidopa (Jaccard=0.35) l-dopa primary_biliary_cirrhosis GAP_HIGH 0.1287 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to carbidopa (Jaccard=0.35) naproxen allergic_rhinitis GAP_HIGH 0.1287 0.35 melphalan High-priority: Binding assay naproxen→?; validate in allergic_rhinitis cell model. Expected: similar to melphalan (Jaccard=0.35) diclofenac testicular_cancer GAP_HIGH 0.1287 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.31) aprindine crohns_disease GAP_HIGH 0.1287 0.3 bromodiphenhydramine High-priority: Binding assay aprindine→?; validate in crohns_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.30) lapatinib rheumatoid_arthritis GAP_HIGH 0.1287 0.2727272727272727 erlotinib High-priority: Binding assay lapatinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to erlotinib (Jaccard=0.27) glucosamine refractive_error GAP_HIGH 0.1287 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.26) danazol pharynx_cancer GAP_HIGH 0.1287 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in pharynx_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) imipramine hematologic_cancer GAP_HIGH 0.1287 0.25 aspartame High-priority: Binding assay imipramine→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) imipramine narcolepsy GAP_HIGH 0.1287 0.25 aspartame High-priority: Binding assay imipramine→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.25) pomalidomide systemic_scleroderma GAP_HIGH 0.1287 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in systemic_scleroderma cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine testicular_cancer GAP_HIGH 0.1287 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in testicular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine vaginal_cancer GAP_HIGH 0.1287 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in vaginal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine vulva_cancer GAP_HIGH 0.1287 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in vulva_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) sulfanilamide rectum_cancer GAP_HIGH 0.1287 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) sotalol type_1_diabetes_mellitus GAP_HIGH 0.1287 0.21739130434782608 methyldopa High-priority: Binding assay sotalol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methyldopa (Jaccard=0.22) difenoxin membranous_glomerulonephritis GAP_HIGH 0.1287 0.20833333333333334 naftifine High-priority: Binding assay difenoxin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.21) milnacipran vaginal_cancer GAP_HIGH 0.1287 0.2 tamoxifen High-priority: Binding assay milnacipran→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) milnacipran vulva_cancer GAP_HIGH 0.1287 0.2 tamoxifen High-priority: Binding assay milnacipran→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) methyclothiazide allergic_rhinitis GAP_HIGH 0.1287 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in allergic_rhinitis cell model. Expected: similar to ritodrine (Jaccard=0.18) methyclothiazide atopic_dermatitis GAP_HIGH 0.1287 0.18181818181818182 ritodrine High-priority: Binding assay methyclothiazide→?; validate in atopic_dermatitis cell model. Expected: similar to ritodrine (Jaccard=0.18) ritodrine autistic_disorder GAP_HIGH 0.1287 0.18181818181818182 methyclothiazide High-priority: Binding assay ritodrine→?; validate in autistic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.18) adinazolam membranous_glomerulonephritis GAP_HIGH 0.1287 0.17391304347826086 clomipramine High-priority: Binding assay adinazolam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to clomipramine (Jaccard=0.17) midodrine narcolepsy GAP_LOW 0.1287 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs narcolepsy targets. Cross-check midodrine pharmacophore against narcolepsy pathway. tolazamide alzheimers_disease GAP_LOW 0.1287 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs alzheimers_disease targets. Cross-check tolazamide pharmacophore against alzheimers_disease pathway. tolazamide autistic_disorder GAP_LOW 0.1287 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs autistic_disorder targets. Cross-check tolazamide pharmacophore against autistic_disorder pathway. tolazamide nicotine_dependence GAP_LOW 0.1287 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs nicotine_dependence targets. Cross-check tolazamide pharmacophore against nicotine_dependence pathway. tolazamide parkinsons_disease GAP_LOW 0.1287 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs parkinsons_disease targets. Cross-check tolazamide pharmacophore against parkinsons_disease pathway. l-aspartic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1287 0.10714285714285714 acetylcysteine Low-priority: Computational docking l-aspartic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check l-aspartic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. travoprost meningioma GAP_LOW 0.1287 0.1 prednicarbate Low-priority: Computational docking travoprost vs meningioma targets. Cross-check travoprost pharmacophore against meningioma pathway. olmesartan migraine GAP_LOW 0.1287 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs migraine targets. Cross-check olmesartan pharmacophore against migraine pathway. olmesartan ovarian_cancer GAP_LOW 0.1287 0.09090909090909091 desipramine Low-priority: Computational docking olmesartan vs ovarian_cancer targets. Cross-check olmesartan pharmacophore against ovarian_cancer pathway. sulpiride chronic_kidney_failure GAP_LOW 0.1287 0.08333333333333333 indapamide Low-priority: Computational docking sulpiride vs chronic_kidney_failure targets. Cross-check sulpiride pharmacophore against chronic_kidney_failure pathway. carboprost_tromethamine epilepsy_syndrome GAP_LOW 0.1287 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs epilepsy_syndrome targets. Cross-check carboprost_tromethamine pharmacophore against epilepsy_syndrome pathway. spirapril azoospermia GAP_LOW 0.1287 0.0625 propafenone Low-priority: Computational docking spirapril vs azoospermia targets. Cross-check spirapril pharmacophore against azoospermia pathway. tetracycline narcolepsy GAP_LOW 0.1287 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs narcolepsy targets. Cross-check tetracycline pharmacophore against narcolepsy pathway. acetylcysteine pancreatitis GAP_LOW 0.1287 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs pancreatitis targets. Cross-check acetylcysteine pharmacophore against pancreatitis pathway. propofol head_and_neck_cancer GAP_LOW 0.1287 0.0 hydrocortisone Low-priority: Computational docking propofol vs head_and_neck_cancer targets. Cross-check propofol pharmacophore against head_and_neck_cancer pathway. propofol malignant_glioma GAP_LOW 0.1287 0.0 hydrocortisone Low-priority: Computational docking propofol vs malignant_glioma targets. Cross-check propofol pharmacophore against malignant_glioma pathway. diphenylpyraline idiopathic_pulmonary_fibrosis GAP_HIGH 0.1286 0.45454545454545453 diphenhydramine High-priority: Binding assay diphenylpyraline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.45) mazindol stomach_cancer GAP_HIGH 0.1286 0.425 loxapine High-priority: Binding assay mazindol→?; validate in stomach_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) propericiazine muscle_cancer GAP_HIGH 0.1286 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) moricizine gout GAP_HIGH 0.1286 0.3333333333333333 pirenzepine High-priority: Binding assay moricizine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.33) vismodegib narcolepsy GAP_HIGH 0.1286 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in narcolepsy cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) podofilox refractive_error GAP_HIGH 0.1286 0.25 acetazolamide High-priority: Binding assay podofilox→?; validate in refractive_error cell model. Expected: similar to acetazolamide (Jaccard=0.25) bepotastine vascular_cancer GAP_HIGH 0.1286 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in vascular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol systemic_scleroderma GAP_HIGH 0.1286 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in systemic_scleroderma cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene liver_cancer GAP_HIGH 0.1286 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in liver_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) orciprenaline conduct_disorder GAP_HIGH 0.1286 0.23076923076923078 l-dopa High-priority: Binding assay orciprenaline→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.23) antipyrine sclerosing_cholangitis GAP_HIGH 0.1286 0.2 chlorcyclizine High-priority: Binding assay antipyrine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) dienestrol multiple_sclerosis GAP_HIGH 0.1286 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in multiple_sclerosis cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol osteoporosis GAP_HIGH 0.1286 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in osteoporosis cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol ulcerative_colitis GAP_HIGH 0.1286 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in ulcerative_colitis cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol uterine_cancer GAP_HIGH 0.1286 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in uterine_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) ergocalciferol polycystic_ovary_syndrome GAP_HIGH 0.1286 0.2 clopidogrel High-priority: Binding assay ergocalciferol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clopidogrel (Jaccard=0.20) indomethacin gout GAP_HIGH 0.1286 0.2 diclofenac High-priority: Binding assay indomethacin→?; validate in gout cell model. Expected: similar to diclofenac (Jaccard=0.20) l-citrulline alzheimers_disease GAP_HIGH 0.1286 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in alzheimers_disease cell model. Expected: similar to l-serine (Jaccard=0.18) benzocaine azoospermia GAP_HIGH 0.1286 0.16666666666666666 procaine High-priority: Binding assay benzocaine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.17) diclofenamide osteoarthritis GAP_HIGH 0.1286 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in osteoarthritis cell model. Expected: similar to indapamide (Jaccard=0.17) remifentanil pharynx_cancer GAP_HIGH 0.1286 0.15384615384615385 lacosamide High-priority: Binding assay remifentanil→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) ritodrine focal_segmental_glomerulosclerosis GAP_LOW 0.1286 0.15 tamsulosin Low-priority: Computational docking ritodrine vs focal_segmental_glomerulosclerosis targets. Cross-check ritodrine pharmacophore against focal_segmental_glomerulosclerosis pathway. ponatinib atherosclerosis GAP_LOW 0.1286 0.13513513513513514 phenelzine Low-priority: Computational docking ponatinib vs atherosclerosis targets. Cross-check ponatinib pharmacophore against atherosclerosis pathway. tolazamide amyotrophic_lateral_sclerosis GAP_LOW 0.1286 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs amyotrophic_lateral_sclerosis targets. Cross-check tolazamide pharmacophore against amyotrophic_lateral_sclerosis pathway. ibuprofen lung_cancer GAP_LOW 0.1286 0.1 lapatinib Low-priority: Computational docking ibuprofen vs lung_cancer targets. Cross-check ibuprofen pharmacophore against lung_cancer pathway. conivaptan pharynx_cancer GAP_LOW 0.1286 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs pharynx_cancer targets. Cross-check conivaptan pharmacophore against pharynx_cancer pathway. tamsulosin gestational_diabetes GAP_LOW 0.1286 0.08 tolazamide Low-priority: Computational docking tamsulosin vs gestational_diabetes targets. Cross-check tamsulosin pharmacophore against gestational_diabetes pathway. danazol leprosy GAP_LOW 0.1286 0.07692307692307693 menadione Low-priority: Computational docking danazol vs leprosy targets. Cross-check danazol pharmacophore against leprosy pathway. olmesartan meningioma GAP_LOW 0.1286 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs meningioma targets. Cross-check olmesartan pharmacophore against meningioma pathway. olmesartan chronic_kidney_failure GAP_LOW 0.1286 0.058823529411764705 clotrimazole Low-priority: Computational docking olmesartan vs chronic_kidney_failure targets. Cross-check olmesartan pharmacophore against chronic_kidney_failure pathway. nimodipine atherosclerosis GAP_LOW 0.1286 0.05555555555555555 phenelzine Low-priority: Computational docking nimodipine vs atherosclerosis targets. Cross-check nimodipine pharmacophore against atherosclerosis pathway. acetylsalicylic_acid hypothyroidism GAP_LOW 0.1286 0.0 methimazole Low-priority: Computational docking acetylsalicylic_acid vs hypothyroidism targets. Cross-check acetylsalicylic_acid pharmacophore against hypothyroidism pathway. bromodiphenhydramine hypothyroidism GAP_LOW 0.1286 0.0 methimazole Low-priority: Computational docking bromodiphenhydramine vs hypothyroidism targets. Cross-check bromodiphenhydramine pharmacophore against hypothyroidism pathway. clonidine hypothyroidism GAP_LOW 0.1286 0.0 methimazole Low-priority: Computational docking clonidine vs hypothyroidism targets. Cross-check clonidine pharmacophore against hypothyroidism pathway. deferasirox hypothyroidism GAP_LOW 0.1286 0.0 methimazole Low-priority: Computational docking deferasirox vs hypothyroidism targets. Cross-check deferasirox pharmacophore against hypothyroidism pathway. mitiglinide hypothyroidism GAP_LOW 0.1286 0.0 methimazole Low-priority: Computational docking mitiglinide vs hypothyroidism targets. Cross-check mitiglinide pharmacophore against hypothyroidism pathway. orlistat mediastinal_cancer GAP_LOW 0.1286 0.0 hydrocortisone Low-priority: Computational docking orlistat vs mediastinal_cancer targets. Cross-check orlistat pharmacophore against mediastinal_cancer pathway. orlistat primary_biliary_cirrhosis GAP_LOW 0.1286 0.0 hydrocortisone Low-priority: Computational docking orlistat vs primary_biliary_cirrhosis targets. Cross-check orlistat pharmacophore against primary_biliary_cirrhosis pathway. mazindol pancreatic_cancer GAP_HIGH 0.1285 0.425 loxapine High-priority: Binding assay mazindol→?; validate in pancreatic_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) diethylstilbestrol ankylosing_spondylitis GAP_HIGH 0.1285 0.35294117647058826 dimetacrine High-priority: Binding assay diethylstilbestrol→?; validate in ankylosing_spondylitis cell model. Expected: similar to dimetacrine (Jaccard=0.35) fludiazepam stomach_cancer GAP_HIGH 0.1285 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in stomach_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) l-dopa coronary_artery_disease GAP_HIGH 0.1285 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in coronary_artery_disease cell model. Expected: similar to carbidopa (Jaccard=0.35) bromodiphenhydramine melanoma GAP_HIGH 0.1285 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.30) podofilox systemic_lupus_erythematosus GAP_HIGH 0.1285 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to epirubicin (Jaccard=0.29) lapatinib psoriatic_arthritis GAP_HIGH 0.1285 0.2727272727272727 lidocaine High-priority: Binding assay lapatinib→?; validate in psoriatic_arthritis cell model. Expected: similar to lidocaine (Jaccard=0.27) lidocaine peripheral_nervous_system_neoplasm GAP_HIGH 0.1285 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lapatinib (Jaccard=0.27) anileridine salivary_gland_cancer GAP_HIGH 0.1285 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) drostanolone penile_cancer GAP_HIGH 0.1285 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in penile_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) aceprometazine type_1_diabetes_mellitus GAP_HIGH 0.1285 0.25 benzatropine High-priority: Binding assay aceprometazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.25) atropine chronic_kidney_failure GAP_HIGH 0.1285 0.25 nefazodone High-priority: Binding assay atropine→?; validate in chronic_kidney_failure cell model. Expected: similar to nefazodone (Jaccard=0.25) butenafine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1285 0.25 propranolol High-priority: Binding assay butenafine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propranolol (Jaccard=0.25) droperidol uterine_fibroid GAP_HIGH 0.1285 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in uterine_fibroid cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene urinary_bladder_cancer GAP_HIGH 0.1285 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in urinary_bladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) orciprenaline bipolar_disorder GAP_HIGH 0.1285 0.23076923076923078 l-dopa High-priority: Binding assay orciprenaline→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.23) mepyramine malignant_mesothelioma GAP_HIGH 0.1285 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.22) dienestrol sarcoma GAP_HIGH 0.1285 0.2 fulvestrant High-priority: Binding assay dienestrol→?; validate in sarcoma cell model. Expected: similar to fulvestrant (Jaccard=0.20) ethylmorphine celiac_disease GAP_HIGH 0.1285 0.2 mepenzolate High-priority: Binding assay ethylmorphine→?; validate in celiac_disease cell model. Expected: similar to mepenzolate (Jaccard=0.20) raloxifene dilated_cardiomyopathy GAP_HIGH 0.1285 0.2 milrinone High-priority: Binding assay raloxifene→?; validate in dilated_cardiomyopathy cell model. Expected: similar to milrinone (Jaccard=0.20) dienestrol meningioma GAP_HIGH 0.1285 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in meningioma cell model. Expected: similar to estrone (Jaccard=0.18) milnacipran idiopathic_pulmonary_fibrosis GAP_HIGH 0.1285 0.18181818181818182 atomoxetine High-priority: Binding assay milnacipran→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.18) l-citrulline amyotrophic_lateral_sclerosis GAP_HIGH 0.1285 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to l-serine (Jaccard=0.18) metolazone idiopathic_pulmonary_fibrosis GAP_LOW 0.1285 0.14285714285714285 ritodrine Low-priority: Computational docking metolazone vs idiopathic_pulmonary_fibrosis targets. Cross-check metolazone pharmacophore against idiopathic_pulmonary_fibrosis pathway. zolpidem chronic_kidney_failure GAP_LOW 0.1285 0.14285714285714285 ergocalciferol Low-priority: Computational docking zolpidem vs chronic_kidney_failure targets. Cross-check zolpidem pharmacophore against chronic_kidney_failure pathway. vorinostat alopecia_areata GAP_LOW 0.1285 0.10526315789473684 progesterone Low-priority: Computational docking vorinostat vs alopecia_areata targets. Cross-check vorinostat pharmacophore against alopecia_areata pathway. dinoprostone asthma GAP_LOW 0.1285 0.1 cyproterone_acetate Low-priority: Computational docking dinoprostone vs asthma targets. Cross-check dinoprostone pharmacophore against asthma pathway. valsartan asthma GAP_LOW 0.1285 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs asthma targets. Cross-check valsartan pharmacophore against asthma pathway. valsartan atopic_dermatitis GAP_LOW 0.1285 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs atopic_dermatitis targets. Cross-check valsartan pharmacophore against atopic_dermatitis pathway. valsartan breast_cancer GAP_LOW 0.1285 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs breast_cancer targets. Cross-check valsartan pharmacophore against breast_cancer pathway. valsartan colon_cancer GAP_LOW 0.1285 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs colon_cancer targets. Cross-check valsartan pharmacophore against colon_cancer pathway. aminocaproic_acid malaria GAP_LOW 0.1285 0.06896551724137931 methylphenobarbital Low-priority: Computational docking aminocaproic_acid vs malaria targets. Cross-check aminocaproic_acid pharmacophore against malaria pathway. l-ornithine alopecia_areata GAP_LOW 0.1285 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs alopecia_areata targets. Cross-check l-ornithine pharmacophore against alopecia_areata pathway. masoprocol pagets_disease_of_bone GAP_LOW 0.1285 0.0625 clodronate Low-priority: Computational docking masoprocol vs pagets_disease_of_bone targets. Cross-check masoprocol pharmacophore against pagets_disease_of_bone pathway. papaverine hepatitis_b GAP_LOW 0.1285 0.0625 trandolapril Low-priority: Computational docking papaverine vs hepatitis_b targets. Cross-check papaverine pharmacophore against hepatitis_b pathway. glimepiride malignant_mesothelioma GAP_LOW 0.1285 0.058823529411764705 melphalan Low-priority: Computational docking glimepiride vs malignant_mesothelioma targets. Cross-check glimepiride pharmacophore against malignant_mesothelioma pathway. quinapril celiac_disease GAP_LOW 0.1285 0.058823529411764705 salsalate Low-priority: Computational docking quinapril vs celiac_disease targets. Cross-check quinapril pharmacophore against celiac_disease pathway. orlistat gout GAP_LOW 0.1285 0.0 methdilazine Low-priority: Computational docking orlistat vs gout targets. Cross-check orlistat pharmacophore against gout pathway. orlistat thymus_cancer GAP_LOW 0.1285 0.0 hydrocortisone Low-priority: Computational docking orlistat vs thymus_cancer targets. Cross-check orlistat pharmacophore against thymus_cancer pathway. propofol nephrolithiasis GAP_LOW 0.1285 0.0 hydrocortisone Low-priority: Computational docking propofol vs nephrolithiasis targets. Cross-check propofol pharmacophore against nephrolithiasis pathway. propofol refractive_error GAP_LOW 0.1285 0.0 pirbuterol Low-priority: Computational docking propofol vs refractive_error targets. Cross-check propofol pharmacophore against refractive_error pathway. mazindol psoriasis GAP_HIGH 0.1284 0.425 loxapine High-priority: Binding assay mazindol→?; validate in psoriasis cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol ulcerative_colitis GAP_HIGH 0.1284 0.425 loxapine High-priority: Binding assay mazindol→?; validate in ulcerative_colitis cell model. Expected: similar to loxapine (Jaccard=0.42) fludiazepam pancreatic_cancer GAP_HIGH 0.1284 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in pancreatic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) brompheniramine thyroid_cancer GAP_HIGH 0.1284 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) diethylstilbestrol penile_cancer GAP_HIGH 0.1284 0.3333333333333333 loperamide High-priority: Binding assay diethylstilbestrol→?; validate in penile_cancer cell model. Expected: similar to loperamide (Jaccard=0.33) etoricoxib glaucoma GAP_HIGH 0.1284 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.33) phensuximide kidney_cancer GAP_HIGH 0.1284 0.3181818181818182 quinacrine High-priority: Binding assay phensuximide→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.32) tranylcypromine ovarian_cancer GAP_HIGH 0.1284 0.2857142857142857 methylphenidate High-priority: Binding assay tranylcypromine→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) butenafine prostate_cancer GAP_HIGH 0.1284 0.25 propranolol High-priority: Binding assay butenafine→?; validate in prostate_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) medroxyprogesterone_acetate salivary_gland_cancer GAP_HIGH 0.1284 0.25 methimazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in salivary_gland_cancer cell model. Expected: similar to methimazole (Jaccard=0.25) olanzapine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1284 0.25 olopatadine High-priority: Binding assay olanzapine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to olopatadine (Jaccard=0.25) phenindione urinary_bladder_cancer GAP_HIGH 0.1284 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) pomalidomide restless_legs_syndrome GAP_HIGH 0.1284 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in restless_legs_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine systemic_scleroderma GAP_HIGH 0.1284 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in systemic_scleroderma cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene peripheral_nervous_system_neoplasm GAP_HIGH 0.1284 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone salivary_gland_cancer GAP_HIGH 0.1284 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in salivary_gland_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) sulfanilamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1284 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.22) thalidomide prostate_cancer GAP_HIGH 0.1284 0.2222222222222222 pemetrexed High-priority: Binding assay thalidomide→?; validate in prostate_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.22) ethylmorphine malignant_mesothelioma GAP_HIGH 0.1284 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.21) nandrolone_phenpropionate amyotrophic_lateral_sclerosis GAP_HIGH 0.1284 0.21052631578947367 fludrocortisone High-priority: Binding assay nandrolone_phenpropionate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.21) disopyramide pharynx_cancer GAP_HIGH 0.1284 0.2 phenylbutazone High-priority: Binding assay disopyramide→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.20) tolazoline liver_cancer GAP_HIGH 0.1284 0.2 mitiglinide High-priority: Binding assay tolazoline→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.20) ziprasidone azoospermia GAP_HIGH 0.1284 0.2 trifluoperazine High-priority: Binding assay ziprasidone→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.20) codeine lung_cancer GAP_HIGH 0.1284 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in lung_cancer cell model. Expected: similar to benzatropine (Jaccard=0.18) codeine rectum_cancer GAP_HIGH 0.1284 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.18) agomelatine glaucoma GAP_HIGH 0.1284 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in glaucoma cell model. Expected: similar to procarbazine (Jaccard=0.15) methocarbamol colon_cancer GAP_LOW 0.1284 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs colon_cancer targets. Cross-check methocarbamol pharmacophore against colon_cancer pathway. tolazamide attention_deficit_hyperactivity_disorder GAP_LOW 0.1284 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs attention_deficit_hyperactivity_disorder targets. Cross-check tolazamide pharmacophore against attention_deficit_hyperactivity_disorder pathway. quinacrine idiopathic_pulmonary_fibrosis GAP_LOW 0.1284 0.13043478260869565 ephedrine Low-priority: Computational docking quinacrine vs idiopathic_pulmonary_fibrosis targets. Cross-check quinacrine pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-arginine ankylosing_spondylitis GAP_LOW 0.1284 0.125 pseudoephedrine Low-priority: Computational docking l-arginine vs ankylosing_spondylitis targets. Cross-check l-arginine pharmacophore against ankylosing_spondylitis pathway. carvedilol alzheimers_disease GAP_LOW 0.1284 0.1111111111111111 ketoprofen Low-priority: Computational docking carvedilol vs alzheimers_disease targets. Cross-check carvedilol pharmacophore against alzheimers_disease pathway. carvedilol parkinsons_disease GAP_LOW 0.1284 0.1111111111111111 ketoprofen Low-priority: Computational docking carvedilol vs parkinsons_disease targets. Cross-check carvedilol pharmacophore against parkinsons_disease pathway. dinoprostone breast_cancer GAP_LOW 0.1284 0.1 cyproterone_acetate Low-priority: Computational docking dinoprostone vs breast_cancer targets. Cross-check dinoprostone pharmacophore against breast_cancer pathway. valsartan allergic_rhinitis GAP_LOW 0.1284 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs allergic_rhinitis targets. Cross-check valsartan pharmacophore against allergic_rhinitis pathway. valsartan stomach_cancer GAP_LOW 0.1284 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs stomach_cancer targets. Cross-check valsartan pharmacophore against stomach_cancer pathway. conivaptan thyroid_cancer GAP_LOW 0.1284 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs thyroid_cancer targets. Cross-check conivaptan pharmacophore against thyroid_cancer pathway. calcium_acetate polycystic_ovary_syndrome GAP_LOW 0.1284 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs polycystic_ovary_syndrome targets. Cross-check calcium_acetate pharmacophore against polycystic_ovary_syndrome pathway. irbesartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1284 0.0625 masoprocol Low-priority: Computational docking irbesartan vs idiopathic_pulmonary_fibrosis targets. Cross-check irbesartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. ranolazine head_and_neck_cancer GAP_LOW 0.1284 0.0625 epirubicin Low-priority: Computational docking ranolazine vs head_and_neck_cancer targets. Cross-check ranolazine pharmacophore against head_and_neck_cancer pathway. ranolazine malignant_glioma GAP_LOW 0.1284 0.0625 epirubicin Low-priority: Computational docking ranolazine vs malignant_glioma targets. Cross-check ranolazine pharmacophore against malignant_glioma pathway. progesterone hypothyroidism GAP_LOW 0.1284 0.058823529411764705 methimazole Low-priority: Computational docking progesterone vs hypothyroidism targets. Cross-check progesterone pharmacophore against hypothyroidism pathway. quinapril chronic_kidney_failure GAP_LOW 0.1284 0.058823529411764705 salsalate Low-priority: Computational docking quinapril vs chronic_kidney_failure targets. Cross-check quinapril pharmacophore against chronic_kidney_failure pathway. l-citrulline dilated_cardiomyopathy GAP_LOW 0.1284 0.034482758620689655 trandolapril Low-priority: Computational docking l-citrulline vs dilated_cardiomyopathy targets. Cross-check l-citrulline pharmacophore against dilated_cardiomyopathy pathway. orlistat coronary_artery_disease GAP_LOW 0.1284 0.0 hydrocortisone Low-priority: Computational docking orlistat vs coronary_artery_disease targets. Cross-check orlistat pharmacophore against coronary_artery_disease pathway. clomipramine gout GAP_HIGH 0.1283 0.46153846153846156 methdilazine High-priority: Binding assay clomipramine→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.46) diphenylpyraline gout GAP_HIGH 0.1283 0.45454545454545453 modafinil High-priority: Binding assay diphenylpyraline→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.45) mazindol osteoporosis GAP_HIGH 0.1283 0.425 loxapine High-priority: Binding assay mazindol→?; validate in osteoporosis cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol uterine_cancer GAP_HIGH 0.1283 0.425 loxapine High-priority: Binding assay mazindol→?; validate in uterine_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) fludiazepam uterine_cancer GAP_HIGH 0.1283 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in uterine_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) lacosamide sclerosing_cholangitis GAP_HIGH 0.1283 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.33) diclofenac uterine_fibroid GAP_HIGH 0.1283 0.3125 clozapine High-priority: Binding assay diclofenac→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.31) oxcarbazepine meningioma GAP_HIGH 0.1283 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.31) dydrogesterone esophageal_cancer GAP_HIGH 0.1283 0.2857142857142857 betamethasone High-priority: Binding assay dydrogesterone→?; validate in esophageal_cancer cell model. Expected: similar to betamethasone (Jaccard=0.29) ketorolac autistic_disorder GAP_HIGH 0.1283 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in autistic_disorder cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) ketorolac nicotine_dependence GAP_HIGH 0.1283 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in nicotine_dependence cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) flunarizine polycystic_ovary_syndrome GAP_HIGH 0.1283 0.2727272727272727 papaverine High-priority: Binding assay flunarizine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to papaverine (Jaccard=0.27) flunarizine type_2_diabetes_mellitus GAP_HIGH 0.1283 0.2727272727272727 papaverine High-priority: Binding assay flunarizine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to papaverine (Jaccard=0.27) tripelennamine peripheral_nervous_system_neoplasm GAP_HIGH 0.1283 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.27) tripelennamine urinary_bladder_cancer GAP_HIGH 0.1283 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.27) anileridine muscle_cancer GAP_HIGH 0.1283 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in muscle_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) podofilox chronic_kidney_failure GAP_HIGH 0.1283 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in chronic_kidney_failure cell model. Expected: similar to amsacrine (Jaccard=0.25) pomalidomide polycystic_ovary_syndrome GAP_HIGH 0.1283 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) bepotastine uterine_fibroid GAP_HIGH 0.1283 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in uterine_fibroid cell model. Expected: similar to loperamide (Jaccard=0.24) lapatinib azoospermia GAP_HIGH 0.1283 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) flunarizine chronic_kidney_failure GAP_HIGH 0.1283 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.23) naloxone muscle_cancer GAP_HIGH 0.1283 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in muscle_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) phenformin membranous_glomerulonephritis GAP_HIGH 0.1283 0.2222222222222222 mitiglinide High-priority: Binding assay phenformin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.22) antazoline malaria GAP_HIGH 0.1283 0.21428571428571427 modafinil High-priority: Binding assay antazoline→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) dienestrol systemic_lupus_erythematosus GAP_HIGH 0.1283 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol crohns_disease GAP_HIGH 0.1283 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in crohns_disease cell model. Expected: similar to estrone (Jaccard=0.18) methocarbamol stomach_cancer GAP_LOW 0.1283 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs stomach_cancer targets. Cross-check methocarbamol pharmacophore against stomach_cancer pathway. dinoprostone allergic_rhinitis GAP_LOW 0.1283 0.1 cyproterone_acetate Low-priority: Computational docking dinoprostone vs allergic_rhinitis targets. Cross-check dinoprostone pharmacophore against allergic_rhinitis pathway. levonorgestrel leprosy GAP_LOW 0.1283 0.07692307692307693 menadione Low-priority: Computational docking levonorgestrel vs leprosy targets. Cross-check levonorgestrel pharmacophore against leprosy pathway. zolmitriptan pharynx_cancer GAP_LOW 0.1283 0.07692307692307693 loperamide Low-priority: Computational docking zolmitriptan vs pharynx_cancer targets. Cross-check zolmitriptan pharmacophore against pharynx_cancer pathway. isradipine hepatitis_b GAP_LOW 0.1283 0.0625 nateglinide Low-priority: Computational docking isradipine vs hepatitis_b targets. Cross-check isradipine pharmacophore against hepatitis_b pathway. calcium_acetate azoospermia GAP_LOW 0.1283 0.05555555555555555 phenylpropanolamine Low-priority: Computational docking calcium_acetate vs azoospermia targets. Cross-check calcium_acetate pharmacophore against azoospermia pathway. aminolevulinic_acid pancreatic_cancer GAP_LOW 0.1283 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs pancreatic_cancer targets. Cross-check aminolevulinic_acid pharmacophore against pancreatic_cancer pathway. aminolevulinic_acid ulcerative_colitis GAP_LOW 0.1283 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs ulcerative_colitis targets. Cross-check aminolevulinic_acid pharmacophore against ulcerative_colitis pathway. quazepam pharynx_cancer GAP_LOW 0.1283 0.05 phenylbutazone Low-priority: Computational docking quazepam vs pharynx_cancer targets. Cross-check quazepam pharmacophore against pharynx_cancer pathway. glutethimide alopecia_areata GAP_LOW 0.1283 0.037037037037037035 fluticasone_propionate Low-priority: Computational docking glutethimide vs alopecia_areata targets. Cross-check glutethimide pharmacophore against alopecia_areata pathway. labetalol malaria GAP_LOW 0.1283 0.023809523809523808 phensuximide Low-priority: Computational docking labetalol vs malaria targets. Cross-check labetalol pharmacophore against malaria pathway. acenocoumarol pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking acenocoumarol vs pagets_disease_of_bone targets. Cross-check acenocoumarol pharmacophore against pagets_disease_of_bone pathway. adenosine_monophosphate pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking adenosine_monophosphate vs pagets_disease_of_bone targets. Cross-check adenosine_monophosphate pharmacophore against pagets_disease_of_bone pathway. amoxapine pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking amoxapine vs pagets_disease_of_bone targets. Cross-check amoxapine pharmacophore against pagets_disease_of_bone pathway. mepyramine pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking mepyramine vs pagets_disease_of_bone targets. Cross-check mepyramine pharmacophore against pagets_disease_of_bone pathway. orlistat hematologic_cancer GAP_LOW 0.1283 0.0 hydrocortisone Low-priority: Computational docking orlistat vs hematologic_cancer targets. Cross-check orlistat pharmacophore against hematologic_cancer pathway. orlistat narcolepsy GAP_LOW 0.1283 0.0 phenylbutazone Low-priority: Computational docking orlistat vs narcolepsy targets. Cross-check orlistat pharmacophore against narcolepsy pathway. pralatrexate pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking pralatrexate vs pagets_disease_of_bone targets. Cross-check pralatrexate pharmacophore against pagets_disease_of_bone pathway. propofol celiac_disease GAP_LOW 0.1283 0.0 hydrocortisone Low-priority: Computational docking propofol vs celiac_disease targets. Cross-check propofol pharmacophore against celiac_disease pathway. tripelennamine pagets_disease_of_bone GAP_LOW 0.1283 0.0 ibandronate Low-priority: Computational docking tripelennamine vs pagets_disease_of_bone targets. Cross-check tripelennamine pharmacophore against pagets_disease_of_bone pathway. chlorpromazine muscle_cancer GAP_HIGH 0.1282 0.4444444444444444 azelastine High-priority: Binding assay chlorpromazine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.44) drospirenone mediastinal_cancer GAP_HIGH 0.1282 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in mediastinal_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) propericiazine urinary_bladder_cancer GAP_HIGH 0.1282 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) phensuximide pancreatitis GAP_HIGH 0.1282 0.35555555555555557 chlorpromazine High-priority: Binding assay phensuximide→?; validate in pancreatitis cell model. Expected: similar to chlorpromazine (Jaccard=0.36) levorphanol intracranial_aneurysm GAP_HIGH 0.1282 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in intracranial_aneurysm cell model. Expected: similar to exemestane (Jaccard=0.28) anileridine ocular_cancer GAP_HIGH 0.1282 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) flunarizine narcolepsy GAP_HIGH 0.1282 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in narcolepsy cell model. Expected: similar to cinnarizine (Jaccard=0.25) droperidol polycystic_ovary_syndrome GAP_HIGH 0.1282 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol type_2_diabetes_mellitus GAP_HIGH 0.1282 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to loperamide (Jaccard=0.24) testosterone alopecia_areata GAP_HIGH 0.1282 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in alopecia_areata cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) naloxone ocular_cancer GAP_HIGH 0.1282 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in ocular_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) naloxone rectum_cancer GAP_HIGH 0.1282 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in rectum_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) bepotastine chronic_kidney_failure GAP_HIGH 0.1282 0.2 nefazodone High-priority: Binding assay bepotastine→?; validate in chronic_kidney_failure cell model. Expected: similar to nefazodone (Jaccard=0.20) antipyrine meningioma GAP_HIGH 0.1282 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.19) codeine liver_cancer GAP_HIGH 0.1282 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.18) diclofenamide systemic_scleroderma GAP_HIGH 0.1282 0.16666666666666666 indapamide High-priority: Binding assay diclofenamide→?; validate in systemic_scleroderma cell model. Expected: similar to indapamide (Jaccard=0.17) agomelatine intracranial_aneurysm GAP_HIGH 0.1282 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.15) methocarbamol ulcerative_colitis GAP_LOW 0.1282 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs ulcerative_colitis targets. Cross-check methocarbamol pharmacophore against ulcerative_colitis pathway. lercanidipine osteoporosis GAP_LOW 0.1282 0.11764705882352941 oxybuprocaine Low-priority: Computational docking lercanidipine vs osteoporosis targets. Cross-check lercanidipine pharmacophore against osteoporosis pathway. pasireotide hematologic_cancer GAP_LOW 0.1282 0.1 salicylate-sodium Low-priority: Computational docking pasireotide vs hematologic_cancer targets. Cross-check pasireotide pharmacophore against hematologic_cancer pathway. pasireotide narcolepsy GAP_LOW 0.1282 0.1 salicylate-sodium Low-priority: Computational docking pasireotide vs narcolepsy targets. Cross-check pasireotide pharmacophore against narcolepsy pathway. dinoprostone creutzfeldt-jakob_disease GAP_LOW 0.1282 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs creutzfeldt-jakob_disease targets. Cross-check dinoprostone pharmacophore against creutzfeldt-jakob_disease pathway. valsartan migraine GAP_LOW 0.1282 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs migraine targets. Cross-check valsartan pharmacophore against migraine pathway. valsartan ovarian_cancer GAP_LOW 0.1282 0.09090909090909091 desipramine Low-priority: Computational docking valsartan vs ovarian_cancer targets. Cross-check valsartan pharmacophore against ovarian_cancer pathway. calcium_acetate creutzfeldt-jakob_disease GAP_LOW 0.1282 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs creutzfeldt-jakob_disease targets. Cross-check calcium_acetate pharmacophore against creutzfeldt-jakob_disease pathway. ponatinib bone_cancer GAP_LOW 0.1282 0.06666666666666667 alendronate Low-priority: Computational docking ponatinib vs bone_cancer targets. Cross-check ponatinib pharmacophore against bone_cancer pathway. aminolevulinic_acid multiple_sclerosis GAP_LOW 0.1282 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs multiple_sclerosis targets. Cross-check aminolevulinic_acid pharmacophore against multiple_sclerosis pathway. aminolevulinic_acid psoriasis GAP_LOW 0.1282 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs psoriasis targets. Cross-check aminolevulinic_acid pharmacophore against psoriasis pathway. clofedanol primary_biliary_cirrhosis GAP_HIGH 0.1281 0.4642857142857143 toremifene High-priority: Binding assay clofedanol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.46) drospirenone thymus_cancer GAP_HIGH 0.1281 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in thymus_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) bromfenac alzheimers_disease GAP_HIGH 0.1281 0.4090909090909091 naproxen High-priority: Binding assay bromfenac→?; validate in alzheimers_disease cell model. Expected: similar to naproxen (Jaccard=0.41) perphenazine skin_cancer GAP_HIGH 0.1281 0.4090909090909091 thiothixene High-priority: Binding assay perphenazine→?; validate in skin_cancer cell model. Expected: similar to thiothixene (Jaccard=0.41) oxaprozin prostate_cancer GAP_HIGH 0.1281 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) oxcarbazepine crohns_disease GAP_HIGH 0.1281 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in crohns_disease cell model. Expected: similar to phenylbutazone (Jaccard=0.31) bromodiphenhydramine sclerosing_cholangitis GAP_HIGH 0.1281 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tamoxifen (Jaccard=0.30) tolterodine vaginal_cancer GAP_HIGH 0.1281 0.3 aprindine High-priority: Binding assay tolterodine→?; validate in vaginal_cancer cell model. Expected: similar to aprindine (Jaccard=0.30) prednisolone type_1_diabetes_mellitus GAP_HIGH 0.1281 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to amcinonide (Jaccard=0.29) lidocaine colon_cancer GAP_HIGH 0.1281 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in colon_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) danazol pancreatitis GAP_HIGH 0.1281 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in pancreatitis cell model. Expected: similar to paclitaxel (Jaccard=0.25) danazol salivary_gland_cancer GAP_HIGH 0.1281 0.25 paclitaxel High-priority: Binding assay danazol→?; validate in salivary_gland_cancer cell model. Expected: similar to paclitaxel (Jaccard=0.25) fulvestrant head_and_neck_cancer GAP_HIGH 0.1281 0.25 loteprednol High-priority: Binding assay fulvestrant→?; validate in head_and_neck_cancer cell model. Expected: similar to loteprednol (Jaccard=0.25) pomalidomide rheumatoid_arthritis GAP_HIGH 0.1281 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in rheumatoid_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) zidovudine hypertension GAP_HIGH 0.1281 0.25 trimetrexate High-priority: Binding assay zidovudine→?; validate in hypertension cell model. Expected: similar to trimetrexate (Jaccard=0.25) cladribine pancreatitis GAP_HIGH 0.1281 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.22) adinazolam skin_cancer GAP_HIGH 0.1281 0.2 oxcarbazepine High-priority: Binding assay adinazolam→?; validate in skin_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.20) estazolam malaria GAP_HIGH 0.1281 0.18181818181818182 antipyrine High-priority: Binding assay estazolam→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.18) codeine malignant_mesothelioma GAP_HIGH 0.1281 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.16) methocarbamol ovarian_cancer GAP_LOW 0.1281 0.13333333333333333 cyclopentolate Low-priority: Computational docking methocarbamol vs ovarian_cancer targets. Cross-check methocarbamol pharmacophore against ovarian_cancer pathway. tolazamide conduct_disorder GAP_LOW 0.1281 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs conduct_disorder targets. Cross-check tolazamide pharmacophore against conduct_disorder pathway. carvedilol attention_deficit_hyperactivity_disorder GAP_LOW 0.1281 0.1111111111111111 ketoprofen Low-priority: Computational docking carvedilol vs attention_deficit_hyperactivity_disorder targets. Cross-check carvedilol pharmacophore against attention_deficit_hyperactivity_disorder pathway. dinoprostone multiple_sclerosis GAP_LOW 0.1281 0.1 cyproterone_acetate Low-priority: Computational docking dinoprostone vs multiple_sclerosis targets. Cross-check dinoprostone pharmacophore against multiple_sclerosis pathway. methyclothiazide alcohol_dependence GAP_LOW 0.1281 0.0975609756097561 mazindol Low-priority: Computational docking methyclothiazide vs alcohol_dependence targets. Cross-check methyclothiazide pharmacophore against alcohol_dependence pathway. etoricoxib pagets_disease_of_bone GAP_LOW 0.1281 0.09090909090909091 clodronate Low-priority: Computational docking etoricoxib vs pagets_disease_of_bone targets. Cross-check etoricoxib pharmacophore against pagets_disease_of_bone pathway. glipizide pharynx_cancer GAP_LOW 0.1281 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs pharynx_cancer targets. Cross-check glipizide pharmacophore against pharynx_cancer pathway. calcium_acetate rheumatoid_arthritis GAP_LOW 0.1281 0.07692307692307693 tolbutamide Low-priority: Computational docking calcium_acetate vs rheumatoid_arthritis targets. Cross-check calcium_acetate pharmacophore against rheumatoid_arthritis pathway. candesartan narcolepsy GAP_LOW 0.1281 0.07692307692307693 isoprenaline Low-priority: Computational docking candesartan vs narcolepsy targets. Cross-check candesartan pharmacophore against narcolepsy pathway. carboprost_tromethamine alzheimers_disease GAP_LOW 0.1281 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs alzheimers_disease targets. Cross-check carboprost_tromethamine pharmacophore against alzheimers_disease pathway. carboprost_tromethamine parkinsons_disease GAP_LOW 0.1281 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs parkinsons_disease targets. Cross-check carboprost_tromethamine pharmacophore against parkinsons_disease pathway. carvedilol brain_cancer GAP_LOW 0.1281 0.06666666666666667 doxorubicin Low-priority: Computational docking carvedilol vs brain_cancer targets. Cross-check carvedilol pharmacophore against brain_cancer pathway. glisoxepide esophageal_cancer GAP_LOW 0.1281 0.05263157894736842 melphalan Low-priority: Computational docking glisoxepide vs esophageal_cancer targets. Cross-check glisoxepide pharmacophore against esophageal_cancer pathway. methohexital celiac_disease GAP_LOW 0.1281 0.02702702702702703 pseudoephedrine Low-priority: Computational docking methohexital vs celiac_disease targets. Cross-check methohexital pharmacophore against celiac_disease pathway. adenine hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking adenine vs hypothyroidism targets. Cross-check adenine pharmacophore against hypothyroidism pathway. chlordiazepoxide hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking chlordiazepoxide vs hypothyroidism targets. Cross-check chlordiazepoxide pharmacophore against hypothyroidism pathway. clenbuterol malaria GAP_LOW 0.1281 0.0 ethotoin Low-priority: Computational docking clenbuterol vs malaria targets. Cross-check clenbuterol pharmacophore against malaria pathway. equilin malaria GAP_LOW 0.1281 0.0 ethotoin Low-priority: Computational docking equilin vs malaria targets. Cross-check equilin pharmacophore against malaria pathway. masoprocol hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking masoprocol vs hypothyroidism targets. Cross-check masoprocol pharmacophore against hypothyroidism pathway. mazindol hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking mazindol vs hypothyroidism targets. Cross-check mazindol pharmacophore against hypothyroidism pathway. prednisolone hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking prednisolone vs hypothyroidism targets. Cross-check prednisolone pharmacophore against hypothyroidism pathway. tioguanine hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking tioguanine vs hypothyroidism targets. Cross-check tioguanine pharmacophore against hypothyroidism pathway. topotecan hypothyroidism GAP_LOW 0.1281 0.0 methimazole Low-priority: Computational docking topotecan vs hypothyroidism targets. Cross-check topotecan pharmacophore against hypothyroidism pathway. butenafine coronary_artery_disease GAP_HIGH 0.128 0.25 propranolol High-priority: Binding assay butenafine→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.25) lidocaine meningioma GAP_HIGH 0.128 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in meningioma cell model. Expected: similar to docetaxel (Jaccard=0.25) phenindamine membranous_glomerulonephritis GAP_HIGH 0.128 0.25 thioridazine High-priority: Binding assay phenindamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to thioridazine (Jaccard=0.25) fluspirilene hypertension GAP_HIGH 0.128 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in hypertension cell model. Expected: similar to loperamide (Jaccard=0.24) naloxone liver_cancer GAP_HIGH 0.128 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in liver_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) aspartame coronary_artery_disease GAP_HIGH 0.128 0.21428571428571427 nateglinide High-priority: Binding assay aspartame→?; validate in coronary_artery_disease cell model. Expected: similar to nateglinide (Jaccard=0.21) dienestrol testicular_cancer GAP_HIGH 0.128 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in testicular_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol vaginal_cancer GAP_HIGH 0.128 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in vaginal_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dienestrol vulva_cancer GAP_HIGH 0.128 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in vulva_cancer cell model. Expected: similar to mestranol (Jaccard=0.20) dipivefrin pancreatitis GAP_HIGH 0.128 0.2 methyldopa High-priority: Binding assay dipivefrin→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.20) fluspirilene chronic_kidney_failure GAP_HIGH 0.128 0.2 nefazodone High-priority: Binding assay fluspirilene→?; validate in chronic_kidney_failure cell model. Expected: similar to nefazodone (Jaccard=0.20) thalidomide type_1_diabetes_mellitus GAP_HIGH 0.128 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to olsalazine (Jaccard=0.19) diphenidol malaria GAP_HIGH 0.128 0.18518518518518517 modafinil High-priority: Binding assay diphenidol→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.19) l-citrulline asthma GAP_HIGH 0.128 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in asthma cell model. Expected: similar to l-serine (Jaccard=0.18) codeine peripheral_nervous_system_neoplasm GAP_HIGH 0.128 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.18) aspartame lymphatic_system_cancer GAP_HIGH 0.128 0.16666666666666666 aciclovir High-priority: Binding assay aspartame→?; validate in lymphatic_system_cancer cell model. Expected: similar to aciclovir (Jaccard=0.17) remifentanil salivary_gland_cancer GAP_HIGH 0.128 0.15384615384615385 lacosamide High-priority: Binding assay remifentanil→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) metolazone hematologic_cancer GAP_LOW 0.128 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs hematologic_cancer targets. Cross-check metolazone pharmacophore against hematologic_cancer pathway. metolazone narcolepsy GAP_LOW 0.128 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs narcolepsy targets. Cross-check metolazone pharmacophore against narcolepsy pathway. tolazamide bipolar_disorder GAP_LOW 0.128 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs bipolar_disorder targets. Cross-check tolazamide pharmacophore against bipolar_disorder pathway. nisoldipine duodenum_cancer GAP_LOW 0.128 0.12 meclizine Low-priority: Computational docking nisoldipine vs duodenum_cancer targets. Cross-check nisoldipine pharmacophore against duodenum_cancer pathway. nisoldipine gallbladder_cancer GAP_LOW 0.128 0.12 meclizine Low-priority: Computational docking nisoldipine vs gallbladder_cancer targets. Cross-check nisoldipine pharmacophore against gallbladder_cancer pathway. cladribine bone_cancer GAP_LOW 0.128 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs bone_cancer targets. Cross-check cladribine pharmacophore against bone_cancer pathway. travoprost idiopathic_pulmonary_fibrosis GAP_LOW 0.128 0.1 prednicarbate Low-priority: Computational docking travoprost vs idiopathic_pulmonary_fibrosis targets. Cross-check travoprost pharmacophore against idiopathic_pulmonary_fibrosis pathway. travoprost prostate_cancer GAP_LOW 0.128 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs prostate_cancer targets. Cross-check travoprost pharmacophore against prostate_cancer pathway. candesartan ovarian_cancer GAP_LOW 0.128 0.09090909090909091 orciprenaline Low-priority: Computational docking candesartan vs ovarian_cancer targets. Cross-check candesartan pharmacophore against ovarian_cancer pathway. esmolol gilles_de_la_tourette_syndrome GAP_LOW 0.128 0.09090909090909091 alvimopan Low-priority: Computational docking esmolol vs gilles_de_la_tourette_syndrome targets. Cross-check esmolol pharmacophore against gilles_de_la_tourette_syndrome pathway. losartan lung_cancer GAP_LOW 0.128 0.09090909090909091 dexamethasone Low-priority: Computational docking losartan vs lung_cancer targets. Cross-check losartan pharmacophore against lung_cancer pathway. conivaptan salivary_gland_cancer GAP_LOW 0.128 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs salivary_gland_cancer targets. Cross-check conivaptan pharmacophore against salivary_gland_cancer pathway. glisoxepide pharynx_cancer GAP_LOW 0.128 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs pharynx_cancer targets. Cross-check glisoxepide pharmacophore against pharynx_cancer pathway. carboprost_tromethamine amyotrophic_lateral_sclerosis GAP_LOW 0.128 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs amyotrophic_lateral_sclerosis targets. Cross-check carboprost_tromethamine pharmacophore against amyotrophic_lateral_sclerosis pathway. carboprost_tromethamine autistic_disorder GAP_LOW 0.128 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs autistic_disorder targets. Cross-check carboprost_tromethamine pharmacophore against autistic_disorder pathway. carboprost_tromethamine nicotine_dependence GAP_LOW 0.128 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs nicotine_dependence targets. Cross-check carboprost_tromethamine pharmacophore against nicotine_dependence pathway. glipizide germ_cell_cancer GAP_LOW 0.128 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs germ_cell_cancer targets. Cross-check glipizide pharmacophore against germ_cell_cancer pathway. valsartan mediastinal_cancer GAP_LOW 0.128 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs mediastinal_cancer targets. Cross-check valsartan pharmacophore against mediastinal_cancer pathway. glisoxepide azoospermia GAP_LOW 0.128 0.06666666666666667 aprindine Low-priority: Computational docking glisoxepide vs azoospermia targets. Cross-check glisoxepide pharmacophore against azoospermia pathway. methocarbamol atherosclerosis GAP_LOW 0.128 0.06666666666666667 phenacemide Low-priority: Computational docking methocarbamol vs atherosclerosis targets. Cross-check methocarbamol pharmacophore against atherosclerosis pathway. aminolevulinic_acid obesity GAP_LOW 0.128 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs obesity targets. Cross-check aminolevulinic_acid pharmacophore against obesity pathway. hydrocortisone hypothyroidism GAP_LOW 0.128 0.05263157894736842 methimazole Low-priority: Computational docking hydrocortisone vs hypothyroidism targets. Cross-check hydrocortisone pharmacophore against hypothyroidism pathway. midodrine dilated_cardiomyopathy GAP_LOW 0.128 0.05263157894736842 medrysone Low-priority: Computational docking midodrine vs dilated_cardiomyopathy targets. Cross-check midodrine pharmacophore against dilated_cardiomyopathy pathway. candesartan type_1_diabetes_mellitus GAP_LOW 0.128 0.05 droxidopa Low-priority: Computational docking candesartan vs type_1_diabetes_mellitus targets. Cross-check candesartan pharmacophore against type_1_diabetes_mellitus pathway. amlodipine dilated_cardiomyopathy GAP_LOW 0.128 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs dilated_cardiomyopathy targets. Cross-check amlodipine pharmacophore against dilated_cardiomyopathy pathway. conivaptan dilated_cardiomyopathy GAP_LOW 0.128 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs dilated_cardiomyopathy targets. Cross-check conivaptan pharmacophore against dilated_cardiomyopathy pathway. eprosartan dilated_cardiomyopathy GAP_LOW 0.128 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs dilated_cardiomyopathy targets. Cross-check eprosartan pharmacophore against dilated_cardiomyopathy pathway. glisoxepide dilated_cardiomyopathy GAP_LOW 0.128 0.0 hydrocortisone Low-priority: Computational docking glisoxepide vs dilated_cardiomyopathy targets. Cross-check glisoxepide pharmacophore against dilated_cardiomyopathy pathway. pipotiazine mediastinal_cancer GAP_HIGH 0.1279 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.44) methotrimeprazine melanoma GAP_HIGH 0.1279 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.39) oxaprozin mediastinal_cancer GAP_HIGH 0.1279 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) brompheniramine muscle_cancer GAP_HIGH 0.1279 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) aprindine coronary_artery_disease GAP_HIGH 0.1279 0.3 bromodiphenhydramine High-priority: Binding assay aprindine→?; validate in coronary_artery_disease cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.30) bevantolol refractive_error GAP_HIGH 0.1279 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in refractive_error cell model. Expected: similar to propranolol (Jaccard=0.29) lidocaine ulcerative_colitis GAP_HIGH 0.1279 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in ulcerative_colitis cell model. Expected: similar to lapatinib (Jaccard=0.27) anileridine urinary_bladder_cancer GAP_HIGH 0.1279 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in urinary_bladder_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) estazolam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1279 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clomipramine (Jaccard=0.25) bepotastine polycystic_ovary_syndrome GAP_HIGH 0.1279 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loperamide (Jaccard=0.24) bepotastine type_2_diabetes_mellitus GAP_HIGH 0.1279 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol rheumatoid_arthritis GAP_HIGH 0.1279 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in rheumatoid_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene stomach_cancer GAP_HIGH 0.1279 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in stomach_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) flurazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1279 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.22) benzphetamine alcohol_dependence GAP_HIGH 0.1279 0.21052631578947367 ethylmorphine High-priority: Binding assay benzphetamine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.21) pirbuterol crohns_disease GAP_HIGH 0.1279 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in crohns_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) naloxone head_and_neck_cancer GAP_HIGH 0.1279 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in head_and_neck_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.18) naloxone malignant_glioma GAP_HIGH 0.1279 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in malignant_glioma cell model. Expected: similar to dexamethasone (Jaccard=0.18) quinethazone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1279 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ritodrine (Jaccard=0.18) l-citrulline allergic_rhinitis GAP_HIGH 0.1279 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in allergic_rhinitis cell model. Expected: similar to l-serine (Jaccard=0.18) l-citrulline colon_cancer GAP_HIGH 0.1279 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in colon_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) proparacaine crohns_disease GAP_HIGH 0.1279 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.18) agomelatine alopecia_areata GAP_LOW 0.1279 0.14285714285714285 flurandrenolide Low-priority: Computational docking agomelatine vs alopecia_areata targets. Cross-check agomelatine pharmacophore against alopecia_areata pathway. anisindione penile_cancer GAP_LOW 0.1279 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs penile_cancer targets. Cross-check anisindione pharmacophore against penile_cancer pathway. melatonin esophageal_cancer GAP_LOW 0.1279 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs esophageal_cancer targets. Cross-check melatonin pharmacophore against esophageal_cancer pathway. terbutaline dilated_cardiomyopathy GAP_LOW 0.1279 0.14285714285714285 milrinone Low-priority: Computational docking terbutaline vs dilated_cardiomyopathy targets. Cross-check terbutaline pharmacophore against dilated_cardiomyopathy pathway. norepinephrine alopecia_areata GAP_LOW 0.1279 0.13333333333333333 estradiol Low-priority: Computational docking norepinephrine vs alopecia_areata targets. Cross-check norepinephrine pharmacophore against alopecia_areata pathway. tolazamide endogenous_depression GAP_LOW 0.1279 0.13333333333333333 lisinopril Low-priority: Computational docking tolazamide vs endogenous_depression targets. Cross-check tolazamide pharmacophore against endogenous_depression pathway. lercanidipine systemic_lupus_erythematosus GAP_LOW 0.1279 0.11764705882352941 oxybuprocaine Low-priority: Computational docking lercanidipine vs systemic_lupus_erythematosus targets. Cross-check lercanidipine pharmacophore against systemic_lupus_erythematosus pathway. ranolazine pharynx_cancer GAP_LOW 0.1279 0.08823529411764706 modafinil Low-priority: Computational docking ranolazine vs pharynx_cancer targets. Cross-check ranolazine pharmacophore against pharynx_cancer pathway. calcium_acetate psoriatic_arthritis GAP_LOW 0.1279 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking calcium_acetate vs psoriatic_arthritis targets. Cross-check calcium_acetate pharmacophore against psoriatic_arthritis pathway. tetracycline multiple_sclerosis GAP_LOW 0.1279 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs multiple_sclerosis targets. Cross-check tetracycline pharmacophore against multiple_sclerosis pathway. tetracycline osteoporosis GAP_LOW 0.1279 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs osteoporosis targets. Cross-check tetracycline pharmacophore against osteoporosis pathway. valsartan thymus_cancer GAP_LOW 0.1279 0.07142857142857142 voacamine Low-priority: Computational docking valsartan vs thymus_cancer targets. Cross-check valsartan pharmacophore against thymus_cancer pathway. calcium_acetate pharynx_cancer GAP_LOW 0.1279 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs pharynx_cancer targets. Cross-check calcium_acetate pharmacophore against pharynx_cancer pathway. tetracycline duodenum_cancer GAP_LOW 0.1279 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs duodenum_cancer targets. Cross-check tetracycline pharmacophore against duodenum_cancer pathway. tetracycline gallbladder_cancer GAP_LOW 0.1279 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs gallbladder_cancer targets. Cross-check tetracycline pharmacophore against gallbladder_cancer pathway. tetracycline melanoma GAP_LOW 0.1279 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs melanoma targets. Cross-check tetracycline pharmacophore against melanoma pathway. aminolevulinic_acid systemic_scleroderma GAP_LOW 0.1279 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs systemic_scleroderma targets. Cross-check aminolevulinic_acid pharmacophore against systemic_scleroderma pathway. aminolevulinic_acid systemic_lupus_erythematosus GAP_LOW 0.1279 0.05128205128205128 cyclopentolate Low-priority: Computational docking aminolevulinic_acid vs systemic_lupus_erythematosus targets. Cross-check aminolevulinic_acid pharmacophore against systemic_lupus_erythematosus pathway. quinapril focal_segmental_glomerulosclerosis GAP_LOW 0.1279 0.047619047619047616 tamsulosin Low-priority: Computational docking quinapril vs focal_segmental_glomerulosclerosis targets. Cross-check quinapril pharmacophore against focal_segmental_glomerulosclerosis pathway. aminocaproic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1279 0.045454545454545456 aciclovir Low-priority: Computational docking aminocaproic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check aminocaproic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. aminolevulinic_acid malignant_mesothelioma GAP_LOW 0.1279 0.02702702702702703 lapatinib Low-priority: Computational docking aminolevulinic_acid vs malignant_mesothelioma targets. Cross-check aminolevulinic_acid pharmacophore against malignant_mesothelioma pathway. pipotiazine thymus_cancer GAP_HIGH 0.1278 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.44) oxaprozin thymus_cancer GAP_HIGH 0.1278 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) lacosamide ankylosing_spondylitis GAP_HIGH 0.1278 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.33) cyclizine germ_cell_cancer GAP_HIGH 0.1278 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) podofilox systemic_scleroderma GAP_HIGH 0.1278 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in systemic_scleroderma cell model. Expected: similar to epirubicin (Jaccard=0.29) aprindine chronic_kidney_failure GAP_HIGH 0.1278 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in chronic_kidney_failure cell model. Expected: similar to dimetacrine (Jaccard=0.28) lacosamide hepatitis_b GAP_HIGH 0.1278 0.2777777777777778 nateglinide High-priority: Binding assay lacosamide→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.28) flunarizine psoriatic_arthritis GAP_HIGH 0.1278 0.2727272727272727 papaverine High-priority: Binding assay flunarizine→?; validate in psoriatic_arthritis cell model. Expected: similar to papaverine (Jaccard=0.27) lidocaine ovarian_cancer GAP_HIGH 0.1278 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in ovarian_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) lidocaine uterine_cancer GAP_HIGH 0.1278 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in uterine_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) pomalidomide psoriatic_arthritis GAP_HIGH 0.1278 0.25 pseudoephedrine High-priority: Binding assay pomalidomide→?; validate in psoriatic_arthritis cell model. Expected: similar to pseudoephedrine (Jaccard=0.25) zidovudine migraine GAP_HIGH 0.1278 0.25 trimetrexate High-priority: Binding assay zidovudine→?; validate in migraine cell model. Expected: similar to trimetrexate (Jaccard=0.25) fluspirilene pancreatic_cancer GAP_HIGH 0.1278 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in pancreatic_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene ulcerative_colitis GAP_HIGH 0.1278 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in ulcerative_colitis cell model. Expected: similar to loperamide (Jaccard=0.24) medroxyprogesterone_acetate primary_biliary_cirrhosis GAP_HIGH 0.1278 0.23529411764705882 progesterone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to progesterone (Jaccard=0.24) l-phenylalanine coronary_artery_disease GAP_HIGH 0.1278 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in coronary_artery_disease cell model. Expected: similar to phenacemide (Jaccard=0.23) naloxone peripheral_nervous_system_neoplasm GAP_HIGH 0.1278 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to docetaxel (Jaccard=0.22) disopyramide salivary_gland_cancer GAP_HIGH 0.1278 0.2 phenylbutazone High-priority: Binding assay disopyramide→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.20) probenecid acquired_immunodeficiency_syndrome GAP_HIGH 0.1278 0.16666666666666666 mitiglinide High-priority: Binding assay probenecid→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.17) agomelatine chronic_kidney_failure GAP_HIGH 0.1278 0.15789473684210525 salsalate High-priority: Binding assay agomelatine→?; validate in chronic_kidney_failure cell model. Expected: similar to salsalate (Jaccard=0.16) tropicamide germ_cell_cancer GAP_LOW 0.1278 0.125 drospirenone Low-priority: Computational docking tropicamide vs germ_cell_cancer targets. Cross-check tropicamide pharmacophore against germ_cell_cancer pathway. captopril osteoarthritis GAP_LOW 0.1278 0.11764705882352941 gliclazide Low-priority: Computational docking captopril vs osteoarthritis targets. Cross-check captopril pharmacophore against osteoarthritis pathway. travoprost mediastinal_cancer GAP_LOW 0.1278 0.1 prednicarbate Low-priority: Computational docking travoprost vs mediastinal_cancer targets. Cross-check travoprost pharmacophore against mediastinal_cancer pathway. aminocaproic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1278 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check aminocaproic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. carboprost_tromethamine attention_deficit_hyperactivity_disorder GAP_LOW 0.1278 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs attention_deficit_hyperactivity_disorder targets. Cross-check carboprost_tromethamine pharmacophore against attention_deficit_hyperactivity_disorder pathway. epoprostenol creutzfeldt-jakob_disease GAP_LOW 0.1278 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs creutzfeldt-jakob_disease targets. Cross-check epoprostenol pharmacophore against creutzfeldt-jakob_disease pathway. irbesartan hematologic_cancer GAP_LOW 0.1278 0.0625 masoprocol Low-priority: Computational docking irbesartan vs hematologic_cancer targets. Cross-check irbesartan pharmacophore against hematologic_cancer pathway. butabarbital idiopathic_pulmonary_fibrosis GAP_LOW 0.1278 0.047619047619047616 fluticasone_propionate Low-priority: Computational docking butabarbital vs idiopathic_pulmonary_fibrosis targets. Cross-check butabarbital pharmacophore against idiopathic_pulmonary_fibrosis pathway. methohexital idiopathic_pulmonary_fibrosis GAP_LOW 0.1278 0.04 phentermine Low-priority: Computational docking methohexital vs idiopathic_pulmonary_fibrosis targets. Cross-check methohexital pharmacophore against idiopathic_pulmonary_fibrosis pathway. zolmitriptan hepatitis_b GAP_LOW 0.1278 0.023809523809523808 adenosine_triphosphate Low-priority: Computational docking zolmitriptan vs hepatitis_b targets. Cross-check zolmitriptan pharmacophore against hepatitis_b pathway. acetylcysteine alopecia_areata GAP_LOW 0.1278 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs alopecia_areata targets. Cross-check acetylcysteine pharmacophore against alopecia_areata pathway. caffeine alopecia_areata GAP_LOW 0.1278 0.0 hydrocortisone Low-priority: Computational docking caffeine vs alopecia_areata targets. Cross-check caffeine pharmacophore against alopecia_areata pathway. penicillamine alopecia_areata GAP_LOW 0.1278 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs alopecia_areata targets. Cross-check penicillamine pharmacophore against alopecia_areata pathway. riboflavin alopecia_areata GAP_LOW 0.1278 0.0 hydrocortisone Low-priority: Computational docking riboflavin vs alopecia_areata targets. Cross-check riboflavin pharmacophore against alopecia_areata pathway. mazindol testicular_cancer GAP_HIGH 0.1277 0.425 loxapine High-priority: Binding assay mazindol→?; validate in testicular_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol vaginal_cancer GAP_HIGH 0.1277 0.425 loxapine High-priority: Binding assay mazindol→?; validate in vaginal_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol vulva_cancer GAP_HIGH 0.1277 0.425 loxapine High-priority: Binding assay mazindol→?; validate in vulva_cancer cell model. Expected: similar to loxapine (Jaccard=0.42) fludiazepam testicular_cancer GAP_HIGH 0.1277 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in testicular_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) fludiazepam vaginal_cancer GAP_HIGH 0.1277 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in vaginal_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) fludiazepam vulva_cancer GAP_HIGH 0.1277 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in vulva_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.35) l-dopa melanoma GAP_HIGH 0.1277 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in melanoma cell model. Expected: similar to carbidopa (Jaccard=0.35) isopropamide duodenum_cancer GAP_HIGH 0.1277 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) isopropamide gallbladder_cancer GAP_HIGH 0.1277 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) ketoprofen ulcerative_colitis GAP_HIGH 0.1277 0.3333333333333333 indomethacin High-priority: Binding assay ketoprofen→?; validate in ulcerative_colitis cell model. Expected: similar to indomethacin (Jaccard=0.33) megestrol_acetate pancreatitis GAP_HIGH 0.1277 0.3333333333333333 betamethasone High-priority: Binding assay megestrol_acetate→?; validate in pancreatitis cell model. Expected: similar to betamethasone (Jaccard=0.33) azatadine germ_cell_cancer GAP_HIGH 0.1277 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in germ_cell_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) ketorolac asthma GAP_HIGH 0.1277 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in asthma cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) ketorolac atopic_dermatitis GAP_HIGH 0.1277 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in atopic_dermatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) ketorolac breast_cancer GAP_HIGH 0.1277 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in breast_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) drostanolone meningioma GAP_HIGH 0.1277 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in meningioma cell model. Expected: similar to progesterone (Jaccard=0.26) acenocoumarol hematologic_cancer GAP_HIGH 0.1277 0.2413793103448276 flurbiprofen High-priority: Binding assay acenocoumarol→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.24) bepotastine rheumatoid_arthritis GAP_HIGH 0.1277 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in rheumatoid_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) droperidol psoriatic_arthritis GAP_HIGH 0.1277 0.23529411764705882 loperamide High-priority: Binding assay droperidol→?; validate in psoriatic_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene osteoporosis GAP_HIGH 0.1277 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in osteoporosis cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene uterine_cancer GAP_HIGH 0.1277 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in uterine_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) ketorolac hepatitis_b GAP_HIGH 0.1277 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.22) dasatinib duodenum_cancer GAP_HIGH 0.1277 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in duodenum_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) dasatinib gallbladder_cancer GAP_HIGH 0.1277 0.2 irinotecan High-priority: Binding assay dasatinib→?; validate in gallbladder_cancer cell model. Expected: similar to irinotecan (Jaccard=0.20) cinolazepam atherosclerosis GAP_HIGH 0.1277 0.18518518518518517 flurbiprofen High-priority: Binding assay cinolazepam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.19) pomalidomide larynx_cancer GAP_HIGH 0.1277 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) remifentanil ocular_cancer GAP_HIGH 0.1277 0.15384615384615385 lacosamide High-priority: Binding assay remifentanil→?; validate in ocular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) l-citrulline brain_cancer GAP_LOW 0.1277 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs brain_cancer targets. Cross-check l-citrulline pharmacophore against brain_cancer pathway. l-citrulline intracranial_aneurysm GAP_LOW 0.1277 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs intracranial_aneurysm targets. Cross-check l-citrulline pharmacophore against intracranial_aneurysm pathway. vapreotide celiac_disease GAP_LOW 0.1277 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs celiac_disease targets. Cross-check vapreotide pharmacophore against celiac_disease pathway. travoprost gout GAP_LOW 0.1277 0.1 prednicarbate Low-priority: Computational docking travoprost vs gout targets. Cross-check travoprost pharmacophore against gout pathway. travoprost thymus_cancer GAP_LOW 0.1277 0.1 prednicarbate Low-priority: Computational docking travoprost vs thymus_cancer targets. Cross-check travoprost pharmacophore against thymus_cancer pathway. conivaptan ocular_cancer GAP_LOW 0.1277 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs ocular_cancer targets. Cross-check conivaptan pharmacophore against ocular_cancer pathway. travoprost focal_segmental_glomerulosclerosis GAP_LOW 0.1277 0.08333333333333333 floctafenine Low-priority: Computational docking travoprost vs focal_segmental_glomerulosclerosis targets. Cross-check travoprost pharmacophore against focal_segmental_glomerulosclerosis pathway. zolmitriptan salivary_gland_cancer GAP_LOW 0.1277 0.07692307692307693 loperamide Low-priority: Computational docking zolmitriptan vs salivary_gland_cancer targets. Cross-check zolmitriptan pharmacophore against salivary_gland_cancer pathway. l-ornithine celiac_disease GAP_LOW 0.1277 0.07142857142857142 anisotropine_methylbromide Low-priority: Computational docking l-ornithine vs celiac_disease targets. Cross-check l-ornithine pharmacophore against celiac_disease pathway. olmesartan mediastinal_cancer GAP_LOW 0.1277 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs mediastinal_cancer targets. Cross-check olmesartan pharmacophore against mediastinal_cancer pathway. tetracycline systemic_lupus_erythematosus GAP_LOW 0.1277 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs systemic_lupus_erythematosus targets. Cross-check tetracycline pharmacophore against systemic_lupus_erythematosus pathway. carprofen brain_cancer GAP_LOW 0.1277 0.0625 estradiol_valeratedienogest Low-priority: Computational docking carprofen vs brain_cancer targets. Cross-check carprofen pharmacophore against brain_cancer pathway. spirapril malaria GAP_LOW 0.1277 0.023809523809523808 phensuximide Low-priority: Computational docking spirapril vs malaria targets. Cross-check spirapril pharmacophore against malaria pathway. bromfenac uterine_cancer GAP_HIGH 0.1276 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in uterine_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) cyclizine urinary_bladder_cancer GAP_HIGH 0.1276 0.3333333333333333 alverine High-priority: Binding assay cyclizine→?; validate in urinary_bladder_cancer cell model. Expected: similar to alverine (Jaccard=0.33) diethylstilbestrol meningioma GAP_HIGH 0.1276 0.3333333333333333 loperamide High-priority: Binding assay diethylstilbestrol→?; validate in meningioma cell model. Expected: similar to loperamide (Jaccard=0.33) oxcarbazepine prostate_cancer GAP_HIGH 0.1276 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in prostate_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) lisinopril multiple_sclerosis GAP_HIGH 0.1276 0.3 moexipril High-priority: Binding assay lisinopril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.30) dydrogesterone type_1_diabetes_mellitus GAP_HIGH 0.1276 0.2857142857142857 betamethasone High-priority: Binding assay dydrogesterone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.29) ketorolac allergic_rhinitis GAP_HIGH 0.1276 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in allergic_rhinitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) ketorolac stomach_cancer GAP_HIGH 0.1276 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in stomach_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) mequitazine alcohol_dependence GAP_HIGH 0.1276 0.25 temazepam High-priority: Binding assay mequitazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.25) phenindione sarcoma GAP_HIGH 0.1276 0.25 phenytoin High-priority: Binding assay phenindione→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.25) tranylcypromine azoospermia GAP_HIGH 0.1276 0.25 procaine High-priority: Binding assay tranylcypromine→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.25) fluspirilene sarcoma GAP_HIGH 0.1276 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in sarcoma cell model. Expected: similar to loperamide (Jaccard=0.24) dextroamphetamine hepatitis_b GAP_HIGH 0.1276 0.23076923076923078 mitiglinide High-priority: Binding assay dextroamphetamine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.23) sulfanilamide ovarian_cancer GAP_HIGH 0.1276 0.2222222222222222 methylphenidate High-priority: Binding assay sulfanilamide→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.22) l-phenylalanine type_1_diabetes_mellitus GAP_HIGH 0.1276 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.20) levomilnacipran germ_cell_cancer GAP_HIGH 0.1276 0.2 tamoxifen High-priority: Binding assay levomilnacipran→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) cinolazepam malaria GAP_HIGH 0.1276 0.1875 butabarbital High-priority: Binding assay cinolazepam→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.19) l-citrulline osteoporosis GAP_HIGH 0.1276 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in osteoporosis cell model. Expected: similar to l-serine (Jaccard=0.18) l-citrulline sarcoma GAP_HIGH 0.1276 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in sarcoma cell model. Expected: similar to l-serine (Jaccard=0.18) l-citrulline uterine_cancer GAP_HIGH 0.1276 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in uterine_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) ephedrine prostate_cancer GAP_HIGH 0.1276 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.17) anisindione malignant_mesothelioma GAP_LOW 0.1276 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs malignant_mesothelioma targets. Cross-check anisindione pharmacophore against malignant_mesothelioma pathway. telmisartan acquired_immunodeficiency_syndrome GAP_LOW 0.1276 0.125 alvimopan Low-priority: Computational docking telmisartan vs acquired_immunodeficiency_syndrome targets. Cross-check telmisartan pharmacophore against acquired_immunodeficiency_syndrome pathway. streptozocin coronary_artery_disease GAP_LOW 0.1276 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs coronary_artery_disease targets. Cross-check streptozocin pharmacophore against coronary_artery_disease pathway. l-carnitine celiac_disease GAP_LOW 0.1276 0.09090909090909091 cyclandelate Low-priority: Computational docking l-carnitine vs celiac_disease targets. Cross-check l-carnitine pharmacophore against celiac_disease pathway. glisoxepide epilepsy_syndrome GAP_LOW 0.1276 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs epilepsy_syndrome targets. Cross-check glisoxepide pharmacophore against epilepsy_syndrome pathway. nicardipine gout GAP_LOW 0.1276 0.07692307692307693 modafinil Low-priority: Computational docking nicardipine vs gout targets. Cross-check nicardipine pharmacophore against gout pathway. olmesartan thymus_cancer GAP_LOW 0.1276 0.07142857142857142 voacamine Low-priority: Computational docking olmesartan vs thymus_cancer targets. Cross-check olmesartan pharmacophore against thymus_cancer pathway. glisoxepide germ_cell_cancer GAP_LOW 0.1276 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs germ_cell_cancer targets. Cross-check glisoxepide pharmacophore against germ_cell_cancer pathway. l-ornithine esophageal_cancer GAP_LOW 0.1276 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs esophageal_cancer targets. Cross-check l-ornithine pharmacophore against esophageal_cancer pathway. benzthiazide hepatitis_b GAP_LOW 0.1276 0.058823529411764705 nateglinide Low-priority: Computational docking benzthiazide vs hepatitis_b targets. Cross-check benzthiazide pharmacophore against hepatitis_b pathway. tetracycline sclerosing_cholangitis GAP_LOW 0.1276 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs sclerosing_cholangitis targets. Cross-check tetracycline pharmacophore against sclerosing_cholangitis pathway. acetylcysteine prostate_cancer GAP_LOW 0.1276 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs prostate_cancer targets. Cross-check acetylcysteine pharmacophore against prostate_cancer pathway. cabazitaxel hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking cabazitaxel vs hypothyroidism targets. Cross-check cabazitaxel pharmacophore against hypothyroidism pathway. clozapine hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking clozapine vs hypothyroidism targets. Cross-check clozapine pharmacophore against hypothyroidism pathway. levonordefrin hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking levonordefrin vs hypothyroidism targets. Cross-check levonordefrin pharmacophore against hypothyroidism pathway. methotrexate hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking methotrexate vs hypothyroidism targets. Cross-check methotrexate pharmacophore against hypothyroidism pathway. methylprednisolone hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking methylprednisolone vs hypothyroidism targets. Cross-check methylprednisolone pharmacophore against hypothyroidism pathway. paclitaxel hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking paclitaxel vs hypothyroidism targets. Cross-check paclitaxel pharmacophore against hypothyroidism pathway. prochlorperazine hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking prochlorperazine vs hypothyroidism targets. Cross-check prochlorperazine pharmacophore against hypothyroidism pathway. temazepam hypothyroidism GAP_LOW 0.1276 0.0 methimazole Low-priority: Computational docking temazepam vs hypothyroidism targets. Cross-check temazepam pharmacophore against hypothyroidism pathway. flurbiprofen vascular_cancer GAP_HIGH 0.1275 0.4117647058823529 chlorpromazine High-priority: Binding assay flurbiprofen→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.41) bromfenac breast_cancer GAP_HIGH 0.1275 0.4090909090909091 naproxen High-priority: Binding assay bromfenac→?; validate in breast_cancer cell model. Expected: similar to naproxen (Jaccard=0.41) cyclopentolate thyroid_cancer GAP_HIGH 0.1275 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) temazepam celiac_disease GAP_HIGH 0.1275 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) bromodiphenhydramine thyroid_cancer GAP_HIGH 0.1275 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) ketorolac pancreatic_cancer GAP_HIGH 0.1275 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in pancreatic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) procaine celiac_disease GAP_HIGH 0.1275 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.29) tripelennamine sarcoma GAP_HIGH 0.1275 0.2727272727272727 tamoxifen High-priority: Binding assay tripelennamine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.27) imatinib nephrolithiasis GAP_HIGH 0.1275 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in nephrolithiasis cell model. Expected: similar to sorafenib (Jaccard=0.21) dienestrol uterine_fibroid GAP_HIGH 0.1275 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in uterine_fibroid cell model. Expected: similar to mestranol (Jaccard=0.20) disopyramide ocular_cancer GAP_HIGH 0.1275 0.2 phenylbutazone High-priority: Binding assay disopyramide→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.20) stanozolol amyotrophic_lateral_sclerosis GAP_HIGH 0.1275 0.2 fludrocortisone High-priority: Binding assay stanozolol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.20) codeine hypertension GAP_HIGH 0.1275 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in hypertension cell model. Expected: similar to benzatropine (Jaccard=0.18) flurandrenolide alcohol_dependence GAP_HIGH 0.1275 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) dasatinib chronic_kidney_failure GAP_HIGH 0.1275 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) entecavir esophageal_cancer GAP_HIGH 0.1275 0.15384615384615385 gemcitabine High-priority: Binding assay entecavir→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.15) arformoterol brain_cancer GAP_LOW 0.1275 0.14285714285714285 clodronate Low-priority: Computational docking arformoterol vs brain_cancer targets. Cross-check arformoterol pharmacophore against brain_cancer pathway. arformoterol intracranial_aneurysm GAP_LOW 0.1275 0.14285714285714285 etidronic_acid Low-priority: Computational docking arformoterol vs intracranial_aneurysm targets. Cross-check arformoterol pharmacophore against intracranial_aneurysm pathway. quinethazone malaria GAP_LOW 0.1275 0.14285714285714285 sulfamethizole Low-priority: Computational docking quinethazone vs malaria targets. Cross-check quinethazone pharmacophore against malaria pathway. streptozocin narcolepsy GAP_LOW 0.1275 0.1111111111111111 isoprenaline Low-priority: Computational docking streptozocin vs narcolepsy targets. Cross-check streptozocin pharmacophore against narcolepsy pathway. l-carnitine prostate_cancer GAP_LOW 0.1275 0.10714285714285714 bevantolol Low-priority: Computational docking l-carnitine vs prostate_cancer targets. Cross-check l-carnitine pharmacophore against prostate_cancer pathway. ibuprofen ovarian_cancer GAP_LOW 0.1275 0.1 lapatinib Low-priority: Computational docking ibuprofen vs ovarian_cancer targets. Cross-check ibuprofen pharmacophore against ovarian_cancer pathway. travoprost hematologic_cancer GAP_LOW 0.1275 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs hematologic_cancer targets. Cross-check travoprost pharmacophore against hematologic_cancer pathway. glipizide salivary_gland_cancer GAP_LOW 0.1275 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs salivary_gland_cancer targets. Cross-check glipizide pharmacophore against salivary_gland_cancer pathway. carboprost_tromethamine conduct_disorder GAP_LOW 0.1275 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs conduct_disorder targets. Cross-check carboprost_tromethamine pharmacophore against conduct_disorder pathway. carboprost_tromethamine panic_disorder GAP_LOW 0.1275 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs panic_disorder targets. Cross-check carboprost_tromethamine pharmacophore against panic_disorder pathway. carboprost_tromethamine schizophrenia GAP_LOW 0.1275 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs schizophrenia targets. Cross-check carboprost_tromethamine pharmacophore against schizophrenia pathway. benazepril celiac_disease GAP_LOW 0.1275 0.058823529411764705 sorafenib Low-priority: Computational docking benazepril vs celiac_disease targets. Cross-check benazepril pharmacophore against celiac_disease pathway. aminolevulinic_acid type_2_diabetes_mellitus GAP_LOW 0.1275 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs type_2_diabetes_mellitus targets. Cross-check aminolevulinic_acid pharmacophore against type_2_diabetes_mellitus pathway. acetylcysteine pancreatic_cancer GAP_LOW 0.1275 0.043478260869565216 tolbutamide Low-priority: Computational docking acetylcysteine vs pancreatic_cancer targets. Cross-check acetylcysteine pharmacophore against pancreatic_cancer pathway. agomelatine leprosy GAP_LOW 0.1275 0.037037037037037035 sulfapyridine Low-priority: Computational docking agomelatine vs leprosy targets. Cross-check agomelatine pharmacophore against leprosy pathway. orlistat duodenum_cancer GAP_LOW 0.1275 0.0 hydrocortisone Low-priority: Computational docking orlistat vs duodenum_cancer targets. Cross-check orlistat pharmacophore against duodenum_cancer pathway. orlistat gallbladder_cancer GAP_LOW 0.1275 0.0 hydrocortisone Low-priority: Computational docking orlistat vs gallbladder_cancer targets. Cross-check orlistat pharmacophore against gallbladder_cancer pathway. orlistat melanoma GAP_LOW 0.1275 0.0 hydrocortisone Low-priority: Computational docking orlistat vs melanoma targets. Cross-check orlistat pharmacophore against melanoma pathway. thiothixene narcolepsy GAP_HIGH 0.1274 0.45454545454545453 pipotiazine High-priority: Binding assay thiothixene→?; validate in narcolepsy cell model. Expected: similar to pipotiazine (Jaccard=0.45) pheniramine type_1_diabetes_mellitus GAP_HIGH 0.1274 0.3684210526315789 benzatropine High-priority: Binding assay pheniramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.37) chlordiazepoxide azoospermia GAP_HIGH 0.1274 0.3448275862068966 chlorpromazine High-priority: Binding assay chlordiazepoxide→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.34) brompheniramine urinary_bladder_cancer GAP_HIGH 0.1274 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) lacosamide pancreatitis GAP_HIGH 0.1274 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in pancreatitis cell model. Expected: similar to phenacemide (Jaccard=0.33) oxcarbazepine mediastinal_cancer GAP_HIGH 0.1274 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in mediastinal_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) benzatropine pharynx_cancer GAP_HIGH 0.1274 0.30434782608695654 diphenylpyraline High-priority: Binding assay benzatropine→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.30) raloxifene metabolic_syndrome_x GAP_HIGH 0.1274 0.3 azatadine High-priority: Binding assay raloxifene→?; validate in metabolic_syndrome_x cell model. Expected: similar to azatadine (Jaccard=0.30) alverine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1274 0.2962962962962963 diphenhydramine High-priority: Binding assay alverine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.30) ketorolac ovarian_cancer GAP_HIGH 0.1274 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in ovarian_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) podofilox type_2_diabetes_mellitus GAP_HIGH 0.1274 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to epirubicin (Jaccard=0.29) estazolam lung_cancer GAP_HIGH 0.1274 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in lung_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) estazolam rectum_cancer GAP_HIGH 0.1274 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in rectum_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) bepotastine psoriatic_arthritis GAP_HIGH 0.1274 0.23529411764705882 loperamide High-priority: Binding assay bepotastine→?; validate in psoriatic_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) flurazepam rectum_cancer GAP_HIGH 0.1274 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.22) naloxone colon_cancer GAP_HIGH 0.1274 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in colon_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) sotalol focal_segmental_glomerulosclerosis GAP_HIGH 0.1274 0.21052631578947367 fenoprofen High-priority: Binding assay sotalol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.21) dienestrol coronary_artery_disease GAP_HIGH 0.1274 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in coronary_artery_disease cell model. Expected: similar to estrone (Jaccard=0.18) levomilnacipran focal_segmental_glomerulosclerosis GAP_HIGH 0.1274 0.18181818181818182 promethazine High-priority: Binding assay levomilnacipran→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.18) quinethazone narcolepsy GAP_HIGH 0.1274 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in narcolepsy cell model. Expected: similar to ritodrine (Jaccard=0.18) codeine ulcerative_colitis GAP_HIGH 0.1274 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in ulcerative_colitis cell model. Expected: similar to benzatropine (Jaccard=0.18) ephedrine duodenum_cancer GAP_HIGH 0.1274 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) ephedrine gallbladder_cancer GAP_HIGH 0.1274 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) tamsulosin kidney_cancer GAP_HIGH 0.1274 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) ephedrine mediastinal_cancer GAP_HIGH 0.1274 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.17) choline epilepsy_syndrome GAP_LOW 0.1274 0.14285714285714285 triamterene Low-priority: Computational docking choline vs epilepsy_syndrome targets. Cross-check choline pharmacophore against epilepsy_syndrome pathway. colchicine creutzfeldt-jakob_disease GAP_LOW 0.1274 0.14285714285714285 cyproheptadine Low-priority: Computational docking colchicine vs creutzfeldt-jakob_disease targets. Cross-check colchicine pharmacophore against creutzfeldt-jakob_disease pathway. tolbutamide prostate_cancer GAP_LOW 0.1274 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs prostate_cancer targets. Cross-check tolbutamide pharmacophore against prostate_cancer pathway. etonogestrel alcohol_dependence GAP_LOW 0.1274 0.1111111111111111 naloxone Low-priority: Computational docking etonogestrel vs alcohol_dependence targets. Cross-check etonogestrel pharmacophore against alcohol_dependence pathway. glipizide vascular_cancer GAP_LOW 0.1274 0.1 aciclovir Low-priority: Computational docking glipizide vs vascular_cancer targets. Cross-check glipizide pharmacophore against vascular_cancer pathway. conivaptan peripheral_nervous_system_neoplasm GAP_LOW 0.1274 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs peripheral_nervous_system_neoplasm targets. Cross-check conivaptan pharmacophore against peripheral_nervous_system_neoplasm pathway. conivaptan urinary_bladder_cancer GAP_LOW 0.1274 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs urinary_bladder_cancer targets. Cross-check conivaptan pharmacophore against urinary_bladder_cancer pathway. zolmitriptan ocular_cancer GAP_LOW 0.1274 0.07692307692307693 metaraminol Low-priority: Computational docking zolmitriptan vs ocular_cancer targets. Cross-check zolmitriptan pharmacophore against ocular_cancer pathway. glipizide penile_cancer GAP_LOW 0.1274 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs penile_cancer targets. Cross-check glipizide pharmacophore against penile_cancer pathway. tetracycline osteoarthritis GAP_LOW 0.1274 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs osteoarthritis targets. Cross-check tetracycline pharmacophore against osteoarthritis pathway. l-carnitine atherosclerosis GAP_LOW 0.1274 0.05555555555555555 phentermine Low-priority: Computational docking l-carnitine vs atherosclerosis targets. Cross-check l-carnitine pharmacophore against atherosclerosis pathway. aminolevulinic_acid vitiligo GAP_LOW 0.1274 0.05405405405405406 milnacipran Low-priority: Computational docking aminolevulinic_acid vs vitiligo targets. Cross-check aminolevulinic_acid pharmacophore against vitiligo pathway. spirapril chronic_kidney_failure GAP_LOW 0.1274 0.05263157894736842 trimipramine Low-priority: Computational docking spirapril vs chronic_kidney_failure targets. Cross-check spirapril pharmacophore against chronic_kidney_failure pathway. glutethimide head_and_neck_cancer GAP_LOW 0.1274 0.047619047619047616 pantoprazole Low-priority: Computational docking glutethimide vs head_and_neck_cancer targets. Cross-check glutethimide pharmacophore against head_and_neck_cancer pathway. acetylcysteine psoriasis GAP_LOW 0.1274 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs psoriasis targets. Cross-check acetylcysteine pharmacophore against psoriasis pathway. acetylcysteine ulcerative_colitis GAP_LOW 0.1274 0.043478260869565216 anisotropine_methylbromide Low-priority: Computational docking acetylcysteine vs ulcerative_colitis targets. Cross-check acetylcysteine pharmacophore against ulcerative_colitis pathway. loratadine leprosy GAP_LOW 0.1274 0.0 sulfapyridine Low-priority: Computational docking loratadine vs leprosy targets. Cross-check loratadine pharmacophore against leprosy pathway. diphenylpyraline duodenum_cancer GAP_HIGH 0.1273 0.45454545454545453 diphenhydramine High-priority: Binding assay diphenylpyraline→?; validate in duodenum_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.45) diphenylpyraline gallbladder_cancer GAP_HIGH 0.1273 0.45454545454545453 diphenhydramine High-priority: Binding assay diphenylpyraline→?; validate in gallbladder_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.45) mazindol uterine_fibroid GAP_HIGH 0.1273 0.425 loxapine High-priority: Binding assay mazindol→?; validate in uterine_fibroid cell model. Expected: similar to loxapine (Jaccard=0.42) mazindol muscle_cancer GAP_HIGH 0.1273 0.41025641025641024 azelastine High-priority: Binding assay mazindol→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.41) propericiazine sarcoma GAP_HIGH 0.1273 0.3888888888888889 ethopropazine High-priority: Binding assay propericiazine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.39) l-dopa sclerosing_cholangitis GAP_HIGH 0.1273 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in sclerosing_cholangitis cell model. Expected: similar to carbidopa (Jaccard=0.35) norethindrone nephrolithiasis GAP_HIGH 0.1273 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in nephrolithiasis cell model. Expected: similar to dydrogesterone (Jaccard=0.33) oxcarbazepine thymus_cancer GAP_HIGH 0.1273 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in thymus_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) loteprednol type_2_diabetes_mellitus GAP_HIGH 0.1273 0.2857142857142857 allylestrenol High-priority: Binding assay loteprednol→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to allylestrenol (Jaccard=0.29) levorphanol head_and_neck_cancer GAP_HIGH 0.1273 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in head_and_neck_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) levorphanol malignant_glioma GAP_HIGH 0.1273 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in malignant_glioma cell model. Expected: similar to exemestane (Jaccard=0.28) melphalan prostate_cancer GAP_HIGH 0.1273 0.2571428571428571 fenoprofen High-priority: Binding assay melphalan→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.26) imipramine pharynx_cancer GAP_HIGH 0.1273 0.25 aspartame High-priority: Binding assay imipramine→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) fluspirilene metabolic_syndrome_x GAP_HIGH 0.1273 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in metabolic_syndrome_x cell model. Expected: similar to loperamide (Jaccard=0.24) imatinib celiac_disease GAP_HIGH 0.1273 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.21) l-tryptophan type_1_diabetes_mellitus GAP_HIGH 0.1273 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) nandrolone_phenpropionate creutzfeldt-jakob_disease GAP_HIGH 0.1273 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.20) selegiline esophageal_cancer GAP_HIGH 0.1273 0.2 topotecan High-priority: Binding assay selegiline→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) pirbuterol primary_biliary_cirrhosis GAP_HIGH 0.1273 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methyldopa (Jaccard=0.19) dienestrol narcolepsy GAP_HIGH 0.1273 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in narcolepsy cell model. Expected: similar to mesalazine (Jaccard=0.18) clotiazepam skin_cancer GAP_HIGH 0.1273 0.17857142857142858 flurbiprofen High-priority: Binding assay clotiazepam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.18) ephedrine thymus_cancer GAP_HIGH 0.1273 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.17) agomelatine head_and_neck_cancer GAP_HIGH 0.1273 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) agomelatine malignant_glioma GAP_HIGH 0.1273 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.15) l-aspartic_acid azoospermia GAP_LOW 0.1273 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs azoospermia targets. Cross-check l-aspartic_acid pharmacophore against azoospermia pathway. glisoxepide salivary_gland_cancer GAP_LOW 0.1273 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs salivary_gland_cancer targets. Cross-check glisoxepide pharmacophore against salivary_gland_cancer pathway. carboprost_tromethamine bipolar_disorder GAP_LOW 0.1273 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs bipolar_disorder targets. Cross-check carboprost_tromethamine pharmacophore against bipolar_disorder pathway. nilvadipine gout GAP_LOW 0.1273 0.07692307692307693 modafinil Low-priority: Computational docking nilvadipine vs gout targets. Cross-check nilvadipine pharmacophore against gout pathway. calcium_acetate salivary_gland_cancer GAP_LOW 0.1273 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs salivary_gland_cancer targets. Cross-check calcium_acetate pharmacophore against salivary_gland_cancer pathway. melatonin dilated_cardiomyopathy GAP_LOW 0.1273 0.06666666666666667 drospirenone Low-priority: Computational docking melatonin vs dilated_cardiomyopathy targets. Cross-check melatonin pharmacophore against dilated_cardiomyopathy pathway. estriol membranous_glomerulonephritis GAP_LOW 0.1273 0.0625 toremifene Low-priority: Computational docking estriol vs membranous_glomerulonephritis targets. Cross-check estriol pharmacophore against membranous_glomerulonephritis pathway. nimodipine hepatitis_b GAP_LOW 0.1273 0.0625 nateglinide Low-priority: Computational docking nimodipine vs hepatitis_b targets. Cross-check nimodipine pharmacophore against hepatitis_b pathway. quinapril malaria GAP_LOW 0.1273 0.023255813953488372 phensuximide Low-priority: Computational docking quinapril vs malaria targets. Cross-check quinapril pharmacophore against malaria pathway. anisindione pagets_disease_of_bone GAP_LOW 0.1273 0.0 ibandronate Low-priority: Computational docking anisindione vs pagets_disease_of_bone targets. Cross-check anisindione pharmacophore against pagets_disease_of_bone pathway. dimetindene pagets_disease_of_bone GAP_LOW 0.1273 0.0 ibandronate Low-priority: Computational docking dimetindene vs pagets_disease_of_bone targets. Cross-check dimetindene pharmacophore against pagets_disease_of_bone pathway. methyclothiazide pagets_disease_of_bone GAP_LOW 0.1273 0.0 ibandronate Low-priority: Computational docking methyclothiazide vs pagets_disease_of_bone targets. Cross-check methyclothiazide pharmacophore against pagets_disease_of_bone pathway. orphenadrine pagets_disease_of_bone GAP_LOW 0.1273 0.0 ibandronate Low-priority: Computational docking orphenadrine vs pagets_disease_of_bone targets. Cross-check orphenadrine pharmacophore against pagets_disease_of_bone pathway. fludiazepam uterine_fibroid GAP_HIGH 0.1272 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in uterine_fibroid cell model. Expected: similar to pirenzepine (Jaccard=0.35) chlordiazepoxide membranous_glomerulonephritis GAP_HIGH 0.1272 0.3448275862068966 chlorpromazine High-priority: Binding assay chlordiazepoxide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorpromazine (Jaccard=0.34) naproxen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1272 0.3181818181818182 sotalol High-priority: Binding assay naproxen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.32) oxcarbazepine coronary_artery_disease GAP_HIGH 0.1272 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in coronary_artery_disease cell model. Expected: similar to phenylbutazone (Jaccard=0.31) cyclizine focal_segmental_glomerulosclerosis GAP_HIGH 0.1272 0.2857142857142857 promethazine High-priority: Binding assay cyclizine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.29) lidocaine vulva_cancer GAP_HIGH 0.1272 0.2727272727272727 lapatinib High-priority: Binding assay lidocaine→?; validate in vulva_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) estazolam liver_cancer GAP_HIGH 0.1272 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in liver_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) fluspirilene skin_cancer GAP_HIGH 0.1272 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in skin_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) etonogestrel pancreatitis GAP_HIGH 0.1272 0.2222222222222222 dexamethasone High-priority: Binding assay etonogestrel→?; validate in pancreatitis cell model. Expected: similar to dexamethasone (Jaccard=0.22) naloxone ulcerative_colitis GAP_HIGH 0.1272 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in ulcerative_colitis cell model. Expected: similar to docetaxel (Jaccard=0.22) dienestrol polycystic_ovary_syndrome GAP_HIGH 0.1272 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to mestranol (Jaccard=0.20) pirbuterol gout GAP_HIGH 0.1272 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in gout cell model. Expected: similar to methyldopa (Jaccard=0.19) l-citrulline skin_cancer GAP_HIGH 0.1272 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in skin_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) codeine sarcoma GAP_HIGH 0.1272 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in sarcoma cell model. Expected: similar to benzatropine (Jaccard=0.18) nandrolone_phenpropionate focal_segmental_glomerulosclerosis GAP_HIGH 0.1272 0.16666666666666666 bumetanide High-priority: Binding assay nandrolone_phenpropionate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.17) ponatinib hepatitis_b GAP_LOW 0.1272 0.14285714285714285 nateglinide Low-priority: Computational docking ponatinib vs hepatitis_b targets. Cross-check ponatinib pharmacophore against hepatitis_b pathway. prazepam muscle_cancer GAP_LOW 0.1272 0.14285714285714285 phensuximide Low-priority: Computational docking prazepam vs muscle_cancer targets. Cross-check prazepam pharmacophore against muscle_cancer pathway. droperidol alcohol_dependence GAP_LOW 0.1272 0.10810810810810811 mazindol Low-priority: Computational docking droperidol vs alcohol_dependence targets. Cross-check droperidol pharmacophore against alcohol_dependence pathway. ceruletide alopecia_areata GAP_LOW 0.1272 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs alopecia_areata targets. Cross-check ceruletide pharmacophore against alopecia_areata pathway. cinolazepam leprosy GAP_LOW 0.1272 0.0975609756097561 phensuximide Low-priority: Computational docking cinolazepam vs leprosy targets. Cross-check cinolazepam pharmacophore against leprosy pathway. quinestrol chronic_kidney_failure GAP_LOW 0.1272 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs chronic_kidney_failure targets. Cross-check quinestrol pharmacophore against chronic_kidney_failure pathway. glipizide ocular_cancer GAP_LOW 0.1272 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs ocular_cancer targets. Cross-check glipizide pharmacophore against ocular_cancer pathway. nisoldipine glaucoma GAP_LOW 0.1272 0.08333333333333333 bevantolol Low-priority: Computational docking nisoldipine vs glaucoma targets. Cross-check nisoldipine pharmacophore against glaucoma pathway. carboprost_tromethamine endogenous_depression GAP_LOW 0.1272 0.07692307692307693 salicylic_acid Low-priority: Computational docking carboprost_tromethamine vs endogenous_depression targets. Cross-check carboprost_tromethamine pharmacophore against endogenous_depression pathway. epoprostenol epilepsy_syndrome GAP_LOW 0.1272 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs epilepsy_syndrome targets. Cross-check epoprostenol pharmacophore against epilepsy_syndrome pathway. tofisopam esophageal_cancer GAP_LOW 0.1272 0.07142857142857142 raloxifene Low-priority: Computational docking tofisopam vs esophageal_cancer targets. Cross-check tofisopam pharmacophore against esophageal_cancer pathway. glutethimide nephrolithiasis GAP_LOW 0.1272 0.047619047619047616 pantoprazole Low-priority: Computational docking glutethimide vs nephrolithiasis targets. Cross-check glutethimide pharmacophore against nephrolithiasis pathway. spirapril glaucoma GAP_LOW 0.1272 0.045454545454545456 pseudoephedrine Low-priority: Computational docking spirapril vs glaucoma targets. Cross-check spirapril pharmacophore against glaucoma pathway. caffeine coronary_artery_disease GAP_LOW 0.1272 0.034482758620689655 phenacemide Low-priority: Computational docking caffeine vs coronary_artery_disease targets. Cross-check caffeine pharmacophore against coronary_artery_disease pathway. orlistat sclerosing_cholangitis GAP_LOW 0.1272 0.0 hydrocortisone Low-priority: Computational docking orlistat vs sclerosing_cholangitis targets. Cross-check orlistat pharmacophore against sclerosing_cholangitis pathway. estrone prostate_cancer GAP_HIGH 0.1271 0.4 mestranol High-priority: Binding assay estrone→?; validate in prostate_cancer cell model. Expected: similar to mestranol (Jaccard=0.40) mequitazine prostate_cancer GAP_HIGH 0.1271 0.36363636363636365 pipotiazine High-priority: Binding assay mequitazine→?; validate in prostate_cancer cell model. Expected: similar to pipotiazine (Jaccard=0.36) etoricoxib refractive_error GAP_HIGH 0.1271 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.33) norethindrone celiac_disease GAP_HIGH 0.1271 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in celiac_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.33) sunitinib metabolic_syndrome_x GAP_HIGH 0.1271 0.3333333333333333 captopril High-priority: Binding assay sunitinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to captopril (Jaccard=0.33) oxcarbazepine narcolepsy GAP_HIGH 0.1271 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in narcolepsy cell model. Expected: similar to phenylbutazone (Jaccard=0.31) gemcitabine breast_cancer GAP_HIGH 0.1271 0.2857142857142857 lamivudine High-priority: Binding assay gemcitabine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.29) podofilox rheumatoid_arthritis GAP_HIGH 0.1271 0.2857142857142857 epirubicin High-priority: Binding assay podofilox→?; validate in rheumatoid_arthritis cell model. Expected: similar to epirubicin (Jaccard=0.29) levorphanol nephrolithiasis GAP_HIGH 0.1271 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in nephrolithiasis cell model. Expected: similar to exemestane (Jaccard=0.28) anileridine uterine_cancer GAP_HIGH 0.1271 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in uterine_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) tripelennamine prostate_cancer GAP_HIGH 0.1271 0.25 carbinoxamine High-priority: Binding assay tripelennamine→?; validate in prostate_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.25) fluspirilene testicular_cancer GAP_HIGH 0.1271 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in testicular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene vaginal_cancer GAP_HIGH 0.1271 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in vaginal_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene vulva_cancer GAP_HIGH 0.1271 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in vulva_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) flunarizine azoospermia GAP_HIGH 0.1271 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in azoospermia cell model. Expected: similar to clotrimazole (Jaccard=0.23) dimetindene malignant_mesothelioma GAP_HIGH 0.1271 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.22) naloxone uterine_cancer GAP_HIGH 0.1271 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in uterine_cancer cell model. Expected: similar to docetaxel (Jaccard=0.22) cinchocaine ulcerative_colitis GAP_HIGH 0.1271 0.21739130434782608 sulfanilamide High-priority: Binding assay cinchocaine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.22) ethylmorphine prostate_cancer GAP_HIGH 0.1271 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) acenocoumarol gilles_de_la_tourette_syndrome GAP_HIGH 0.1271 0.20833333333333334 loxapine High-priority: Binding assay acenocoumarol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.21) ponatinib narcolepsy GAP_HIGH 0.1271 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in narcolepsy cell model. Expected: similar to meclizine (Jaccard=0.20) ephedrine muscle_cancer GAP_HIGH 0.1271 0.18181818181818182 l-phenylalanine High-priority: Binding assay ephedrine→?; validate in muscle_cancer cell model. Expected: similar to l-phenylalanine (Jaccard=0.18) l-citrulline vaginal_cancer GAP_HIGH 0.1271 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in vaginal_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) l-citrulline vulva_cancer GAP_HIGH 0.1271 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in vulva_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) tamsulosin celiac_disease GAP_HIGH 0.1271 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.17) agomelatine refractive_error GAP_HIGH 0.1271 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in refractive_error cell model. Expected: similar to procarbazine (Jaccard=0.15) diclofenac alcohol_dependence GAP_HIGH 0.1271 0.15384615384615385 midazolam High-priority: Binding assay diclofenac→?; validate in alcohol_dependence cell model. Expected: similar to midazolam (Jaccard=0.15) zolpidem membranous_glomerulonephritis GAP_LOW 0.1271 0.14285714285714285 ergocalciferol Low-priority: Computational docking zolpidem vs membranous_glomerulonephritis targets. Cross-check zolpidem pharmacophore against membranous_glomerulonephritis pathway. aminocaproic_acid creutzfeldt-jakob_disease GAP_LOW 0.1271 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs creutzfeldt-jakob_disease targets. Cross-check aminocaproic_acid pharmacophore against creutzfeldt-jakob_disease pathway. tolazamide malignant_mesothelioma GAP_LOW 0.1271 0.1111111111111111 melphalan Low-priority: Computational docking tolazamide vs malignant_mesothelioma targets. Cross-check tolazamide pharmacophore against malignant_mesothelioma pathway. pravastatin systemic_scleroderma GAP_LOW 0.1271 0.09090909090909091 caffeine Low-priority: Computational docking pravastatin vs systemic_scleroderma targets. Cross-check pravastatin pharmacophore against systemic_scleroderma pathway. glisoxepide ocular_cancer GAP_LOW 0.1271 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs ocular_cancer targets. Cross-check glisoxepide pharmacophore against ocular_cancer pathway. isradipine celiac_disease GAP_LOW 0.1271 0.08 diphenylpyraline Low-priority: Computational docking isradipine vs celiac_disease targets. Cross-check isradipine pharmacophore against celiac_disease pathway. arformoterol alcohol_dependence GAP_LOW 0.1271 0.07692307692307693 mazindol Low-priority: Computational docking arformoterol vs alcohol_dependence targets. Cross-check arformoterol pharmacophore against alcohol_dependence pathway. dapsone alcohol_dependence GAP_LOW 0.1271 0.07692307692307693 mazindol Low-priority: Computational docking dapsone vs alcohol_dependence targets. Cross-check dapsone pharmacophore against alcohol_dependence pathway. zolmitriptan peripheral_nervous_system_neoplasm GAP_LOW 0.1271 0.07692307692307693 atropine Low-priority: Computational docking zolmitriptan vs peripheral_nervous_system_neoplasm targets. Cross-check zolmitriptan pharmacophore against peripheral_nervous_system_neoplasm pathway. tafluprost brain_cancer GAP_LOW 0.1271 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking tafluprost vs brain_cancer targets. Cross-check tafluprost pharmacophore against brain_cancer pathway. tafluprost intracranial_aneurysm GAP_LOW 0.1271 0.07142857142857142 prednicarbate Low-priority: Computational docking tafluprost vs intracranial_aneurysm targets. Cross-check tafluprost pharmacophore against intracranial_aneurysm pathway. calcium_acetate muscle_cancer GAP_LOW 0.1271 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs muscle_cancer targets. Cross-check calcium_acetate pharmacophore against muscle_cancer pathway. tetracycline ankylosing_spondylitis GAP_LOW 0.1271 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs ankylosing_spondylitis targets. Cross-check tetracycline pharmacophore against ankylosing_spondylitis pathway. carboprost_tromethamine azoospermia GAP_LOW 0.1271 0.05555555555555555 tiaprofenic_acid Low-priority: Computational docking carboprost_tromethamine vs azoospermia targets. Cross-check carboprost_tromethamine pharmacophore against azoospermia pathway. orlistat creutzfeldt-jakob_disease GAP_LOW 0.1271 0.0 loxapine Low-priority: Computational docking orlistat vs creutzfeldt-jakob_disease targets. Cross-check orlistat pharmacophore against creutzfeldt-jakob_disease pathway. methadone primary_biliary_cirrhosis GAP_HIGH 0.127 0.5 toremifene High-priority: Binding assay methadone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.50) clomipramine hematologic_cancer GAP_HIGH 0.127 0.45454545454545453 flurbiprofen High-priority: Binding assay clomipramine→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.45) bromfenac testicular_cancer GAP_HIGH 0.127 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in testicular_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) bromfenac vaginal_cancer GAP_HIGH 0.127 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in vaginal_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) bromfenac vulva_cancer GAP_HIGH 0.127 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in vulva_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) cyclopentolate muscle_cancer GAP_HIGH 0.127 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) cyclizine malignant_mesothelioma GAP_HIGH 0.127 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.31) bromodiphenhydramine muscle_cancer GAP_HIGH 0.127 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) flunarizine sclerosing_cholangitis GAP_HIGH 0.127 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in sclerosing_cholangitis cell model. Expected: similar to cinnarizine (Jaccard=0.25) glucosamine kidney_cancer GAP_HIGH 0.127 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) olanzapine duodenum_cancer GAP_HIGH 0.127 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in duodenum_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine gallbladder_cancer GAP_HIGH 0.127 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in gallbladder_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) fluspirilene vascular_cancer GAP_HIGH 0.127 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in vascular_cancer cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine breast_cancer GAP_HIGH 0.127 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) cladribine colon_cancer GAP_HIGH 0.127 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) mepyramine mediastinal_cancer GAP_HIGH 0.127 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) naloxone sarcoma GAP_HIGH 0.127 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in sarcoma cell model. Expected: similar to docetaxel (Jaccard=0.22) cinchocaine psoriasis GAP_HIGH 0.127 0.21739130434782608 sulfanilamide High-priority: Binding assay cinchocaine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.22) dienestrol rheumatoid_arthritis GAP_HIGH 0.127 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in rheumatoid_arthritis cell model. Expected: similar to mestranol (Jaccard=0.20) medroxyprogesterone_acetate focal_segmental_glomerulosclerosis GAP_HIGH 0.127 0.2 bumetanide High-priority: Binding assay medroxyprogesterone_acetate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.20) naloxone idiopathic_pulmonary_fibrosis GAP_HIGH 0.127 0.2 epinephrine High-priority: Binding assay naloxone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.20) naloxone prostate_cancer GAP_HIGH 0.127 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in prostate_cancer cell model. Expected: similar to pazopanib (Jaccard=0.20) pirbuterol coronary_artery_disease GAP_HIGH 0.127 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in coronary_artery_disease cell model. Expected: similar to methyldopa (Jaccard=0.19) l-citrulline testicular_cancer GAP_HIGH 0.127 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in testicular_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) anisindione meningioma GAP_LOW 0.127 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs meningioma targets. Cross-check anisindione pharmacophore against meningioma pathway. clotiazepam kidney_cancer GAP_LOW 0.127 0.14285714285714285 quinacrine Low-priority: Computational docking clotiazepam vs kidney_cancer targets. Cross-check clotiazepam pharmacophore against kidney_cancer pathway. dapsone larynx_cancer GAP_LOW 0.127 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs larynx_cancer targets. Cross-check dapsone pharmacophore against larynx_cancer pathway. l-carnitine narcolepsy GAP_LOW 0.127 0.10714285714285714 bevantolol Low-priority: Computational docking l-carnitine vs narcolepsy targets. Cross-check l-carnitine pharmacophore against narcolepsy pathway. amodiaquine pharynx_cancer GAP_LOW 0.127 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs pharynx_cancer targets. Cross-check amodiaquine pharmacophore against pharynx_cancer pathway. carvedilol chronic_obstructive_pulmonary_disease GAP_LOW 0.127 0.1 epinephrine Low-priority: Computational docking carvedilol vs chronic_obstructive_pulmonary_disease targets. Cross-check carvedilol pharmacophore against chronic_obstructive_pulmonary_disease pathway. candesartan creutzfeldt-jakob_disease GAP_LOW 0.127 0.07692307692307693 phenylephrine Low-priority: Computational docking candesartan vs creutzfeldt-jakob_disease targets. Cross-check candesartan pharmacophore against creutzfeldt-jakob_disease pathway. isradipine type_1_diabetes_mellitus GAP_LOW 0.127 0.07142857142857142 exemestane Low-priority: Computational docking isradipine vs type_1_diabetes_mellitus targets. Cross-check isradipine pharmacophore against type_1_diabetes_mellitus pathway. calcium_acetate ocular_cancer GAP_LOW 0.127 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs ocular_cancer targets. Cross-check calcium_acetate pharmacophore against ocular_cancer pathway. glisoxepide penile_cancer GAP_LOW 0.127 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs penile_cancer targets. Cross-check glisoxepide pharmacophore against penile_cancer pathway. sorafenib pagets_disease_of_bone GAP_LOW 0.127 0.0625 histamine_phosphate Low-priority: Computational docking sorafenib vs pagets_disease_of_bone targets. Cross-check sorafenib pharmacophore against pagets_disease_of_bone pathway. loperamide hypothyroidism GAP_LOW 0.127 0.058823529411764705 methimazole Low-priority: Computational docking loperamide vs hypothyroidism targets. Cross-check loperamide pharmacophore against hypothyroidism pathway. nisoldipine atherosclerosis GAP_LOW 0.127 0.05 phenelzine Low-priority: Computational docking nisoldipine vs atherosclerosis targets. Cross-check nisoldipine pharmacophore against atherosclerosis pathway. talbutal chronic_kidney_failure GAP_LOW 0.127 0.02564102564102564 mazindol Low-priority: Computational docking talbutal vs chronic_kidney_failure targets. Cross-check talbutal pharmacophore against chronic_kidney_failure pathway. cilazapril malaria GAP_LOW 0.127 0.023809523809523808 phensuximide Low-priority: Computational docking cilazapril vs malaria targets. Cross-check cilazapril pharmacophore against malaria pathway. amiloride acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking amiloride vs acquired_immunodeficiency_syndrome targets. Cross-check amiloride pharmacophore against acquired_immunodeficiency_syndrome pathway. buclizine hypothyroidism GAP_LOW 0.127 0.0 methimazole Low-priority: Computational docking buclizine vs hypothyroidism targets. Cross-check buclizine pharmacophore against hypothyroidism pathway. estriol acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking estriol vs acquired_immunodeficiency_syndrome targets. Cross-check estriol pharmacophore against acquired_immunodeficiency_syndrome pathway. estropipate acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking estropipate vs acquired_immunodeficiency_syndrome targets. Cross-check estropipate pharmacophore against acquired_immunodeficiency_syndrome pathway. fosphenytoin hypothyroidism GAP_LOW 0.127 0.0 methimazole Low-priority: Computational docking fosphenytoin vs hypothyroidism targets. Cross-check fosphenytoin pharmacophore against hypothyroidism pathway. mannitol acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking mannitol vs acquired_immunodeficiency_syndrome targets. Cross-check mannitol pharmacophore against acquired_immunodeficiency_syndrome pathway. nicardipine acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking nicardipine vs acquired_immunodeficiency_syndrome targets. Cross-check nicardipine pharmacophore against acquired_immunodeficiency_syndrome pathway. nilvadipine acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking nilvadipine vs acquired_immunodeficiency_syndrome targets. Cross-check nilvadipine pharmacophore against acquired_immunodeficiency_syndrome pathway. phenelzine hypothyroidism GAP_LOW 0.127 0.0 methimazole Low-priority: Computational docking phenelzine vs hypothyroidism targets. Cross-check phenelzine pharmacophore against hypothyroidism pathway. phenindamine hypothyroidism GAP_LOW 0.127 0.0 methimazole Low-priority: Computational docking phenindamine vs hypothyroidism targets. Cross-check phenindamine pharmacophore against hypothyroidism pathway. phentermine hypothyroidism GAP_LOW 0.127 0.0 methimazole Low-priority: Computational docking phentermine vs hypothyroidism targets. Cross-check phentermine pharmacophore against hypothyroidism pathway. pravastatin acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking pravastatin vs acquired_immunodeficiency_syndrome targets. Cross-check pravastatin pharmacophore against acquired_immunodeficiency_syndrome pathway. tauroursodeoxycholic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking tauroursodeoxycholic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check tauroursodeoxycholic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. vitamin_c acquired_immunodeficiency_syndrome GAP_LOW 0.127 0.0 mitiglinide Low-priority: Computational docking vitamin_c vs acquired_immunodeficiency_syndrome targets. Cross-check vitamin_c pharmacophore against acquired_immunodeficiency_syndrome pathway. bromfenac vascular_cancer GAP_HIGH 0.1269 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in vascular_cancer cell model. Expected: similar to clonidine (Jaccard=0.41) methotrimeprazine thyroid_cancer GAP_HIGH 0.1269 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) carbidopa creutzfeldt-jakob_disease GAP_HIGH 0.1269 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.35) fludiazepam polycystic_ovary_syndrome GAP_HIGH 0.1269 0.35 pirenzepine High-priority: Binding assay fludiazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to pirenzepine (Jaccard=0.35) pheniramine malaria GAP_HIGH 0.1269 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.33) azatadine malignant_mesothelioma GAP_HIGH 0.1269 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in malignant_mesothelioma cell model. Expected: similar to raloxifene (Jaccard=0.30) levorphanol celiac_disease GAP_HIGH 0.1269 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in celiac_disease cell model. Expected: similar to exemestane (Jaccard=0.28) glucosamine nephrolithiasis GAP_HIGH 0.1269 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.25) podofilox membranous_glomerulonephritis GAP_HIGH 0.1269 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in membranous_glomerulonephritis cell model. Expected: similar to amsacrine (Jaccard=0.25) ketorolac type_1_diabetes_mellitus GAP_HIGH 0.1269 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.24) mepyramine thymus_cancer GAP_HIGH 0.1269 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) ethylmorphine mediastinal_cancer GAP_HIGH 0.1269 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) oxybuprocaine malaria GAP_HIGH 0.1269 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in malaria cell model. Expected: similar to phenmetrazine (Jaccard=0.21) l-citrulline vascular_cancer GAP_HIGH 0.1269 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in vascular_cancer cell model. Expected: similar to l-serine (Jaccard=0.18) phenindamine alcohol_dependence GAP_HIGH 0.1269 0.16666666666666666 temazepam High-priority: Binding assay phenindamine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.17) arformoterol hepatitis_b GAP_LOW 0.1269 0.125 nateglinide Low-priority: Computational docking arformoterol vs hepatitis_b targets. Cross-check arformoterol pharmacophore against hepatitis_b pathway. captopril ankylosing_spondylitis GAP_LOW 0.1269 0.1 sorafenib Low-priority: Computational docking captopril vs ankylosing_spondylitis targets. Cross-check captopril pharmacophore against ankylosing_spondylitis pathway. dinoprostone alzheimers_disease GAP_LOW 0.1269 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs alzheimers_disease targets. Cross-check dinoprostone pharmacophore against alzheimers_disease pathway. glipizide urinary_bladder_cancer GAP_LOW 0.1269 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs urinary_bladder_cancer targets. Cross-check glipizide pharmacophore against urinary_bladder_cancer pathway. nabumetone atherosclerosis GAP_LOW 0.1269 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs atherosclerosis targets. Cross-check nabumetone pharmacophore against atherosclerosis pathway. glisoxepide autistic_disorder GAP_LOW 0.1269 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs autistic_disorder targets. Cross-check glisoxepide pharmacophore against autistic_disorder pathway. glisoxepide nicotine_dependence GAP_LOW 0.1269 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs nicotine_dependence targets. Cross-check glisoxepide pharmacophore against nicotine_dependence pathway. tolbutamide acquired_immunodeficiency_syndrome GAP_LOW 0.1269 0.07692307692307693 lisinopril Low-priority: Computational docking tolbutamide vs acquired_immunodeficiency_syndrome targets. Cross-check tolbutamide pharmacophore against acquired_immunodeficiency_syndrome pathway. cilazapril azoospermia GAP_LOW 0.1269 0.0625 propafenone Low-priority: Computational docking cilazapril vs azoospermia targets. Cross-check cilazapril pharmacophore against azoospermia pathway. tetracycline epilepsy_syndrome GAP_LOW 0.1269 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs epilepsy_syndrome targets. Cross-check tetracycline pharmacophore against epilepsy_syndrome pathway. tetracycline creutzfeldt-jakob_disease GAP_LOW 0.1269 0.05555555555555555 salicylic_acid Low-priority: Computational docking tetracycline vs creutzfeldt-jakob_disease targets. Cross-check tetracycline pharmacophore against creutzfeldt-jakob_disease pathway. methohexital penile_cancer GAP_LOW 0.1269 0.03125 phenylbutazone Low-priority: Computational docking methohexital vs penile_cancer targets. Cross-check methohexital pharmacophore against penile_cancer pathway. acetylcysteine esophageal_cancer GAP_LOW 0.1269 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs esophageal_cancer targets. Cross-check acetylcysteine pharmacophore against esophageal_cancer pathway. penicillamine esophageal_cancer GAP_LOW 0.1269 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs esophageal_cancer targets. Cross-check penicillamine pharmacophore against esophageal_cancer pathway. pipotiazine melanoma GAP_HIGH 0.1268 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.44) promazine germ_cell_cancer GAP_HIGH 0.1268 0.43478260869565216 toremifene High-priority: Binding assay promazine→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.43) oxaprozin melanoma GAP_HIGH 0.1268 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.38) carbinoxamine ankylosing_spondylitis GAP_HIGH 0.1268 0.375 brompheniramine High-priority: Binding assay carbinoxamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to brompheniramine (Jaccard=0.38) diazepam skin_cancer GAP_HIGH 0.1268 0.35714285714285715 azatadine High-priority: Binding assay diazepam→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.36) l-dopa ankylosing_spondylitis GAP_HIGH 0.1268 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in ankylosing_spondylitis cell model. Expected: similar to carbidopa (Jaccard=0.35) brompheniramine ulcerative_colitis GAP_HIGH 0.1268 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in ulcerative_colitis cell model. Expected: similar to reboxetine (Jaccard=0.33) desipramine azoospermia GAP_HIGH 0.1268 0.3333333333333333 aprindine High-priority: Binding assay desipramine→?; validate in azoospermia cell model. Expected: similar to aprindine (Jaccard=0.33) bevantolol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1268 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.31) vismodegib chronic_obstructive_pulmonary_disease GAP_HIGH 0.1268 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) benzatropine salivary_gland_cancer GAP_HIGH 0.1268 0.30434782608695654 diphenylpyraline High-priority: Binding assay benzatropine→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.30) aceprometazine vascular_cancer GAP_HIGH 0.1268 0.2857142857142857 bepridil High-priority: Binding assay aceprometazine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.29) ketorolac testicular_cancer GAP_HIGH 0.1268 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in testicular_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) tolterodine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1268 0.2727272727272727 atomoxetine High-priority: Binding assay tolterodine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.27) oxazepam malignant_mesothelioma GAP_HIGH 0.1268 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) atropine germ_cell_cancer GAP_HIGH 0.1268 0.25 alclometasone High-priority: Binding assay atropine→?; validate in germ_cell_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) phenindione pharynx_cancer GAP_HIGH 0.1268 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) fluspirilene systemic_scleroderma GAP_HIGH 0.1268 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in systemic_scleroderma cell model. Expected: similar to loperamide (Jaccard=0.24) cladribine ulcerative_colitis GAP_HIGH 0.1268 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.22) diethylpropion chronic_kidney_failure GAP_HIGH 0.1268 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.22) medroxyprogesterone_acetate malignant_mesothelioma GAP_HIGH 0.1268 0.2222222222222222 dexamethasone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in malignant_mesothelioma cell model. Expected: similar to dexamethasone (Jaccard=0.22) ethylmorphine thymus_cancer GAP_HIGH 0.1268 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) phenmetrazine malignant_mesothelioma GAP_HIGH 0.1268 0.2 warfarin High-priority: Binding assay phenmetrazine→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.20) codeine prostate_cancer GAP_HIGH 0.1268 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) metolazone creutzfeldt-jakob_disease GAP_LOW 0.1268 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs creutzfeldt-jakob_disease targets. Cross-check metolazone pharmacophore against creutzfeldt-jakob_disease pathway. metolazone sclerosing_cholangitis GAP_LOW 0.1268 0.14285714285714285 dapsone Low-priority: Computational docking metolazone vs sclerosing_cholangitis targets. Cross-check metolazone pharmacophore against sclerosing_cholangitis pathway. midodrine epilepsy_syndrome GAP_LOW 0.1268 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs epilepsy_syndrome targets. Cross-check midodrine pharmacophore against epilepsy_syndrome pathway. gliclazide esophageal_cancer GAP_LOW 0.1268 0.13333333333333333 docetaxel Low-priority: Computational docking gliclazide vs esophageal_cancer targets. Cross-check gliclazide pharmacophore against esophageal_cancer pathway. l-citrulline head_and_neck_cancer GAP_LOW 0.1268 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs head_and_neck_cancer targets. Cross-check l-citrulline pharmacophore against head_and_neck_cancer pathway. l-citrulline malignant_glioma GAP_LOW 0.1268 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs malignant_glioma targets. Cross-check l-citrulline pharmacophore against malignant_glioma pathway. triamterene intracranial_aneurysm GAP_LOW 0.1268 0.1 dexamethasone Low-priority: Computational docking triamterene vs intracranial_aneurysm targets. Cross-check triamterene pharmacophore against intracranial_aneurysm pathway. dinoprostone amyotrophic_lateral_sclerosis GAP_LOW 0.1268 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs amyotrophic_lateral_sclerosis targets. Cross-check dinoprostone pharmacophore against amyotrophic_lateral_sclerosis pathway. dinoprostone autistic_disorder GAP_LOW 0.1268 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs autistic_disorder targets. Cross-check dinoprostone pharmacophore against autistic_disorder pathway. dinoprostone parkinsons_disease GAP_LOW 0.1268 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs parkinsons_disease targets. Cross-check dinoprostone pharmacophore against parkinsons_disease pathway. pasireotide kidney_cancer GAP_LOW 0.1268 0.08333333333333333 sulfamethizole Low-priority: Computational docking pasireotide vs kidney_cancer targets. Cross-check pasireotide pharmacophore against kidney_cancer pathway. losartan glaucoma GAP_LOW 0.1268 0.041666666666666664 pseudoephedrine Low-priority: Computational docking losartan vs glaucoma targets. Cross-check losartan pharmacophore against glaucoma pathway. flutamide hepatitis_b GAP_LOW 0.1268 0.029411764705882353 adenosine_triphosphate Low-priority: Computational docking flutamide vs hepatitis_b targets. Cross-check flutamide pharmacophore against hepatitis_b pathway. methocarbamol alcohol_dependence GAP_LOW 0.1268 0.021739130434782608 mazindol Low-priority: Computational docking methocarbamol vs alcohol_dependence targets. Cross-check methocarbamol pharmacophore against alcohol_dependence pathway. orlistat pharynx_cancer GAP_LOW 0.1268 0.0 hydrocortisone Low-priority: Computational docking orlistat vs pharynx_cancer targets. Cross-check orlistat pharmacophore against pharynx_cancer pathway. trimipramine membranous_glomerulonephritis GAP_HIGH 0.1267 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alimemazine (Jaccard=0.44) sunitinib obesity GAP_HIGH 0.1267 0.3333333333333333 captopril High-priority: Binding assay sunitinib→?; validate in obesity cell model. Expected: similar to captopril (Jaccard=0.33) anileridine metabolic_syndrome_x GAP_HIGH 0.1267 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in metabolic_syndrome_x cell model. Expected: similar to loperamide (Jaccard=0.26) fluspirilene uterine_fibroid GAP_HIGH 0.1267 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in uterine_fibroid cell model. Expected: similar to loperamide (Jaccard=0.24) enalapril coronary_artery_disease GAP_HIGH 0.1267 0.23076923076923078 moexipril High-priority: Binding assay enalapril→?; validate in coronary_artery_disease cell model. Expected: similar to moexipril (Jaccard=0.23) cladribine ovarian_cancer GAP_HIGH 0.1267 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.22) dienestrol psoriatic_arthritis GAP_HIGH 0.1267 0.2 mestranol High-priority: Binding assay dienestrol→?; validate in psoriatic_arthritis cell model. Expected: similar to mestranol (Jaccard=0.20) medroxyprogesterone_acetate type_1_diabetes_mellitus GAP_HIGH 0.1267 0.2 glyburide High-priority: Binding assay medroxyprogesterone_acetate→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.20) alendronate atherosclerosis GAP_HIGH 0.1267 0.17647058823529413 phenelzine High-priority: Binding assay alendronate→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.18) estradiol_valeratedienogest dilated_cardiomyopathy GAP_HIGH 0.1267 0.16666666666666666 medrysone High-priority: Binding assay estradiol_valeratedienogest→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.17) colchicine epilepsy_syndrome GAP_LOW 0.1267 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs epilepsy_syndrome targets. Cross-check colchicine pharmacophore against epilepsy_syndrome pathway. travoprost duodenum_cancer GAP_LOW 0.1267 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs duodenum_cancer targets. Cross-check travoprost pharmacophore against duodenum_cancer pathway. travoprost gallbladder_cancer GAP_LOW 0.1267 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs gallbladder_cancer targets. Cross-check travoprost pharmacophore against gallbladder_cancer pathway. travoprost melanoma GAP_LOW 0.1267 0.1 prednicarbate Low-priority: Computational docking travoprost vs melanoma targets. Cross-check travoprost pharmacophore against melanoma pathway. conivaptan uterine_cancer GAP_LOW 0.1267 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs uterine_cancer targets. Cross-check conivaptan pharmacophore against uterine_cancer pathway. glisoxepide urinary_bladder_cancer GAP_LOW 0.1267 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs urinary_bladder_cancer targets. Cross-check glisoxepide pharmacophore against urinary_bladder_cancer pathway. isradipine kidney_cancer GAP_LOW 0.1267 0.07692307692307693 clocortolone Low-priority: Computational docking isradipine vs kidney_cancer targets. Cross-check isradipine pharmacophore against kidney_cancer pathway. calcium_acetate peripheral_nervous_system_neoplasm GAP_LOW 0.1267 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs peripheral_nervous_system_neoplasm targets. Cross-check calcium_acetate pharmacophore against peripheral_nervous_system_neoplasm pathway. practolol leprosy GAP_LOW 0.1267 0.06666666666666667 sulfamethizole Low-priority: Computational docking practolol vs leprosy targets. Cross-check practolol pharmacophore against leprosy pathway. tetracycline pancreatitis GAP_LOW 0.1267 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs pancreatitis targets. Cross-check tetracycline pharmacophore against pancreatitis pathway. bethanidine pagets_disease_of_bone GAP_LOW 0.1267 0.045454545454545456 clodronate Low-priority: Computational docking bethanidine vs pagets_disease_of_bone targets. Cross-check bethanidine pharmacophore against pagets_disease_of_bone pathway. l-citrulline alcohol_dependence GAP_LOW 0.1267 0.017543859649122806 naloxone Low-priority: Computational docking l-citrulline vs alcohol_dependence targets. Cross-check l-citrulline pharmacophore against alcohol_dependence pathway. orlistat ankylosing_spondylitis GAP_LOW 0.1267 0.0 flurazepam Low-priority: Computational docking orlistat vs ankylosing_spondylitis targets. Cross-check orlistat pharmacophore against ankylosing_spondylitis pathway. bromfenac membranous_glomerulonephritis GAP_HIGH 0.1266 0.3684210526315789 mefenamic_acid High-priority: Binding assay bromfenac→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mefenamic_acid (Jaccard=0.37) norethindrone crohns_disease GAP_HIGH 0.1266 0.35 ethinyl_estradiol High-priority: Binding assay norethindrone→?; validate in crohns_disease cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.35) phenelzine osteoporosis GAP_HIGH 0.1266 0.35 pargyline High-priority: Binding assay phenelzine→?; validate in osteoporosis cell model. Expected: similar to pargyline (Jaccard=0.35) brompheniramine sarcoma GAP_HIGH 0.1266 0.3333333333333333 reboxetine High-priority: Binding assay brompheniramine→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.33) reboxetine type_1_diabetes_mellitus GAP_HIGH 0.1266 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.33) naproxen hematologic_cancer GAP_HIGH 0.1266 0.3181818181818182 sotalol High-priority: Binding assay naproxen→?; validate in hematologic_cancer cell model. Expected: similar to sotalol (Jaccard=0.32) cyclizine prostate_cancer GAP_HIGH 0.1266 0.3125 pirenzepine High-priority: Binding assay cyclizine→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.31) benzphetamine membranous_glomerulonephritis GAP_HIGH 0.1266 0.3076923076923077 promethazine High-priority: Binding assay benzphetamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.31) bromodiphenhydramine urinary_bladder_cancer GAP_HIGH 0.1266 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) ketorolac vascular_cancer GAP_HIGH 0.1266 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in vascular_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) oxcarbazepine chronic_kidney_failure GAP_HIGH 0.1266 0.2857142857142857 chlorpromazine High-priority: Binding assay oxcarbazepine→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorpromazine (Jaccard=0.29) benzphetamine malaria GAP_HIGH 0.1266 0.25925925925925924 modafinil High-priority: Binding assay benzphetamine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.26) flunarizine ankylosing_spondylitis GAP_HIGH 0.1266 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in ankylosing_spondylitis cell model. Expected: similar to cinnarizine (Jaccard=0.25) imipramine salivary_gland_cancer GAP_HIGH 0.1266 0.25 aspartame High-priority: Binding assay imipramine→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) paclitaxel focal_segmental_glomerulosclerosis GAP_HIGH 0.1266 0.25 bumetanide High-priority: Binding assay paclitaxel→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.25) tripelennamine hematologic_cancer GAP_HIGH 0.1266 0.25 carbinoxamine High-priority: Binding assay tripelennamine→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.25) bromfenac gestational_diabetes GAP_HIGH 0.1266 0.2413793103448276 bezafibrate High-priority: Binding assay bromfenac→?; validate in gestational_diabetes cell model. Expected: similar to bezafibrate (Jaccard=0.24) l-phenylalanine sclerosing_cholangitis GAP_HIGH 0.1266 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.23) indapamide urinary_bladder_cancer GAP_HIGH 0.1266 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.22) naloxone skin_cancer GAP_HIGH 0.1266 0.2222222222222222 dinoprostone High-priority: Binding assay naloxone→?; validate in skin_cancer cell model. Expected: similar to dinoprostone (Jaccard=0.22) ethylmorphine hematologic_cancer GAP_HIGH 0.1266 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) floxuridine brain_cancer GAP_HIGH 0.1266 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.20) floxuridine intracranial_aneurysm GAP_HIGH 0.1266 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.20) l-citrulline uterine_fibroid GAP_HIGH 0.1266 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in uterine_fibroid cell model. Expected: similar to l-serine (Jaccard=0.18) codeine mediastinal_cancer GAP_HIGH 0.1266 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) procarbazine gestational_diabetes GAP_HIGH 0.1266 0.15384615384615385 gliquidone High-priority: Binding assay procarbazine→?; validate in gestational_diabetes cell model. Expected: similar to gliquidone (Jaccard=0.15) arformoterol membranous_glomerulonephritis GAP_LOW 0.1266 0.15 tamsulosin Low-priority: Computational docking arformoterol vs membranous_glomerulonephritis targets. Cross-check arformoterol pharmacophore against membranous_glomerulonephritis pathway. arformoterol head_and_neck_cancer GAP_LOW 0.1266 0.14285714285714285 clodronate Low-priority: Computational docking arformoterol vs head_and_neck_cancer targets. Cross-check arformoterol pharmacophore against head_and_neck_cancer pathway. arformoterol malignant_glioma GAP_LOW 0.1266 0.14285714285714285 etidronic_acid Low-priority: Computational docking arformoterol vs malignant_glioma targets. Cross-check arformoterol pharmacophore against malignant_glioma pathway. ergocalciferol esophageal_cancer GAP_LOW 0.1266 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs esophageal_cancer targets. Cross-check ergocalciferol pharmacophore against esophageal_cancer pathway. etidronic_acid glaucoma GAP_LOW 0.1266 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs glaucoma targets. Cross-check etidronic_acid pharmacophore against glaucoma pathway. tenofovir hypertension GAP_LOW 0.1266 0.14285714285714285 pitavastatin Low-priority: Computational docking tenofovir vs hypertension targets. Cross-check tenofovir pharmacophore against hypertension pathway. l-citrulline nephrolithiasis GAP_LOW 0.1266 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs nephrolithiasis targets. Cross-check l-citrulline pharmacophore against nephrolithiasis pathway. tamsulosin acquired_immunodeficiency_syndrome GAP_LOW 0.1266 0.10714285714285714 nateglinide Low-priority: Computational docking tamsulosin vs acquired_immunodeficiency_syndrome targets. Cross-check tamsulosin pharmacophore against acquired_immunodeficiency_syndrome pathway. glisoxepide attention_deficit_hyperactivity_disorder GAP_LOW 0.1266 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs attention_deficit_hyperactivity_disorder targets. Cross-check glisoxepide pharmacophore against attention_deficit_hyperactivity_disorder pathway. isradipine azoospermia GAP_LOW 0.1266 0.08333333333333333 meclizine Low-priority: Computational docking isradipine vs azoospermia targets. Cross-check isradipine pharmacophore against azoospermia pathway. isradipine nephrolithiasis GAP_LOW 0.1266 0.07692307692307693 clocortolone Low-priority: Computational docking isradipine vs nephrolithiasis targets. Cross-check isradipine pharmacophore against nephrolithiasis pathway. glipizide meningioma GAP_LOW 0.1266 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs meningioma targets. Cross-check glipizide pharmacophore against meningioma pathway. isradipine glaucoma GAP_LOW 0.1266 0.07142857142857142 propranolol Low-priority: Computational docking isradipine vs glaucoma targets. Cross-check isradipine pharmacophore against glaucoma pathway. sulpiride intracranial_aneurysm GAP_LOW 0.1266 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs intracranial_aneurysm targets. Cross-check sulpiride pharmacophore against intracranial_aneurysm pathway. triamterene dilated_cardiomyopathy GAP_LOW 0.1266 0.05 progesterone Low-priority: Computational docking triamterene vs dilated_cardiomyopathy targets. Cross-check triamterene pharmacophore against dilated_cardiomyopathy pathway. l-tyrosine hypothyroidism GAP_LOW 0.1266 0.038461538461538464 methimazole Low-priority: Computational docking l-tyrosine vs hypothyroidism targets. Cross-check l-tyrosine pharmacophore against hypothyroidism pathway. tafluprost lymphatic_system_cancer GAP_LOW 0.1266 0.03508771929824561 s-adenosylmethionine Low-priority: Computational docking tafluprost vs lymphatic_system_cancer targets. Cross-check tafluprost pharmacophore against lymphatic_system_cancer pathway. l-cysteine dilated_cardiomyopathy GAP_LOW 0.1266 0.0196078431372549 rimexolone Low-priority: Computational docking l-cysteine vs dilated_cardiomyopathy targets. Cross-check l-cysteine pharmacophore against dilated_cardiomyopathy pathway. gemcitabine hypothyroidism GAP_LOW 0.1266 0.0 methimazole Low-priority: Computational docking gemcitabine vs hypothyroidism targets. Cross-check gemcitabine pharmacophore against hypothyroidism pathway. isoprenaline hypothyroidism GAP_LOW 0.1266 0.0 methimazole Low-priority: Computational docking isoprenaline vs hypothyroidism targets. Cross-check isoprenaline pharmacophore against hypothyroidism pathway. orlistat thyroid_cancer GAP_LOW 0.1266 0.0 hydrocortisone Low-priority: Computational docking orlistat vs thyroid_cancer targets. Cross-check orlistat pharmacophore against thyroid_cancer pathway. pargyline hypothyroidism GAP_LOW 0.1266 0.0 methimazole Low-priority: Computational docking pargyline vs hypothyroidism targets. Cross-check pargyline pharmacophore against hypothyroidism pathway. propofol germ_cell_cancer GAP_LOW 0.1266 0.0 hydrocortisone Low-priority: Computational docking propofol vs germ_cell_cancer targets. Cross-check propofol pharmacophore against germ_cell_cancer pathway. sorafenib hypothyroidism GAP_LOW 0.1266 0.0 methimazole Low-priority: Computational docking sorafenib vs hypothyroidism targets. Cross-check sorafenib pharmacophore against hypothyroidism pathway. drospirenone pharynx_cancer GAP_HIGH 0.1265 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in pharynx_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) trifluoperazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1265 0.4166666666666667 azatadine High-priority: Binding assay trifluoperazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.42) methotrimeprazine muscle_cancer GAP_HIGH 0.1265 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) salsalate primary_biliary_cirrhosis GAP_HIGH 0.1265 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.38) cyclopentolate urinary_bladder_cancer GAP_HIGH 0.1265 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) benzatropine ocular_cancer GAP_HIGH 0.1265 0.30434782608695654 diphenylpyraline High-priority: Binding assay benzatropine→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.30) bromodiphenhydramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1265 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.30) prednisolone kidney_cancer GAP_HIGH 0.1265 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in kidney_cancer cell model. Expected: similar to amcinonide (Jaccard=0.29) anileridine vaginal_cancer GAP_HIGH 0.1265 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in vaginal_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) anileridine vulva_cancer GAP_HIGH 0.1265 0.2608695652173913 loperamide High-priority: Binding assay anileridine→?; validate in vulva_cancer cell model. Expected: similar to loperamide (Jaccard=0.26) estazolam stomach_cancer GAP_HIGH 0.1265 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in stomach_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) imipramine muscle_cancer GAP_HIGH 0.1265 0.25 aspartame High-priority: Binding assay imipramine→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) calcidiol creutzfeldt-jakob_disease GAP_HIGH 0.1265 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pimozide (Jaccard=0.17) fulvestrant dilated_cardiomyopathy GAP_HIGH 0.1265 0.16666666666666666 dydrogesterone High-priority: Binding assay fulvestrant→?; validate in dilated_cardiomyopathy cell model. Expected: similar to dydrogesterone (Jaccard=0.17) codeine thymus_cancer GAP_HIGH 0.1265 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) tioguanine hepatitis_b GAP_LOW 0.1265 0.125 emtricitabine Low-priority: Computational docking tioguanine vs hepatitis_b targets. Cross-check tioguanine pharmacophore against hepatitis_b pathway. methsuximide esophageal_cancer GAP_LOW 0.1265 0.10526315789473684 tamoxifen Low-priority: Computational docking methsuximide vs esophageal_cancer targets. Cross-check methsuximide pharmacophore against esophageal_cancer pathway. dinoprostone attention_deficit_hyperactivity_disorder GAP_LOW 0.1265 0.09090909090909091 salicylic_acid Low-priority: Computational docking dinoprostone vs attention_deficit_hyperactivity_disorder targets. Cross-check dinoprostone pharmacophore against attention_deficit_hyperactivity_disorder pathway. epoprostenol alzheimers_disease GAP_LOW 0.1265 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs alzheimers_disease targets. Cross-check epoprostenol pharmacophore against alzheimers_disease pathway. epoprostenol parkinsons_disease GAP_LOW 0.1265 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs parkinsons_disease targets. Cross-check epoprostenol pharmacophore against parkinsons_disease pathway. glisoxepide creutzfeldt-jakob_disease GAP_LOW 0.1265 0.07692307692307693 desipramine Low-priority: Computational docking glisoxepide vs creutzfeldt-jakob_disease targets. Cross-check glisoxepide pharmacophore against creutzfeldt-jakob_disease pathway. mephentermine alcohol_dependence GAP_LOW 0.1265 0.0625 ethylmorphine Low-priority: Computational docking mephentermine vs alcohol_dependence targets. Cross-check mephentermine pharmacophore against alcohol_dependence pathway. phenelzine pagets_disease_of_bone GAP_LOW 0.1265 0.058823529411764705 clodronate Low-priority: Computational docking phenelzine vs pagets_disease_of_bone targets. Cross-check phenelzine pharmacophore against pagets_disease_of_bone pathway. imatinib leprosy GAP_LOW 0.1265 0.03571428571428571 lenalidomide Low-priority: Computational docking imatinib vs leprosy targets. Cross-check imatinib pharmacophore against leprosy pathway. dihomo-gamma-linolenic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1265 0.0 methdilazine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. lubiprostone focal_segmental_glomerulosclerosis GAP_LOW 0.1265 0.0 methdilazine Low-priority: Computational docking lubiprostone vs focal_segmental_glomerulosclerosis targets. Cross-check lubiprostone pharmacophore against focal_segmental_glomerulosclerosis pathway. orlistat chronic_obstructive_pulmonary_disease GAP_LOW 0.1265 0.0 hydrocortisone Low-priority: Computational docking orlistat vs chronic_obstructive_pulmonary_disease targets. Cross-check orlistat pharmacophore against chronic_obstructive_pulmonary_disease pathway. orlistat epilepsy_syndrome GAP_LOW 0.1265 0.0 flurazepam Low-priority: Computational docking orlistat vs epilepsy_syndrome targets. Cross-check orlistat pharmacophore against epilepsy_syndrome pathway. l-dopa pancreatitis GAP_HIGH 0.1264 0.35 carbidopa High-priority: Binding assay l-dopa→?; validate in pancreatitis cell model. Expected: similar to carbidopa (Jaccard=0.35) prednisolone nephrolithiasis GAP_HIGH 0.1264 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in nephrolithiasis cell model. Expected: similar to amcinonide (Jaccard=0.29) aprindine membranous_glomerulonephritis GAP_HIGH 0.1264 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to dimetacrine (Jaccard=0.28) butenafine pharynx_cancer GAP_HIGH 0.1264 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in pharynx_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.25) estazolam pancreatic_cancer GAP_HIGH 0.1264 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in pancreatic_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) imipramine ocular_cancer GAP_HIGH 0.1264 0.25 aspartame High-priority: Binding assay imipramine→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) fluspirilene polycystic_ovary_syndrome GAP_HIGH 0.1264 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to loperamide (Jaccard=0.24) fluspirilene type_2_diabetes_mellitus GAP_HIGH 0.1264 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to loperamide (Jaccard=0.24) flurazepam ulcerative_colitis GAP_HIGH 0.1264 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in ulcerative_colitis cell model. Expected: similar to clozapine (Jaccard=0.22) vidarabine esophageal_cancer GAP_HIGH 0.1264 0.19047619047619047 gemcitabine High-priority: Binding assay vidarabine→?; validate in esophageal_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.19) phenmetrazine hepatitis_b GAP_HIGH 0.1264 0.16666666666666666 mitiglinide High-priority: Binding assay phenmetrazine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.17) anisindione idiopathic_pulmonary_fibrosis GAP_LOW 0.1264 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs idiopathic_pulmonary_fibrosis targets. Cross-check anisindione pharmacophore against idiopathic_pulmonary_fibrosis pathway. aminocaproic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1264 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check aminocaproic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. streptozocin creutzfeldt-jakob_disease GAP_LOW 0.1264 0.1111111111111111 phenylephrine Low-priority: Computational docking streptozocin vs creutzfeldt-jakob_disease targets. Cross-check streptozocin pharmacophore against creutzfeldt-jakob_disease pathway. fluspirilene alcohol_dependence GAP_LOW 0.1264 0.10810810810810811 mazindol Low-priority: Computational docking fluspirilene vs alcohol_dependence targets. Cross-check fluspirilene pharmacophore against alcohol_dependence pathway. amlodipine duodenum_cancer GAP_LOW 0.1264 0.1 naftifine Low-priority: Computational docking amlodipine vs duodenum_cancer targets. Cross-check amlodipine pharmacophore against duodenum_cancer pathway. amlodipine gallbladder_cancer GAP_LOW 0.1264 0.1 naftifine Low-priority: Computational docking amlodipine vs gallbladder_cancer targets. Cross-check amlodipine pharmacophore against gallbladder_cancer pathway. amodiaquine salivary_gland_cancer GAP_LOW 0.1264 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs salivary_gland_cancer targets. Cross-check amodiaquine pharmacophore against salivary_gland_cancer pathway. lercanidipine sclerosing_cholangitis GAP_LOW 0.1264 0.1 fentanyl Low-priority: Computational docking lercanidipine vs sclerosing_cholangitis targets. Cross-check lercanidipine pharmacophore against sclerosing_cholangitis pathway. bimatoprost intracranial_aneurysm GAP_LOW 0.1264 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs intracranial_aneurysm targets. Cross-check bimatoprost pharmacophore against intracranial_aneurysm pathway. benzthiazide coronary_artery_disease GAP_LOW 0.1264 0.08571428571428572 fenoprofen Low-priority: Computational docking benzthiazide vs coronary_artery_disease targets. Cross-check benzthiazide pharmacophore against coronary_artery_disease pathway. agomelatine dilated_cardiomyopathy GAP_LOW 0.1264 0.08 hydrocortisone Low-priority: Computational docking agomelatine vs dilated_cardiomyopathy targets. Cross-check agomelatine pharmacophore against dilated_cardiomyopathy pathway. epoprostenol amyotrophic_lateral_sclerosis GAP_LOW 0.1264 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs amyotrophic_lateral_sclerosis targets. Cross-check epoprostenol pharmacophore against amyotrophic_lateral_sclerosis pathway. epoprostenol autistic_disorder GAP_LOW 0.1264 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs autistic_disorder targets. Cross-check epoprostenol pharmacophore against autistic_disorder pathway. epoprostenol nicotine_dependence GAP_LOW 0.1264 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs nicotine_dependence targets. Cross-check epoprostenol pharmacophore against nicotine_dependence pathway. l-asparagine focal_segmental_glomerulosclerosis GAP_LOW 0.1264 0.06896551724137931 calcium_acetate Low-priority: Computational docking l-asparagine vs focal_segmental_glomerulosclerosis targets. Cross-check l-asparagine pharmacophore against focal_segmental_glomerulosclerosis pathway. tetracycline lung_cancer GAP_LOW 0.1264 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs lung_cancer targets. Cross-check tetracycline pharmacophore against lung_cancer pathway. tetracycline rectum_cancer GAP_LOW 0.1264 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs rectum_cancer targets. Cross-check tetracycline pharmacophore against rectum_cancer pathway. acetylsalicylic_acid pagets_disease_of_bone GAP_LOW 0.1264 0.05555555555555555 histamine_phosphate Low-priority: Computational docking acetylsalicylic_acid vs pagets_disease_of_bone targets. Cross-check acetylsalicylic_acid pharmacophore against pagets_disease_of_bone pathway. tofisopam hepatitis_b GAP_LOW 0.1264 0.05555555555555555 trandolapril Low-priority: Computational docking tofisopam vs hepatitis_b targets. Cross-check tofisopam pharmacophore against hepatitis_b pathway. tetracycline prostate_cancer GAP_LOW 0.1264 0.045454545454545456 propranolol Low-priority: Computational docking tetracycline vs prostate_cancer targets. Cross-check tetracycline pharmacophore against prostate_cancer pathway. aminolevulinic_acid mediastinal_cancer GAP_LOW 0.1264 0.02702702702702703 lapatinib Low-priority: Computational docking aminolevulinic_acid vs mediastinal_cancer targets. Cross-check aminolevulinic_acid pharmacophore against mediastinal_cancer pathway. l-methionine dilated_cardiomyopathy GAP_LOW 0.1264 0.0196078431372549 rimexolone Low-priority: Computational docking l-methionine vs dilated_cardiomyopathy targets. Cross-check l-methionine pharmacophore against dilated_cardiomyopathy pathway. aminolevulinic_acid membranous_glomerulonephritis GAP_LOW 0.1264 0.015384615384615385 adenosine_triphosphate Low-priority: Computational docking aminolevulinic_acid vs membranous_glomerulonephritis targets. Cross-check aminolevulinic_acid pharmacophore against membranous_glomerulonephritis pathway. amphetamine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking amphetamine vs gestational_diabetes targets. Cross-check amphetamine pharmacophore against gestational_diabetes pathway. calcium_acetate alcohol_dependence GAP_LOW 0.1264 0.0 midazolam Low-priority: Computational docking calcium_acetate vs alcohol_dependence targets. Cross-check calcium_acetate pharmacophore against alcohol_dependence pathway. clofibrate bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking clofibrate vs bone_cancer targets. Cross-check clofibrate pharmacophore against bone_cancer pathway. cyproheptadine pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking cyproheptadine vs pagets_disease_of_bone targets. Cross-check cyproheptadine pharmacophore against pagets_disease_of_bone pathway. difenoxin pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking difenoxin vs pagets_disease_of_bone targets. Cross-check difenoxin pharmacophore against pagets_disease_of_bone pathway. disopyramide pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking disopyramide vs pagets_disease_of_bone targets. Cross-check disopyramide pharmacophore against pagets_disease_of_bone pathway. drostanolone pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking drostanolone vs pagets_disease_of_bone targets. Cross-check drostanolone pharmacophore against pagets_disease_of_bone pathway. isocarboxazid pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking isocarboxazid vs pagets_disease_of_bone targets. Cross-check isocarboxazid pharmacophore against pagets_disease_of_bone pathway. l-arginine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-arginine vs gestational_diabetes targets. Cross-check l-arginine pharmacophore against gestational_diabetes pathway. l-asparagine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking l-asparagine vs bone_cancer targets. Cross-check l-asparagine pharmacophore against bone_cancer pathway. l-asparagine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-asparagine vs gestational_diabetes targets. Cross-check l-asparagine pharmacophore against gestational_diabetes pathway. l-aspartic_acid bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking l-aspartic_acid vs bone_cancer targets. Cross-check l-aspartic_acid pharmacophore against bone_cancer pathway. l-aspartic_acid gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-aspartic_acid vs gestational_diabetes targets. Cross-check l-aspartic_acid pharmacophore against gestational_diabetes pathway. l-carnitine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking l-carnitine vs bone_cancer targets. Cross-check l-carnitine pharmacophore against bone_cancer pathway. l-carnitine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-carnitine vs gestational_diabetes targets. Cross-check l-carnitine pharmacophore against gestational_diabetes pathway. l-cysteine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking l-cysteine vs bone_cancer targets. Cross-check l-cysteine pharmacophore against bone_cancer pathway. l-cysteine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-cysteine vs gestational_diabetes targets. Cross-check l-cysteine pharmacophore against gestational_diabetes pathway. l-methionine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-methionine vs gestational_diabetes targets. Cross-check l-methionine pharmacophore against gestational_diabetes pathway. l-ornithine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking l-ornithine vs bone_cancer targets. Cross-check l-ornithine pharmacophore against bone_cancer pathway. l-ornithine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking l-ornithine vs gestational_diabetes targets. Cross-check l-ornithine pharmacophore against gestational_diabetes pathway. lercanidipine alcohol_dependence GAP_LOW 0.1264 0.0 midazolam Low-priority: Computational docking lercanidipine vs alcohol_dependence targets. Cross-check lercanidipine pharmacophore against alcohol_dependence pathway. linaclotide bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking linaclotide vs bone_cancer targets. Cross-check linaclotide pharmacophore against bone_cancer pathway. oxazepam pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking oxazepam vs pagets_disease_of_bone targets. Cross-check oxazepam pharmacophore against pagets_disease_of_bone pathway. papaverine alcohol_dependence GAP_LOW 0.1264 0.0 midazolam Low-priority: Computational docking papaverine vs alcohol_dependence targets. Cross-check papaverine pharmacophore against alcohol_dependence pathway. pentostatin pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking pentostatin vs pagets_disease_of_bone targets. Cross-check pentostatin pharmacophore against pagets_disease_of_bone pathway. phenmetrazine pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking phenmetrazine vs pagets_disease_of_bone targets. Cross-check phenmetrazine pharmacophore against pagets_disease_of_bone pathway. pyrimethamine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking pyrimethamine vs bone_cancer targets. Cross-check pyrimethamine pharmacophore against bone_cancer pathway. pyrimethamine gestational_diabetes GAP_LOW 0.1264 0.0 tolazamide Low-priority: Computational docking pyrimethamine vs gestational_diabetes targets. Cross-check pyrimethamine pharmacophore against gestational_diabetes pathway. quinacrine bone_cancer GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking quinacrine vs bone_cancer targets. Cross-check quinacrine pharmacophore against bone_cancer pathway. tofisopam alcohol_dependence GAP_LOW 0.1264 0.0 midazolam Low-priority: Computational docking tofisopam vs alcohol_dependence targets. Cross-check tofisopam pharmacophore against alcohol_dependence pathway. vidarabine pagets_disease_of_bone GAP_LOW 0.1264 0.0 ibandronate Low-priority: Computational docking vidarabine vs pagets_disease_of_bone targets. Cross-check vidarabine pharmacophore against pagets_disease_of_bone pathway. bromfenac polycystic_ovary_syndrome GAP_HIGH 0.1263 0.4117647058823529 clonidine High-priority: Binding assay bromfenac→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clonidine (Jaccard=0.41) carbidopa thyroid_cancer GAP_HIGH 0.1263 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.35) norethindrone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1263 0.35 ethinyl_estradiol High-priority: Binding assay norethindrone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.35) ketoprofen restless_legs_syndrome GAP_HIGH 0.1263 0.3333333333333333 indomethacin High-priority: Binding assay ketoprofen→?; validate in restless_legs_syndrome cell model. Expected: similar to indomethacin (Jaccard=0.33) lacosamide colon_cancer GAP_HIGH 0.1263 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.33) oxcarbazepine melanoma GAP_HIGH 0.1263 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in melanoma cell model. Expected: similar to phenylbutazone (Jaccard=0.31) butenafine ankylosing_spondylitis GAP_HIGH 0.1263 0.25 propranolol High-priority: Binding assay butenafine→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.25) estazolam uterine_cancer GAP_HIGH 0.1263 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in uterine_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) paclitaxel type_1_diabetes_mellitus GAP_HIGH 0.1263 0.25 glyburide High-priority: Binding assay paclitaxel→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.25) flurazepam psoriasis GAP_HIGH 0.1263 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in psoriasis cell model. Expected: similar to clozapine (Jaccard=0.22) flurazepam uterine_cancer GAP_HIGH 0.1263 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.22) hydromorphone ankylosing_spondylitis GAP_HIGH 0.1263 0.2 bromazepam High-priority: Binding assay hydromorphone→?; validate in ankylosing_spondylitis cell model. Expected: similar to bromazepam (Jaccard=0.20) lenalidomide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1263 0.2 dipivefrin High-priority: Binding assay lenalidomide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dipivefrin (Jaccard=0.20) l-citrulline polycystic_ovary_syndrome GAP_HIGH 0.1263 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to l-serine (Jaccard=0.18) dasatinib azoospermia GAP_HIGH 0.1263 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) ephedrine melanoma GAP_HIGH 0.1263 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.17) codeine hematologic_cancer GAP_HIGH 0.1263 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) alendronate alcohol_dependence GAP_LOW 0.1263 0.14285714285714285 temazepam Low-priority: Computational docking alendronate vs alcohol_dependence targets. Cross-check alendronate pharmacophore against alcohol_dependence pathway. anisindione prostate_cancer GAP_LOW 0.1263 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs prostate_cancer targets. Cross-check anisindione pharmacophore against prostate_cancer pathway. carvedilol hematologic_cancer GAP_LOW 0.1263 0.08695652173913043 pseudoephedrine Low-priority: Computational docking carvedilol vs hematologic_cancer targets. Cross-check carvedilol pharmacophore against hematologic_cancer pathway. glisoxepide breast_cancer GAP_LOW 0.1263 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs breast_cancer targets. Cross-check glisoxepide pharmacophore against breast_cancer pathway. glisoxepide conduct_disorder GAP_LOW 0.1263 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs conduct_disorder targets. Cross-check glisoxepide pharmacophore against conduct_disorder pathway. tetracycline rheumatoid_arthritis GAP_LOW 0.1263 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs rheumatoid_arthritis targets. Cross-check tetracycline pharmacophore against rheumatoid_arthritis pathway. l-ornithine brain_cancer GAP_LOW 0.1263 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs brain_cancer targets. Cross-check l-ornithine pharmacophore against brain_cancer pathway. l-ornithine intracranial_aneurysm GAP_LOW 0.1263 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs intracranial_aneurysm targets. Cross-check l-ornithine pharmacophore against intracranial_aneurysm pathway. ranolazine germ_cell_cancer GAP_LOW 0.1263 0.0625 epirubicin Low-priority: Computational docking ranolazine vs germ_cell_cancer targets. Cross-check ranolazine pharmacophore against germ_cell_cancer pathway. tetracycline alzheimers_disease GAP_LOW 0.1263 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs alzheimers_disease targets. Cross-check tetracycline pharmacophore against alzheimers_disease pathway. spirapril celiac_disease GAP_LOW 0.1263 0.047619047619047616 fentanyl Low-priority: Computational docking spirapril vs celiac_disease targets. Cross-check spirapril pharmacophore against celiac_disease pathway. acetylcysteine melanoma GAP_LOW 0.1263 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs melanoma targets. Cross-check acetylcysteine pharmacophore against melanoma pathway. aminolevulinic_acid thymus_cancer GAP_LOW 0.1263 0.02702702702702703 lapatinib Low-priority: Computational docking aminolevulinic_acid vs thymus_cancer targets. Cross-check aminolevulinic_acid pharmacophore against thymus_cancer pathway. acetylcysteine gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking acetylcysteine vs gilles_de_la_tourette_syndrome targets. Cross-check acetylcysteine pharmacophore against gilles_de_la_tourette_syndrome pathway. caffeine gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking caffeine vs gilles_de_la_tourette_syndrome targets. Cross-check caffeine pharmacophore against gilles_de_la_tourette_syndrome pathway. dihomo-gamma-linolenic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. lubiprostone gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking lubiprostone vs gilles_de_la_tourette_syndrome targets. Cross-check lubiprostone pharmacophore against gilles_de_la_tourette_syndrome pathway. orlistat pancreatitis GAP_LOW 0.1263 0.0 hydrocortisone Low-priority: Computational docking orlistat vs pancreatitis targets. Cross-check orlistat pharmacophore against pancreatitis pathway. penicillamine gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking penicillamine vs gilles_de_la_tourette_syndrome targets. Cross-check penicillamine pharmacophore against gilles_de_la_tourette_syndrome pathway. sodium_tetradecyl_sulfate gilles_de_la_tourette_syndrome GAP_LOW 0.1263 0.0 loxapine Low-priority: Computational docking sodium_tetradecyl_sulfate vs gilles_de_la_tourette_syndrome targets. Cross-check sodium_tetradecyl_sulfate pharmacophore against gilles_de_la_tourette_syndrome pathway. isopropamide rectum_cancer GAP_HIGH 0.1262 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) lacosamide stomach_cancer GAP_HIGH 0.1262 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.33) propiomazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1262 0.3333333333333333 orphenadrine High-priority: Binding assay propiomazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to orphenadrine (Jaccard=0.33) fludiazepam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1262 0.3157894736842105 azatadine High-priority: Binding assay fludiazepam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.32) mefenamic_acid azoospermia GAP_HIGH 0.1262 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in azoospermia cell model. Expected: similar to salsalate (Jaccard=0.32) cyclizine coronary_artery_disease GAP_HIGH 0.1262 0.3125 temazepam High-priority: Binding assay cyclizine→?; validate in coronary_artery_disease cell model. Expected: similar to temazepam (Jaccard=0.31) prednisolone celiac_disease GAP_HIGH 0.1262 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in celiac_disease cell model. Expected: similar to amcinonide (Jaccard=0.29) methadyl_acetate pharynx_cancer GAP_HIGH 0.1262 0.2608695652173913 methadone High-priority: Binding assay methadyl_acetate→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.26) butenafine thyroid_cancer GAP_HIGH 0.1262 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in thyroid_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.25) phenindione salivary_gland_cancer GAP_HIGH 0.1262 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) lapatinib crohns_disease GAP_HIGH 0.1262 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in crohns_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) ponatinib duodenum_cancer GAP_HIGH 0.1262 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in duodenum_cancer cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib gallbladder_cancer GAP_HIGH 0.1262 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in gallbladder_cancer cell model. Expected: similar to meclizine (Jaccard=0.20) pirbuterol melanoma GAP_HIGH 0.1262 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in melanoma cell model. Expected: similar to methyldopa (Jaccard=0.19) codeine uterine_fibroid GAP_HIGH 0.1262 0.17647058823529413 benzatropine High-priority: Binding assay codeine→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.18) anisindione mediastinal_cancer GAP_LOW 0.1262 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs mediastinal_cancer targets. Cross-check anisindione pharmacophore against mediastinal_cancer pathway. metolazone chronic_obstructive_pulmonary_disease GAP_LOW 0.1262 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs chronic_obstructive_pulmonary_disease targets. Cross-check metolazone pharmacophore against chronic_obstructive_pulmonary_disease pathway. midodrine alzheimers_disease GAP_LOW 0.1262 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs alzheimers_disease targets. Cross-check midodrine pharmacophore against alzheimers_disease pathway. midodrine parkinsons_disease GAP_LOW 0.1262 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs parkinsons_disease targets. Cross-check midodrine pharmacophore against parkinsons_disease pathway. naloxone atherosclerosis GAP_LOW 0.1262 0.13043478260869565 pseudoephedrine Low-priority: Computational docking naloxone vs atherosclerosis targets. Cross-check naloxone pharmacophore against atherosclerosis pathway. arformoterol atherosclerosis GAP_LOW 0.1262 0.1111111111111111 phenelzine Low-priority: Computational docking arformoterol vs atherosclerosis targets. Cross-check arformoterol pharmacophore against atherosclerosis pathway. vorinostat intracranial_aneurysm GAP_LOW 0.1262 0.10526315789473684 progesterone Low-priority: Computational docking vorinostat vs intracranial_aneurysm targets. Cross-check vorinostat pharmacophore against intracranial_aneurysm pathway. carvedilol autistic_disorder GAP_LOW 0.1262 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs autistic_disorder targets. Cross-check carvedilol pharmacophore against autistic_disorder pathway. ibuprofen breast_cancer GAP_LOW 0.1262 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking ibuprofen vs breast_cancer targets. Cross-check ibuprofen pharmacophore against breast_cancer pathway. conivaptan skin_cancer GAP_LOW 0.1262 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs skin_cancer targets. Cross-check conivaptan pharmacophore against skin_cancer pathway. glisoxepide bipolar_disorder GAP_LOW 0.1262 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs bipolar_disorder targets. Cross-check glisoxepide pharmacophore against bipolar_disorder pathway. epoprostenol attention_deficit_hyperactivity_disorder GAP_LOW 0.1262 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs attention_deficit_hyperactivity_disorder targets. Cross-check epoprostenol pharmacophore against attention_deficit_hyperactivity_disorder pathway. tafluprost head_and_neck_cancer GAP_LOW 0.1262 0.07142857142857142 prednicarbate Low-priority: Computational docking tafluprost vs head_and_neck_cancer targets. Cross-check tafluprost pharmacophore against head_and_neck_cancer pathway. tafluprost malignant_glioma GAP_LOW 0.1262 0.07142857142857142 prednicarbate Low-priority: Computational docking tafluprost vs malignant_glioma targets. Cross-check tafluprost pharmacophore against malignant_glioma pathway. calcium_acetate breast_cancer GAP_LOW 0.1262 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs breast_cancer targets. Cross-check calcium_acetate pharmacophore against breast_cancer pathway. glisoxepide meningioma GAP_LOW 0.1262 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs meningioma targets. Cross-check glisoxepide pharmacophore against meningioma pathway. tetracycline amyotrophic_lateral_sclerosis GAP_LOW 0.1262 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs amyotrophic_lateral_sclerosis targets. Cross-check tetracycline pharmacophore against amyotrophic_lateral_sclerosis pathway. tetracycline autistic_disorder GAP_LOW 0.1262 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs autistic_disorder targets. Cross-check tetracycline pharmacophore against autistic_disorder pathway. tetracycline liver_cancer GAP_LOW 0.1262 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs liver_cancer targets. Cross-check tetracycline pharmacophore against liver_cancer pathway. tetracycline nicotine_dependence GAP_LOW 0.1262 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs nicotine_dependence targets. Cross-check tetracycline pharmacophore against nicotine_dependence pathway. tetracycline parkinsons_disease GAP_LOW 0.1262 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs parkinsons_disease targets. Cross-check tetracycline pharmacophore against parkinsons_disease pathway. colchicine dilated_cardiomyopathy GAP_LOW 0.1262 0.047619047619047616 progesterone Low-priority: Computational docking colchicine vs dilated_cardiomyopathy targets. Cross-check colchicine pharmacophore against dilated_cardiomyopathy pathway. caffeine type_1_diabetes_mellitus GAP_LOW 0.1262 0.0 hydrocortisone Low-priority: Computational docking caffeine vs type_1_diabetes_mellitus targets. Cross-check caffeine pharmacophore against type_1_diabetes_mellitus pathway. orlistat salivary_gland_cancer GAP_LOW 0.1262 0.0 hydrocortisone Low-priority: Computational docking orlistat vs salivary_gland_cancer targets. Cross-check orlistat pharmacophore against salivary_gland_cancer pathway. penicillamine type_1_diabetes_mellitus GAP_LOW 0.1262 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs type_1_diabetes_mellitus targets. Cross-check penicillamine pharmacophore against type_1_diabetes_mellitus pathway. phensuximide vascular_cancer GAP_HIGH 0.1261 0.35555555555555557 chlorpromazine High-priority: Binding assay phensuximide→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.36) diazepam duodenum_cancer GAP_HIGH 0.1261 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in duodenum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) diazepam gallbladder_cancer GAP_HIGH 0.1261 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in gallbladder_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) sunitinib type_2_diabetes_mellitus GAP_HIGH 0.1261 0.3333333333333333 captopril High-priority: Binding assay sunitinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to captopril (Jaccard=0.33) cyclizine hematologic_cancer GAP_HIGH 0.1261 0.3125 pirenzepine High-priority: Binding assay cyclizine→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.31) vismodegib alzheimers_disease GAP_HIGH 0.1261 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in alzheimers_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) prednicarbate pancreatitis GAP_HIGH 0.1261 0.2631578947368421 fludrocortisone High-priority: Binding assay prednicarbate→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.26) butenafine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1261 0.25 propranolol High-priority: Binding assay butenafine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to propranolol (Jaccard=0.25) imipramine urinary_bladder_cancer GAP_HIGH 0.1261 0.25 aspartame High-priority: Binding assay imipramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to aspartame (Jaccard=0.25) fluspirilene rheumatoid_arthritis GAP_HIGH 0.1261 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in rheumatoid_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) l-phenylalanine ankylosing_spondylitis GAP_HIGH 0.1261 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.23) indapamide hypertension GAP_HIGH 0.1261 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in hypertension cell model. Expected: similar to tamsulosin (Jaccard=0.22) hydromorphone epilepsy_syndrome GAP_HIGH 0.1261 0.2 bromazepam High-priority: Binding assay hydromorphone→?; validate in epilepsy_syndrome cell model. Expected: similar to bromazepam (Jaccard=0.20) ketazolam pharynx_cancer GAP_HIGH 0.1261 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) melatonin prostate_cancer GAP_HIGH 0.1261 0.16666666666666666 estriol High-priority: Binding assay melatonin→?; validate in prostate_cancer cell model. Expected: similar to estriol (Jaccard=0.17) colchicine alzheimers_disease GAP_LOW 0.1261 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs alzheimers_disease targets. Cross-check colchicine pharmacophore against alzheimers_disease pathway. colchicine parkinsons_disease GAP_LOW 0.1261 0.14285714285714285 cyproheptadine Low-priority: Computational docking colchicine vs parkinsons_disease targets. Cross-check colchicine pharmacophore against parkinsons_disease pathway. tolbutamide melanoma GAP_LOW 0.1261 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs melanoma targets. Cross-check tolbutamide pharmacophore against melanoma pathway. midodrine autistic_disorder GAP_LOW 0.1261 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs autistic_disorder targets. Cross-check midodrine pharmacophore against autistic_disorder pathway. amodiaquine ocular_cancer GAP_LOW 0.1261 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs ocular_cancer targets. Cross-check amodiaquine pharmacophore against ocular_cancer pathway. glipizide uterine_cancer GAP_LOW 0.1261 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs uterine_cancer targets. Cross-check glipizide pharmacophore against uterine_cancer pathway. conivaptan vaginal_cancer GAP_LOW 0.1261 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs vaginal_cancer targets. Cross-check conivaptan pharmacophore against vaginal_cancer pathway. conivaptan vulva_cancer GAP_LOW 0.1261 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs vulva_cancer targets. Cross-check conivaptan pharmacophore against vulva_cancer pathway. glisoxepide endogenous_depression GAP_LOW 0.1261 0.08333333333333333 indapamide Low-priority: Computational docking glisoxepide vs endogenous_depression targets. Cross-check glisoxepide pharmacophore against endogenous_depression pathway. quinestrol larynx_cancer GAP_LOW 0.1261 0.07142857142857142 cabazitaxel Low-priority: Computational docking quinestrol vs larynx_cancer targets. Cross-check quinestrol pharmacophore against larynx_cancer pathway. tetracycline psoriatic_arthritis GAP_LOW 0.1261 0.07142857142857142 streptozocin Low-priority: Computational docking tetracycline vs psoriatic_arthritis targets. Cross-check tetracycline pharmacophore against psoriatic_arthritis pathway. tafluprost focal_segmental_glomerulosclerosis GAP_LOW 0.1261 0.0625 floctafenine Low-priority: Computational docking tafluprost vs focal_segmental_glomerulosclerosis targets. Cross-check tafluprost pharmacophore against focal_segmental_glomerulosclerosis pathway. ribavirin leprosy GAP_LOW 0.1261 0.05555555555555555 lenalidomide Low-priority: Computational docking ribavirin vs leprosy targets. Cross-check ribavirin pharmacophore against leprosy pathway. candesartan celiac_disease GAP_LOW 0.1261 0.05 droxidopa Low-priority: Computational docking candesartan vs celiac_disease targets. Cross-check candesartan pharmacophore against celiac_disease pathway. glutethimide brain_cancer GAP_LOW 0.1261 0.037037037037037035 fluticasone_propionate Low-priority: Computational docking glutethimide vs brain_cancer targets. Cross-check glutethimide pharmacophore against brain_cancer pathway. glutethimide intracranial_aneurysm GAP_LOW 0.1261 0.037037037037037035 fluticasone_propionate Low-priority: Computational docking glutethimide vs intracranial_aneurysm targets. Cross-check glutethimide pharmacophore against intracranial_aneurysm pathway. methohexital meningioma GAP_LOW 0.1261 0.03125 phenylbutazone Low-priority: Computational docking methohexital vs meningioma targets. Cross-check methohexital pharmacophore against meningioma pathway. amitriptyline hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking amitriptyline vs hypothyroidism targets. Cross-check amitriptyline pharmacophore against hypothyroidism pathway. bepridil hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking bepridil vs hypothyroidism targets. Cross-check bepridil pharmacophore against hypothyroidism pathway. diethylstilbestrol hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking diethylstilbestrol vs hypothyroidism targets. Cross-check diethylstilbestrol pharmacophore against hypothyroidism pathway. megestrol_acetate hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking megestrol_acetate vs hypothyroidism targets. Cross-check megestrol_acetate pharmacophore against hypothyroidism pathway. orlistat muscle_cancer GAP_LOW 0.1261 0.0 hydrocortisone Low-priority: Computational docking orlistat vs muscle_cancer targets. Cross-check orlistat pharmacophore against muscle_cancer pathway. oxaprozin hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking oxaprozin vs hypothyroidism targets. Cross-check oxaprozin pharmacophore against hypothyroidism pathway. vindesine hypothyroidism GAP_LOW 0.1261 0.0 methimazole Low-priority: Computational docking vindesine vs hypothyroidism targets. Cross-check vindesine pharmacophore against hypothyroidism pathway. dimetacrine penile_cancer GAP_HIGH 0.126 0.4074074074074074 methadone High-priority: Binding assay dimetacrine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.41) methotrimeprazine urinary_bladder_cancer GAP_HIGH 0.126 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) isopropamide liver_cancer GAP_HIGH 0.126 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) lacosamide osteoporosis GAP_HIGH 0.126 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in osteoporosis cell model. Expected: similar to phenacemide (Jaccard=0.33) lacosamide ovarian_cancer GAP_HIGH 0.126 0.3333333333333333 phenacemide High-priority: Binding assay lacosamide→?; validate in ovarian_cancer cell model. Expected: similar to phenacemide (Jaccard=0.33) vismodegib autistic_disorder GAP_HIGH 0.126 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) vismodegib nicotine_dependence GAP_HIGH 0.126 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) aprindine chronic_obstructive_pulmonary_disease GAP_HIGH 0.126 0.3 dimetindene High-priority: Binding assay aprindine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dimetindene (Jaccard=0.30) ketorolac polycystic_ovary_syndrome GAP_HIGH 0.126 0.2857142857142857 tiaprofenic_acid High-priority: Binding assay ketorolac→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.29) imipramine peripheral_nervous_system_neoplasm GAP_HIGH 0.126 0.25 aspartame High-priority: Binding assay imipramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.25) olanzapine chronic_obstructive_pulmonary_disease GAP_HIGH 0.126 0.25 haloperidol High-priority: Binding assay olanzapine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to haloperidol (Jaccard=0.25) testosterone brain_cancer GAP_HIGH 0.126 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in brain_cancer cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) tolterodine atherosclerosis GAP_HIGH 0.126 0.21428571428571427 warfarin High-priority: Binding assay tolterodine→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.21) nandrolone_phenpropionate alzheimers_disease GAP_HIGH 0.126 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in alzheimers_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.20) nandrolone_phenpropionate parkinsons_disease GAP_HIGH 0.126 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in parkinsons_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.20) l-citrulline rheumatoid_arthritis GAP_HIGH 0.126 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in rheumatoid_arthritis cell model. Expected: similar to l-serine (Jaccard=0.18) anisindione thymus_cancer GAP_LOW 0.126 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs thymus_cancer targets. Cross-check anisindione pharmacophore against thymus_cancer pathway. colchicine amyotrophic_lateral_sclerosis GAP_LOW 0.126 0.14285714285714285 cyproheptadine Low-priority: Computational docking colchicine vs amyotrophic_lateral_sclerosis targets. Cross-check colchicine pharmacophore against amyotrophic_lateral_sclerosis pathway. colchicine autistic_disorder GAP_LOW 0.126 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs autistic_disorder targets. Cross-check colchicine pharmacophore against autistic_disorder pathway. colchicine nicotine_dependence GAP_LOW 0.126 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs nicotine_dependence targets. Cross-check colchicine pharmacophore against nicotine_dependence pathway. tenofovir metabolic_syndrome_x GAP_LOW 0.126 0.14285714285714285 pitavastatin Low-priority: Computational docking tenofovir vs metabolic_syndrome_x targets. Cross-check tenofovir pharmacophore against metabolic_syndrome_x pathway. halazepam azoospermia GAP_LOW 0.126 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs azoospermia targets. Cross-check halazepam pharmacophore against azoospermia pathway. lercanidipine ankylosing_spondylitis GAP_LOW 0.126 0.1 fentanyl Low-priority: Computational docking lercanidipine vs ankylosing_spondylitis targets. Cross-check lercanidipine pharmacophore against ankylosing_spondylitis pathway. captopril idiopathic_pulmonary_fibrosis GAP_LOW 0.126 0.08333333333333333 epinephrine Low-priority: Computational docking captopril vs idiopathic_pulmonary_fibrosis targets. Cross-check captopril pharmacophore against idiopathic_pulmonary_fibrosis pathway. clofibrate refractive_error GAP_LOW 0.126 0.08333333333333333 epinephrine Low-priority: Computational docking clofibrate vs refractive_error targets. Cross-check clofibrate pharmacophore against refractive_error pathway. conivaptan testicular_cancer GAP_LOW 0.126 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs testicular_cancer targets. Cross-check conivaptan pharmacophore against testicular_cancer pathway. glisoxepide uterine_cancer GAP_LOW 0.126 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs uterine_cancer targets. Cross-check glisoxepide pharmacophore against uterine_cancer pathway. irbesartan osteoarthritis GAP_LOW 0.126 0.07142857142857142 gliclazide Low-priority: Computational docking irbesartan vs osteoarthritis targets. Cross-check irbesartan pharmacophore against osteoarthritis pathway. irbesartan chronic_obstructive_pulmonary_disease GAP_LOW 0.126 0.0625 masoprocol Low-priority: Computational docking irbesartan vs chronic_obstructive_pulmonary_disease targets. Cross-check irbesartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. tetracycline peripheral_nervous_system_neoplasm GAP_LOW 0.126 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs peripheral_nervous_system_neoplasm targets. Cross-check tetracycline pharmacophore against peripheral_nervous_system_neoplasm pathway. epoprostenol azoospermia GAP_LOW 0.126 0.05555555555555555 tiaprofenic_acid Low-priority: Computational docking epoprostenol vs azoospermia targets. Cross-check epoprostenol pharmacophore against azoospermia pathway. ponatinib gestational_diabetes GAP_LOW 0.126 0.05405405405405406 gliclazide Low-priority: Computational docking ponatinib vs gestational_diabetes targets. Cross-check ponatinib pharmacophore against gestational_diabetes pathway. gliclazide dilated_cardiomyopathy GAP_LOW 0.126 0.05263157894736842 trandolapril Low-priority: Computational docking gliclazide vs dilated_cardiomyopathy targets. Cross-check gliclazide pharmacophore against dilated_cardiomyopathy pathway. benazepril glaucoma GAP_LOW 0.126 0.045454545454545456 pseudoephedrine Low-priority: Computational docking benazepril vs glaucoma targets. Cross-check benazepril pharmacophore against glaucoma pathway. aminolevulinic_acid metabolic_syndrome_x GAP_LOW 0.126 0.043478260869565216 dydrogesterone Low-priority: Computational docking aminolevulinic_acid vs metabolic_syndrome_x targets. Cross-check aminolevulinic_acid pharmacophore against metabolic_syndrome_x pathway. glutethimide refractive_error GAP_LOW 0.126 0.041666666666666664 chlorphenesin Low-priority: Computational docking glutethimide vs refractive_error targets. Cross-check glutethimide pharmacophore against refractive_error pathway. aminophenazone hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking aminophenazone vs hepatitis_b targets. Cross-check aminophenazone pharmacophore against hepatitis_b pathway. aprobarbital hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking aprobarbital vs hepatitis_b targets. Cross-check aprobarbital pharmacophore against hepatitis_b pathway. butabarbital hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking butabarbital vs hepatitis_b targets. Cross-check butabarbital pharmacophore against hepatitis_b pathway. butethal hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking butethal vs hepatitis_b targets. Cross-check butethal pharmacophore against hepatitis_b pathway. equilin hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking equilin vs hepatitis_b targets. Cross-check equilin pharmacophore against hepatitis_b pathway. heptabarbital hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking heptabarbital vs hepatitis_b targets. Cross-check heptabarbital pharmacophore against hepatitis_b pathway. orlistat lung_cancer GAP_LOW 0.126 0.0 hydrocortisone Low-priority: Computational docking orlistat vs lung_cancer targets. Cross-check orlistat pharmacophore against lung_cancer pathway. orlistat rectum_cancer GAP_LOW 0.126 0.0 hydrocortisone Low-priority: Computational docking orlistat vs rectum_cancer targets. Cross-check orlistat pharmacophore against rectum_cancer pathway. phenobarbital hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking phenobarbital vs hepatitis_b targets. Cross-check phenobarbital pharmacophore against hepatitis_b pathway. primidone hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking primidone vs hepatitis_b targets. Cross-check primidone pharmacophore against hepatitis_b pathway. propofol penile_cancer GAP_LOW 0.126 0.0 hydrocortisone Low-priority: Computational docking propofol vs penile_cancer targets. Cross-check propofol pharmacophore against penile_cancer pathway. quazepam hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking quazepam vs hepatitis_b targets. Cross-check quazepam pharmacophore against hepatitis_b pathway. talbutal hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking talbutal vs hepatitis_b targets. Cross-check talbutal pharmacophore against hepatitis_b pathway. thiamylal hepatitis_b GAP_LOW 0.126 0.0 mitiglinide Low-priority: Computational docking thiamylal vs hepatitis_b targets. Cross-check thiamylal pharmacophore against hepatitis_b pathway. modafinil narcolepsy GAP_HIGH 0.1259 0.45454545454545453 diphenylpyraline High-priority: Binding assay modafinil→?; validate in narcolepsy cell model. Expected: similar to diphenylpyraline (Jaccard=0.45) pipotiazine thyroid_cancer GAP_HIGH 0.1259 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.44) drospirenone pancreatitis GAP_HIGH 0.1259 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in pancreatitis cell model. Expected: similar to fludrocortisone (Jaccard=0.43) oxaprozin thyroid_cancer GAP_HIGH 0.1259 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) salsalate refractive_error GAP_HIGH 0.1259 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.35) isopropamide membranous_glomerulonephritis GAP_HIGH 0.1259 0.3076923076923077 promethazine High-priority: Binding assay isopropamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.31) fulvestrant ocular_cancer GAP_HIGH 0.1259 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in ocular_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) floctafenine narcolepsy GAP_HIGH 0.1259 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in narcolepsy cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) methadyl_acetate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1259 0.25 atomoxetine High-priority: Binding assay methadyl_acetate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.25) phenindione ocular_cancer GAP_HIGH 0.1259 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.24) fluspirilene psoriatic_arthritis GAP_HIGH 0.1259 0.23529411764705882 loperamide High-priority: Binding assay fluspirilene→?; validate in psoriatic_arthritis cell model. Expected: similar to loperamide (Jaccard=0.24) mepyramine melanoma GAP_HIGH 0.1259 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.22) indomethacin autistic_disorder GAP_HIGH 0.1259 0.2 diclofenac High-priority: Binding assay indomethacin→?; validate in autistic_disorder cell model. Expected: similar to diclofenac (Jaccard=0.20) indomethacin nicotine_dependence GAP_HIGH 0.1259 0.2 diclofenac High-priority: Binding assay indomethacin→?; validate in nicotine_dependence cell model. Expected: similar to diclofenac (Jaccard=0.20) l-tryptophan head_and_neck_cancer GAP_HIGH 0.1259 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in head_and_neck_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) nandrolone_phenpropionate autistic_disorder GAP_HIGH 0.1259 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.20) nandrolone_phenpropionate nicotine_dependence GAP_HIGH 0.1259 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in nicotine_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.20) ponatinib creutzfeldt-jakob_disease GAP_HIGH 0.1259 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to meclizine (Jaccard=0.20) pirbuterol sclerosing_cholangitis GAP_HIGH 0.1259 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in sclerosing_cholangitis cell model. Expected: similar to methyldopa (Jaccard=0.19) dienestrol pharynx_cancer GAP_HIGH 0.1259 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in pharynx_cancer cell model. Expected: similar to mesalazine (Jaccard=0.18) ephedrine lung_cancer GAP_HIGH 0.1259 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) ephedrine rectum_cancer GAP_HIGH 0.1259 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) zafirlukast hematologic_cancer GAP_HIGH 0.1259 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in hematologic_cancer cell model. Expected: similar to lisinopril (Jaccard=0.18) zafirlukast narcolepsy GAP_HIGH 0.1259 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in narcolepsy cell model. Expected: similar to lisinopril (Jaccard=0.18) ergocalciferol prostate_cancer GAP_HIGH 0.1259 0.16666666666666666 enzalutamide High-priority: Binding assay ergocalciferol→?; validate in prostate_cancer cell model. Expected: similar to enzalutamide (Jaccard=0.17) melatonin primary_biliary_cirrhosis GAP_HIGH 0.1259 0.16666666666666666 atropine High-priority: Binding assay melatonin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to atropine (Jaccard=0.17) anisindione hematologic_cancer GAP_LOW 0.1259 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs hematologic_cancer targets. Cross-check anisindione pharmacophore against hematologic_cancer pathway. midodrine attention_deficit_hyperactivity_disorder GAP_LOW 0.1259 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs attention_deficit_hyperactivity_disorder targets. Cross-check midodrine pharmacophore against attention_deficit_hyperactivity_disorder pathway. prazepam crohns_disease GAP_LOW 0.1259 0.125 mazindol Low-priority: Computational docking prazepam vs crohns_disease targets. Cross-check prazepam pharmacophore against crohns_disease pathway. streptozocin ankylosing_spondylitis GAP_LOW 0.1259 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs ankylosing_spondylitis targets. Cross-check streptozocin pharmacophore against ankylosing_spondylitis pathway. travoprost ankylosing_spondylitis GAP_LOW 0.1259 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs ankylosing_spondylitis targets. Cross-check travoprost pharmacophore against ankylosing_spondylitis pathway. tolbutamide atherosclerosis GAP_LOW 0.1259 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs atherosclerosis targets. Cross-check tolbutamide pharmacophore against atherosclerosis pathway. travoprost kidney_cancer GAP_LOW 0.1259 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs kidney_cancer targets. Cross-check travoprost pharmacophore against kidney_cancer pathway. epoprostenol conduct_disorder GAP_LOW 0.1259 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs conduct_disorder targets. Cross-check epoprostenol pharmacophore against conduct_disorder pathway. epoprostenol panic_disorder GAP_LOW 0.1259 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs panic_disorder targets. Cross-check epoprostenol pharmacophore against panic_disorder pathway. epoprostenol schizophrenia GAP_LOW 0.1259 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs schizophrenia targets. Cross-check epoprostenol pharmacophore against schizophrenia pathway. l-citrulline lymphatic_system_cancer GAP_LOW 0.1259 0.07142857142857142 glucosamine Low-priority: Computational docking l-citrulline vs lymphatic_system_cancer targets. Cross-check l-citrulline pharmacophore against lymphatic_system_cancer pathway. calcium_acetate ovarian_cancer GAP_LOW 0.1259 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs ovarian_cancer targets. Cross-check calcium_acetate pharmacophore against ovarian_cancer pathway. calcium_acetate uterine_cancer GAP_LOW 0.1259 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs uterine_cancer targets. Cross-check calcium_acetate pharmacophore against uterine_cancer pathway. tetracycline attention_deficit_hyperactivity_disorder GAP_LOW 0.1259 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs attention_deficit_hyperactivity_disorder targets. Cross-check tetracycline pharmacophore against attention_deficit_hyperactivity_disorder pathway. cilazapril chronic_kidney_failure GAP_LOW 0.1259 0.05263157894736842 trimipramine Low-priority: Computational docking cilazapril vs chronic_kidney_failure targets. Cross-check cilazapril pharmacophore against chronic_kidney_failure pathway. cilazapril glaucoma GAP_LOW 0.1259 0.045454545454545456 pseudoephedrine Low-priority: Computational docking cilazapril vs glaucoma targets. Cross-check cilazapril pharmacophore against glaucoma pathway. orlistat alzheimers_disease GAP_LOW 0.1259 0.0 flurazepam Low-priority: Computational docking orlistat vs alzheimers_disease targets. Cross-check orlistat pharmacophore against alzheimers_disease pathway. drospirenone salivary_gland_cancer GAP_HIGH 0.1258 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in salivary_gland_cancer cell model. Expected: similar to fludrocortisone (Jaccard=0.43) prednisone amyotrophic_lateral_sclerosis GAP_HIGH 0.1258 0.391304347826087 fludrocortisone High-priority: Binding assay prednisone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.39) isopropamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1258 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.33) salicylate-sodium idiopathic_pulmonary_fibrosis GAP_HIGH 0.1258 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to droxidopa (Jaccard=0.33) aprindine pancreatitis GAP_HIGH 0.1258 0.3 bromodiphenhydramine High-priority: Binding assay aprindine→?; validate in pancreatitis cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.30) butenafine salivary_gland_cancer GAP_HIGH 0.1258 0.25 propranolol High-priority: Binding assay butenafine→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) flunarizine malignant_mesothelioma GAP_HIGH 0.1258 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.23) ethylmorphine melanoma GAP_HIGH 0.1258 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in melanoma cell model. Expected: similar to isopropamide (Jaccard=0.21) difenoxin gout GAP_HIGH 0.1258 0.20689655172413793 modafinil High-priority: Binding assay difenoxin→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.21) droperidol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1258 0.2 cetirizine High-priority: Binding assay droperidol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.20) floxuridine head_and_neck_cancer GAP_HIGH 0.1258 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in head_and_neck_cancer cell model. Expected: similar to methotrexate (Jaccard=0.20) floxuridine malignant_glioma GAP_HIGH 0.1258 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in malignant_glioma cell model. Expected: similar to methotrexate (Jaccard=0.20) l-tryptophan kidney_cancer GAP_HIGH 0.1258 0.2 acetaminophen High-priority: Binding assay l-tryptophan→?; validate in kidney_cancer cell model. Expected: similar to acetaminophen (Jaccard=0.20) alprazolam crohns_disease GAP_HIGH 0.1258 0.19047619047619047 mazindol High-priority: Binding assay alprazolam→?; validate in crohns_disease cell model. Expected: similar to mazindol (Jaccard=0.19) nilotinib narcolepsy GAP_HIGH 0.1258 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in narcolepsy cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) l-citrulline psoriatic_arthritis GAP_HIGH 0.1258 0.18085106382978725 l-serine High-priority: Binding assay l-citrulline→?; validate in psoriatic_arthritis cell model. Expected: similar to l-serine (Jaccard=0.18) proparacaine sclerosing_cholangitis GAP_HIGH 0.1258 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.18) choline migraine GAP_LOW 0.1258 0.14285714285714285 triamterene Low-priority: Computational docking choline vs migraine targets. Cross-check choline pharmacophore against migraine pathway. colchicine attention_deficit_hyperactivity_disorder GAP_LOW 0.1258 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs attention_deficit_hyperactivity_disorder targets. Cross-check colchicine pharmacophore against attention_deficit_hyperactivity_disorder pathway. hydrochlorothiazide creutzfeldt-jakob_disease GAP_LOW 0.1258 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs creutzfeldt-jakob_disease targets. Cross-check hydrochlorothiazide pharmacophore against creutzfeldt-jakob_disease pathway. amodiaquine peripheral_nervous_system_neoplasm GAP_LOW 0.1258 0.1 phenylbutazone Low-priority: Computational docking amodiaquine vs peripheral_nervous_system_neoplasm targets. Cross-check amodiaquine pharmacophore against peripheral_nervous_system_neoplasm pathway. metolazone malaria GAP_LOW 0.1258 0.1 sulfamethizole Low-priority: Computational docking metolazone vs malaria targets. Cross-check metolazone pharmacophore against malaria pathway. quinestrol membranous_glomerulonephritis GAP_LOW 0.1258 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs membranous_glomerulonephritis targets. Cross-check quinestrol pharmacophore against membranous_glomerulonephritis pathway. aminocaproic_acid chronic_kidney_failure GAP_LOW 0.1258 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs chronic_kidney_failure targets. Cross-check aminocaproic_acid pharmacophore against chronic_kidney_failure pathway. travoprost nephrolithiasis GAP_LOW 0.1258 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs nephrolithiasis targets. Cross-check travoprost pharmacophore against nephrolithiasis pathway. calcium_acetate sarcoma GAP_LOW 0.1258 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs sarcoma targets. Cross-check calcium_acetate pharmacophore against sarcoma pathway. estropipate membranous_glomerulonephritis GAP_LOW 0.1258 0.0625 toremifene Low-priority: Computational docking estropipate vs membranous_glomerulonephritis targets. Cross-check estropipate pharmacophore against membranous_glomerulonephritis pathway. irbesartan creutzfeldt-jakob_disease GAP_LOW 0.1258 0.058823529411764705 phenelzine Low-priority: Computational docking irbesartan vs creutzfeldt-jakob_disease targets. Cross-check irbesartan pharmacophore against creutzfeldt-jakob_disease pathway. orlistat autistic_disorder GAP_LOW 0.1258 0.0 flurazepam Low-priority: Computational docking orlistat vs autistic_disorder targets. Cross-check orlistat pharmacophore against autistic_disorder pathway. orlistat liver_cancer GAP_LOW 0.1258 0.0 hydrocortisone Low-priority: Computational docking orlistat vs liver_cancer targets. Cross-check orlistat pharmacophore against liver_cancer pathway. orlistat nicotine_dependence GAP_LOW 0.1258 0.0 cinolazepam Low-priority: Computational docking orlistat vs nicotine_dependence targets. Cross-check orlistat pharmacophore against nicotine_dependence pathway. orlistat parkinsons_disease GAP_LOW 0.1258 0.0 cinolazepam Low-priority: Computational docking orlistat vs parkinsons_disease targets. Cross-check orlistat pharmacophore against parkinsons_disease pathway. amitriptyline celiac_disease GAP_HIGH 0.1257 0.36363636363636365 atomoxetine High-priority: Binding assay amitriptyline→?; validate in celiac_disease cell model. Expected: similar to atomoxetine (Jaccard=0.36) oxcarbazepine pharynx_cancer GAP_HIGH 0.1257 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) mazindol atherosclerosis GAP_HIGH 0.1257 0.30612244897959184 flurbiprofen High-priority: Binding assay mazindol→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.31) bromodiphenhydramine sarcoma GAP_HIGH 0.1257 0.3 tamoxifen High-priority: Binding assay bromodiphenhydramine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.30) alverine penile_cancer GAP_HIGH 0.1257 0.28 methadone High-priority: Binding assay alverine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.28) nitrazepam polycystic_ovary_syndrome GAP_HIGH 0.1257 0.2727272727272727 chlorthalidone High-priority: Binding assay nitrazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to chlorthalidone (Jaccard=0.27) drostanolone melanoma GAP_HIGH 0.1257 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in melanoma cell model. Expected: similar to progesterone (Jaccard=0.26) estazolam testicular_cancer GAP_HIGH 0.1257 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in testicular_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) estazolam vaginal_cancer GAP_HIGH 0.1257 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in vaginal_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) estazolam vulva_cancer GAP_HIGH 0.1257 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in vulva_cancer cell model. Expected: similar to clomipramine (Jaccard=0.25) l-phenylalanine pancreatitis GAP_HIGH 0.1257 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in pancreatitis cell model. Expected: similar to phenacemide (Jaccard=0.23) flurazepam vulva_cancer GAP_HIGH 0.1257 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.22) naloxone vitiligo GAP_HIGH 0.1257 0.2222222222222222 docetaxel High-priority: Binding assay naloxone→?; validate in vitiligo cell model. Expected: similar to docetaxel (Jaccard=0.22) phenformin primary_biliary_cirrhosis GAP_HIGH 0.1257 0.2222222222222222 mitiglinide High-priority: Binding assay phenformin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.22) naloxone melanoma GAP_HIGH 0.1257 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in melanoma cell model. Expected: similar to pazopanib (Jaccard=0.20) nandrolone_phenpropionate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1257 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.20) ephedrine liver_cancer GAP_HIGH 0.1257 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) deferasirox celiac_disease GAP_HIGH 0.1257 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in celiac_disease cell model. Expected: similar to vismodegib (Jaccard=0.17) pomalidomide esophageal_cancer GAP_HIGH 0.1257 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) agomelatine brain_cancer GAP_LOW 0.1257 0.14285714285714285 flurandrenolide Low-priority: Computational docking agomelatine vs brain_cancer targets. Cross-check agomelatine pharmacophore against brain_cancer pathway. dopamine azoospermia GAP_LOW 0.1257 0.14285714285714285 indecainide Low-priority: Computational docking dopamine vs azoospermia targets. Cross-check dopamine pharmacophore against azoospermia pathway. ritodrine brain_cancer GAP_LOW 0.1257 0.14285714285714285 clodronate Low-priority: Computational docking ritodrine vs brain_cancer targets. Cross-check ritodrine pharmacophore against brain_cancer pathway. ritodrine intracranial_aneurysm GAP_LOW 0.1257 0.14285714285714285 etidronic_acid Low-priority: Computational docking ritodrine vs intracranial_aneurysm targets. Cross-check ritodrine pharmacophore against intracranial_aneurysm pathway. ramipril gestational_diabetes GAP_LOW 0.1257 0.13333333333333333 sulpiride Low-priority: Computational docking ramipril vs gestational_diabetes targets. Cross-check ramipril pharmacophore against gestational_diabetes pathway. isoetarine lymphatic_system_cancer GAP_LOW 0.1257 0.125 streptozocin Low-priority: Computational docking isoetarine vs lymphatic_system_cancer targets. Cross-check isoetarine pharmacophore against lymphatic_system_cancer pathway. streptozocin epilepsy_syndrome GAP_LOW 0.1257 0.1111111111111111 isoprenaline Low-priority: Computational docking streptozocin vs epilepsy_syndrome targets. Cross-check streptozocin pharmacophore against epilepsy_syndrome pathway. carvedilol asthma GAP_LOW 0.1257 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs asthma targets. Cross-check carvedilol pharmacophore against asthma pathway. travoprost chronic_obstructive_pulmonary_disease GAP_LOW 0.1257 0.1 prednicarbate Low-priority: Computational docking travoprost vs chronic_obstructive_pulmonary_disease targets. Cross-check travoprost pharmacophore against chronic_obstructive_pulmonary_disease pathway. moexipril atherosclerosis GAP_LOW 0.1257 0.08695652173913043 pseudoephedrine Low-priority: Computational docking moexipril vs atherosclerosis targets. Cross-check moexipril pharmacophore against atherosclerosis pathway. aminocaproic_acid type_1_diabetes_mellitus GAP_LOW 0.1257 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs type_1_diabetes_mellitus targets. Cross-check aminocaproic_acid pharmacophore against type_1_diabetes_mellitus pathway. epoprostenol bipolar_disorder GAP_LOW 0.1257 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs bipolar_disorder targets. Cross-check epoprostenol pharmacophore against bipolar_disorder pathway. epoprostenol endogenous_depression GAP_LOW 0.1257 0.07692307692307693 salicylic_acid Low-priority: Computational docking epoprostenol vs endogenous_depression targets. Cross-check epoprostenol pharmacophore against endogenous_depression pathway. glipizide mediastinal_cancer GAP_LOW 0.1257 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs mediastinal_cancer targets. Cross-check glipizide pharmacophore against mediastinal_cancer pathway. l-aspartic_acid type_1_diabetes_mellitus GAP_LOW 0.1257 0.07142857142857142 glyburide Low-priority: Computational docking l-aspartic_acid vs type_1_diabetes_mellitus targets. Cross-check l-aspartic_acid pharmacophore against type_1_diabetes_mellitus pathway. methocarbamol larynx_cancer GAP_LOW 0.1257 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs larynx_cancer targets. Cross-check methocarbamol pharmacophore against larynx_cancer pathway. sulpiride head_and_neck_cancer GAP_LOW 0.1257 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs head_and_neck_cancer targets. Cross-check sulpiride pharmacophore against head_and_neck_cancer pathway. sulpiride malignant_glioma GAP_LOW 0.1257 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs malignant_glioma targets. Cross-check sulpiride pharmacophore against malignant_glioma pathway. tetracycline panic_disorder GAP_LOW 0.1257 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs panic_disorder targets. Cross-check tetracycline pharmacophore against panic_disorder pathway. tetracycline schizophrenia GAP_LOW 0.1257 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs schizophrenia targets. Cross-check tetracycline pharmacophore against schizophrenia pathway. orlistat amyotrophic_lateral_sclerosis GAP_LOW 0.1257 0.0 cinolazepam Low-priority: Computational docking orlistat vs amyotrophic_lateral_sclerosis targets. Cross-check orlistat pharmacophore against amyotrophic_lateral_sclerosis pathway. diphenylpyraline liver_cancer GAP_HIGH 0.1256 0.45454545454545453 diphenhydramine High-priority: Binding assay diphenylpyraline→?; validate in liver_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.45) pheniramine celiac_disease GAP_HIGH 0.1256 0.3684210526315789 benzatropine High-priority: Binding assay pheniramine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.37) alimemazine esophageal_cancer GAP_HIGH 0.1256 0.3333333333333333 tamoxifen High-priority: Binding assay alimemazine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) diazepam focal_segmental_glomerulosclerosis GAP_HIGH 0.1256 0.2857142857142857 trifluoperazine High-priority: Binding assay diazepam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.29) prednicarbate amyotrophic_lateral_sclerosis GAP_HIGH 0.1256 0.2631578947368421 fludrocortisone High-priority: Binding assay prednicarbate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.26) methadyl_acetate salivary_gland_cancer GAP_HIGH 0.1256 0.2608695652173913 methadone High-priority: Binding assay methadyl_acetate→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.26) phenindione peripheral_nervous_system_neoplasm GAP_HIGH 0.1256 0.23809523809523808 phenylbutazone High-priority: Binding assay phenindione→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.24) sulfapyridine azoospermia GAP_HIGH 0.1256 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) dimetindene mediastinal_cancer GAP_HIGH 0.1256 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) mepyramine sclerosing_cholangitis GAP_HIGH 0.1256 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to reboxetine (Jaccard=0.22) sulfanilamide skin_cancer GAP_HIGH 0.1256 0.21428571428571427 sulfamethizole High-priority: Binding assay sulfanilamide→?; validate in skin_cancer cell model. Expected: similar to sulfamethizole (Jaccard=0.21) ethinyl_estradiol alcohol_dependence GAP_HIGH 0.1256 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.21) sunitinib alcohol_dependence GAP_HIGH 0.1256 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.19) antipyrine pharynx_cancer GAP_HIGH 0.1256 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) quinethazone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1256 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ritodrine (Jaccard=0.18) codeine membranous_glomerulonephritis GAP_LOW 0.1256 0.14285714285714285 propiomazine Low-priority: Computational docking codeine vs membranous_glomerulonephritis targets. Cross-check codeine pharmacophore against membranous_glomerulonephritis pathway. tenofovir obesity GAP_LOW 0.1256 0.14285714285714285 pitavastatin Low-priority: Computational docking tenofovir vs obesity targets. Cross-check tenofovir pharmacophore against obesity pathway. midodrine panic_disorder GAP_LOW 0.1256 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs panic_disorder targets. Cross-check midodrine pharmacophore against panic_disorder pathway. midodrine schizophrenia GAP_LOW 0.1256 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs schizophrenia targets. Cross-check midodrine pharmacophore against schizophrenia pathway. latanoprost gout GAP_LOW 0.1256 0.1111111111111111 suprofen Low-priority: Computational docking latanoprost vs gout targets. Cross-check latanoprost pharmacophore against gout pathway. methyclothiazide acquired_immunodeficiency_syndrome GAP_LOW 0.1256 0.10526315789473684 nateglinide Low-priority: Computational docking methyclothiazide vs acquired_immunodeficiency_syndrome targets. Cross-check methyclothiazide pharmacophore against acquired_immunodeficiency_syndrome pathway. carvedilol allergic_rhinitis GAP_LOW 0.1256 0.1 acetylsalicylic_acid Low-priority: Computational docking carvedilol vs allergic_rhinitis targets. Cross-check carvedilol pharmacophore against allergic_rhinitis pathway. carvedilol atopic_dermatitis GAP_LOW 0.1256 0.1 epinephrine Low-priority: Computational docking carvedilol vs atopic_dermatitis targets. Cross-check carvedilol pharmacophore against atopic_dermatitis pathway. pasireotide nicotine_dependence GAP_LOW 0.1256 0.1 salicylate-sodium Low-priority: Computational docking pasireotide vs nicotine_dependence targets. Cross-check pasireotide pharmacophore against nicotine_dependence pathway. bimatoprost head_and_neck_cancer GAP_LOW 0.1256 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs head_and_neck_cancer targets. Cross-check bimatoprost pharmacophore against head_and_neck_cancer pathway. bimatoprost malignant_glioma GAP_LOW 0.1256 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs malignant_glioma targets. Cross-check bimatoprost pharmacophore against malignant_glioma pathway. glipizide vaginal_cancer GAP_LOW 0.1256 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs vaginal_cancer targets. Cross-check glipizide pharmacophore against vaginal_cancer pathway. glipizide vulva_cancer GAP_LOW 0.1256 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs vulva_cancer targets. Cross-check glipizide pharmacophore against vulva_cancer pathway. conivaptan uterine_fibroid GAP_LOW 0.1256 0.08333333333333333 cladribine Low-priority: Computational docking conivaptan vs uterine_fibroid targets. Cross-check conivaptan pharmacophore against uterine_fibroid pathway. travoprost celiac_disease GAP_LOW 0.1256 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs celiac_disease targets. Cross-check travoprost pharmacophore against celiac_disease pathway. glipizide thymus_cancer GAP_LOW 0.1256 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs thymus_cancer targets. Cross-check glipizide pharmacophore against thymus_cancer pathway. esmolol malaria GAP_LOW 0.1256 0.058823529411764705 warfarin Low-priority: Computational docking esmolol vs malaria targets. Cross-check esmolol pharmacophore against malaria pathway. tetracycline asthma GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs asthma targets. Cross-check tetracycline pharmacophore against asthma pathway. tetracycline atopic_dermatitis GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs atopic_dermatitis targets. Cross-check tetracycline pharmacophore against atopic_dermatitis pathway. tetracycline breast_cancer GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs breast_cancer targets. Cross-check tetracycline pharmacophore against breast_cancer pathway. tetracycline colon_cancer GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs colon_cancer targets. Cross-check tetracycline pharmacophore against colon_cancer pathway. tetracycline conduct_disorder GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs conduct_disorder targets. Cross-check tetracycline pharmacophore against conduct_disorder pathway. tetracycline hypertension GAP_LOW 0.1256 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs hypertension targets. Cross-check tetracycline pharmacophore against hypertension pathway. acetylcysteine brain_cancer GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs brain_cancer targets. Cross-check acetylcysteine pharmacophore against brain_cancer pathway. acetylcysteine intracranial_aneurysm GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs intracranial_aneurysm targets. Cross-check acetylcysteine pharmacophore against intracranial_aneurysm pathway. atomoxetine hypothyroidism GAP_LOW 0.1256 0.0 methimazole Low-priority: Computational docking atomoxetine vs hypothyroidism targets. Cross-check atomoxetine pharmacophore against hypothyroidism pathway. colchicine leprosy GAP_LOW 0.1256 0.0 sulfapyridine Low-priority: Computational docking colchicine vs leprosy targets. Cross-check colchicine pharmacophore against leprosy pathway. cyclizine hypothyroidism GAP_LOW 0.1256 0.0 methimazole Low-priority: Computational docking cyclizine vs hypothyroidism targets. Cross-check cyclizine pharmacophore against hypothyroidism pathway. dyphylline leprosy GAP_LOW 0.1256 0.0 sulfapyridine Low-priority: Computational docking dyphylline vs leprosy targets. Cross-check dyphylline pharmacophore against leprosy pathway. indecainide hypothyroidism GAP_LOW 0.1256 0.0 methimazole Low-priority: Computational docking indecainide vs hypothyroidism targets. Cross-check indecainide pharmacophore against hypothyroidism pathway. loxapine hypothyroidism GAP_LOW 0.1256 0.0 methimazole Low-priority: Computational docking loxapine vs hypothyroidism targets. Cross-check loxapine pharmacophore against hypothyroidism pathway. orlistat peripheral_nervous_system_neoplasm GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking orlistat vs peripheral_nervous_system_neoplasm targets. Cross-check orlistat pharmacophore against peripheral_nervous_system_neoplasm pathway. orlistat urinary_bladder_cancer GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking orlistat vs urinary_bladder_cancer targets. Cross-check orlistat pharmacophore against urinary_bladder_cancer pathway. penicillamine brain_cancer GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs brain_cancer targets. Cross-check penicillamine pharmacophore against brain_cancer pathway. penicillamine intracranial_aneurysm GAP_LOW 0.1256 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs intracranial_aneurysm targets. Cross-check penicillamine pharmacophore against intracranial_aneurysm pathway. procarbazine hypothyroidism GAP_LOW 0.1256 0.0 methimazole Low-priority: Computational docking procarbazine vs hypothyroidism targets. Cross-check procarbazine pharmacophore against hypothyroidism pathway. theophylline leprosy GAP_LOW 0.1256 0.0 sulfapyridine Low-priority: Computational docking theophylline vs leprosy targets. Cross-check theophylline pharmacophore against leprosy pathway. olsalazine ulcerative_colitis GAP_HIGH 0.1255 0.375 sulfaphenazole High-priority: Binding assay olsalazine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfaphenazole (Jaccard=0.38) mazindol membranous_glomerulonephritis GAP_HIGH 0.1255 0.36585365853658536 chlorprothixene High-priority: Binding assay mazindol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.37) carbidopa autistic_disorder GAP_HIGH 0.1255 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.35) carbidopa nicotine_dependence GAP_HIGH 0.1255 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.35) cyclizine mediastinal_cancer GAP_HIGH 0.1255 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) olsalazine malaria GAP_HIGH 0.1255 0.2916666666666667 sulfapyridine High-priority: Binding assay olsalazine→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.29) butenafine ocular_cancer GAP_HIGH 0.1255 0.25 propranolol High-priority: Binding assay butenafine→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) cinnarizine gilles_de_la_tourette_syndrome GAP_HIGH 0.1255 0.25 flunarizine High-priority: Binding assay cinnarizine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to flunarizine (Jaccard=0.25) olanzapine lung_cancer GAP_HIGH 0.1255 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in lung_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine rectum_cancer GAP_HIGH 0.1255 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in rectum_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) dimetindene thymus_cancer GAP_HIGH 0.1255 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) naloxone rheumatoid_arthritis GAP_HIGH 0.1255 0.2222222222222222 carvedilol High-priority: Binding assay naloxone→?; validate in rheumatoid_arthritis cell model. Expected: similar to carvedilol (Jaccard=0.22) sulfanilamide vulva_cancer GAP_HIGH 0.1255 0.21428571428571427 sulfamethizole High-priority: Binding assay sulfanilamide→?; validate in vulva_cancer cell model. Expected: similar to sulfamethizole (Jaccard=0.21) alendronate chronic_kidney_failure GAP_HIGH 0.1255 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in chronic_kidney_failure cell model. Expected: similar to mirtazapine (Jaccard=0.20) l-tryptophan celiac_disease GAP_HIGH 0.1255 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in celiac_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) dienestrol epilepsy_syndrome GAP_HIGH 0.1255 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in epilepsy_syndrome cell model. Expected: similar to mesalazine (Jaccard=0.18) ketazolam salivary_gland_cancer GAP_HIGH 0.1255 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) ospemifene alopecia_areata GAP_HIGH 0.1255 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in alopecia_areata cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) practolol gilles_de_la_tourette_syndrome GAP_HIGH 0.1255 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to midazolam (Jaccard=0.17) colchicine panic_disorder GAP_LOW 0.1255 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs panic_disorder targets. Cross-check colchicine pharmacophore against panic_disorder pathway. colchicine schizophrenia GAP_LOW 0.1255 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs schizophrenia targets. Cross-check colchicine pharmacophore against schizophrenia pathway. metolazone alzheimers_disease GAP_LOW 0.1255 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs alzheimers_disease targets. Cross-check metolazone pharmacophore against alzheimers_disease pathway. metolazone parkinsons_disease GAP_LOW 0.1255 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs parkinsons_disease targets. Cross-check metolazone pharmacophore against parkinsons_disease pathway. midodrine breast_cancer GAP_LOW 0.1255 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs breast_cancer targets. Cross-check midodrine pharmacophore against breast_cancer pathway. midodrine hypertension GAP_LOW 0.1255 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs hypertension targets. Cross-check midodrine pharmacophore against hypertension pathway. tropicamide primary_biliary_cirrhosis GAP_LOW 0.1255 0.125 drospirenone Low-priority: Computational docking tropicamide vs primary_biliary_cirrhosis targets. Cross-check tropicamide pharmacophore against primary_biliary_cirrhosis pathway. vitamin_a esophageal_cancer GAP_LOW 0.1255 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs esophageal_cancer targets. Cross-check vitamin_a pharmacophore against esophageal_cancer pathway. halazepam celiac_disease GAP_LOW 0.1255 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking halazepam vs celiac_disease targets. Cross-check halazepam pharmacophore against celiac_disease pathway. sulpiride ocular_cancer GAP_LOW 0.1255 0.1 sotalol Low-priority: Computational docking sulpiride vs ocular_cancer targets. Cross-check sulpiride pharmacophore against ocular_cancer pathway. glipizide testicular_cancer GAP_LOW 0.1255 0.09090909090909091 aspartame Low-priority: Computational docking glipizide vs testicular_cancer targets. Cross-check glipizide pharmacophore against testicular_cancer pathway. travoprost chronic_kidney_failure GAP_LOW 0.1255 0.08333333333333333 floctafenine Low-priority: Computational docking travoprost vs chronic_kidney_failure targets. Cross-check travoprost pharmacophore against chronic_kidney_failure pathway. tetracycline allergic_rhinitis GAP_LOW 0.1255 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs allergic_rhinitis targets. Cross-check tetracycline pharmacophore against allergic_rhinitis pathway. tetracycline bipolar_disorder GAP_LOW 0.1255 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs bipolar_disorder targets. Cross-check tetracycline pharmacophore against bipolar_disorder pathway. tetracycline stomach_cancer GAP_LOW 0.1255 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs stomach_cancer targets. Cross-check tetracycline pharmacophore against stomach_cancer pathway. vitamin_a gestational_diabetes GAP_LOW 0.1255 0.058823529411764705 gliclazide Low-priority: Computational docking vitamin_a vs gestational_diabetes targets. Cross-check vitamin_a pharmacophore against gestational_diabetes pathway. pyrimethamine lymphatic_system_cancer GAP_LOW 0.1255 0.038461538461538464 glucosamine Low-priority: Computational docking pyrimethamine vs lymphatic_system_cancer targets. Cross-check pyrimethamine pharmacophore against lymphatic_system_cancer pathway. afatinib pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking afatinib vs pagets_disease_of_bone targets. Cross-check afatinib pharmacophore against pagets_disease_of_bone pathway. chlorthalidone pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking chlorthalidone vs pagets_disease_of_bone targets. Cross-check chlorthalidone pharmacophore against pagets_disease_of_bone pathway. crizotinib pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking crizotinib vs pagets_disease_of_bone targets. Cross-check crizotinib pharmacophore against pagets_disease_of_bone pathway. diethylpropion pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking diethylpropion vs pagets_disease_of_bone targets. Cross-check diethylpropion pharmacophore against pagets_disease_of_bone pathway. l-phenylalanine pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking l-phenylalanine vs pagets_disease_of_bone targets. Cross-check l-phenylalanine pharmacophore against pagets_disease_of_bone pathway. orciprenaline pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking orciprenaline vs pagets_disease_of_bone targets. Cross-check orciprenaline pharmacophore against pagets_disease_of_bone pathway. orlistat attention_deficit_hyperactivity_disorder GAP_LOW 0.1255 0.0 flurazepam Low-priority: Computational docking orlistat vs attention_deficit_hyperactivity_disorder targets. Cross-check orlistat pharmacophore against attention_deficit_hyperactivity_disorder pathway. pemetrexed pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking pemetrexed vs pagets_disease_of_bone targets. Cross-check pemetrexed pharmacophore against pagets_disease_of_bone pathway. phenformin pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking phenformin vs pagets_disease_of_bone targets. Cross-check phenformin pharmacophore against pagets_disease_of_bone pathway. telbivudine pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking telbivudine vs pagets_disease_of_bone targets. Cross-check telbivudine pharmacophore against pagets_disease_of_bone pathway. terbutaline pagets_disease_of_bone GAP_LOW 0.1255 0.0 ibandronate Low-priority: Computational docking terbutaline vs pagets_disease_of_bone targets. Cross-check terbutaline pharmacophore against pagets_disease_of_bone pathway. pipotiazine muscle_cancer GAP_HIGH 0.1254 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.44) oxaprozin muscle_cancer GAP_HIGH 0.1254 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) salsalate duodenum_cancer GAP_HIGH 0.1254 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.38) salsalate gallbladder_cancer GAP_HIGH 0.1254 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.38) salsalate melanoma GAP_HIGH 0.1254 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.38) cyclopentolate metabolic_syndrome_x GAP_HIGH 0.1254 0.3333333333333333 reboxetine High-priority: Binding assay cyclopentolate→?; validate in metabolic_syndrome_x cell model. Expected: similar to reboxetine (Jaccard=0.33) oxaprozin gilles_de_la_tourette_syndrome GAP_HIGH 0.1254 0.3333333333333333 loxapine High-priority: Binding assay oxaprozin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.33) propafenone vaginal_cancer GAP_HIGH 0.1254 0.3333333333333333 tamsulosin High-priority: Binding assay propafenone→?; validate in vaginal_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.33) oxcarbazepine thyroid_cancer GAP_HIGH 0.1254 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in thyroid_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) cyclizine thymus_cancer GAP_HIGH 0.1254 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) vismodegib atopic_dermatitis GAP_HIGH 0.1254 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in atopic_dermatitis cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) vismodegib hypertension GAP_HIGH 0.1254 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in hypertension cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) azatadine mediastinal_cancer GAP_HIGH 0.1254 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in mediastinal_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) azatadine primary_biliary_cirrhosis GAP_HIGH 0.1254 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to raloxifene (Jaccard=0.30) atropine meningioma GAP_HIGH 0.1254 0.25 alclometasone High-priority: Binding assay atropine→?; validate in meningioma cell model. Expected: similar to alclometasone (Jaccard=0.25) lidocaine pharynx_cancer GAP_HIGH 0.1254 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in pharynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) acenocoumarol malignant_mesothelioma GAP_HIGH 0.1254 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.22) cladribine polycystic_ovary_syndrome GAP_HIGH 0.1254 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.22) tolterodine malaria GAP_HIGH 0.1254 0.21428571428571427 warfarin High-priority: Binding assay tolterodine→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.21) ethylmorphine sclerosing_cholangitis GAP_HIGH 0.1254 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in sclerosing_cholangitis cell model. Expected: similar to isopropamide (Jaccard=0.21) conjugated_estrogens epilepsy_syndrome GAP_HIGH 0.1254 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in epilepsy_syndrome cell model. Expected: similar to bifonazole (Jaccard=0.20) nandrolone_phenpropionate conduct_disorder GAP_HIGH 0.1254 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in conduct_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.20) nandrolone_phenpropionate panic_disorder GAP_HIGH 0.1254 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in panic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.20) alprazolam prostate_cancer GAP_HIGH 0.1254 0.19047619047619047 mazindol High-priority: Binding assay alprazolam→?; validate in prostate_cancer cell model. Expected: similar to mazindol (Jaccard=0.19) thalidomide kidney_cancer GAP_HIGH 0.1254 0.18181818181818182 methotrexate High-priority: Binding assay thalidomide→?; validate in kidney_cancer cell model. Expected: similar to methotrexate (Jaccard=0.18) proparacaine ankylosing_spondylitis GAP_HIGH 0.1254 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.18) ephedrine thyroid_cancer GAP_HIGH 0.1254 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in thyroid_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.17) phenylephrine focal_segmental_glomerulosclerosis GAP_HIGH 0.1254 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to ethopropazine (Jaccard=0.16) colchicine asthma GAP_LOW 0.1254 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs asthma targets. Cross-check colchicine pharmacophore against asthma pathway. colchicine atopic_dermatitis GAP_LOW 0.1254 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs atopic_dermatitis targets. Cross-check colchicine pharmacophore against atopic_dermatitis pathway. colchicine colon_cancer GAP_LOW 0.1254 0.14285714285714285 cyproheptadine Low-priority: Computational docking colchicine vs colon_cancer targets. Cross-check colchicine pharmacophore against colon_cancer pathway. colchicine conduct_disorder GAP_LOW 0.1254 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs conduct_disorder targets. Cross-check colchicine pharmacophore against conduct_disorder pathway. metolazone autistic_disorder GAP_LOW 0.1254 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs autistic_disorder targets. Cross-check metolazone pharmacophore against autistic_disorder pathway. midodrine bipolar_disorder GAP_LOW 0.1254 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs bipolar_disorder targets. Cross-check midodrine pharmacophore against bipolar_disorder pathway. midodrine pancreatic_cancer GAP_LOW 0.1254 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs pancreatic_cancer targets. Cross-check midodrine pharmacophore against pancreatic_cancer pathway. prazepam prostate_cancer GAP_LOW 0.1254 0.125 mazindol Low-priority: Computational docking prazepam vs prostate_cancer targets. Cross-check prazepam pharmacophore against prostate_cancer pathway. latanoprost coronary_artery_disease GAP_LOW 0.1254 0.1111111111111111 suprofen Low-priority: Computational docking latanoprost vs coronary_artery_disease targets. Cross-check latanoprost pharmacophore against coronary_artery_disease pathway. latanoprost narcolepsy GAP_LOW 0.1254 0.1111111111111111 suprofen Low-priority: Computational docking latanoprost vs narcolepsy targets. Cross-check latanoprost pharmacophore against narcolepsy pathway. glisoxepide testicular_cancer GAP_LOW 0.1254 0.08333333333333333 aspartame Low-priority: Computational docking glisoxepide vs testicular_cancer targets. Cross-check glisoxepide pharmacophore against testicular_cancer pathway. nimodipine glaucoma GAP_LOW 0.1254 0.07142857142857142 propranolol Low-priority: Computational docking nimodipine vs glaucoma targets. Cross-check nimodipine pharmacophore against glaucoma pathway. calcium_acetate skin_cancer GAP_LOW 0.1254 0.06666666666666667 floctafenine Low-priority: Computational docking calcium_acetate vs skin_cancer targets. Cross-check calcium_acetate pharmacophore against skin_cancer pathway. l-ornithine head_and_neck_cancer GAP_LOW 0.1254 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs head_and_neck_cancer targets. Cross-check l-ornithine pharmacophore against head_and_neck_cancer pathway. l-ornithine malignant_glioma GAP_LOW 0.1254 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs malignant_glioma targets. Cross-check l-ornithine pharmacophore against malignant_glioma pathway. tetracycline endogenous_depression GAP_LOW 0.1254 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs endogenous_depression targets. Cross-check tetracycline pharmacophore against endogenous_depression pathway. tetracycline pancreatic_cancer GAP_LOW 0.1254 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs pancreatic_cancer targets. Cross-check tetracycline pharmacophore against pancreatic_cancer pathway. tetracycline ulcerative_colitis GAP_LOW 0.1254 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs ulcerative_colitis targets. Cross-check tetracycline pharmacophore against ulcerative_colitis pathway. tetracycline pharynx_cancer GAP_LOW 0.1254 0.05 clonidine Low-priority: Computational docking tetracycline vs pharynx_cancer targets. Cross-check tetracycline pharmacophore against pharynx_cancer pathway. terlipressin dilated_cardiomyopathy GAP_LOW 0.1254 0.04 testosterone_propionate Low-priority: Computational docking terlipressin vs dilated_cardiomyopathy targets. Cross-check terlipressin pharmacophore against dilated_cardiomyopathy pathway. latanoprost gestational_diabetes GAP_LOW 0.1254 0.034482758620689655 bezafibrate Low-priority: Computational docking latanoprost vs gestational_diabetes targets. Cross-check latanoprost pharmacophore against gestational_diabetes pathway. aminoglutethimide lymphatic_system_cancer GAP_LOW 0.1254 0.0 vinblastine Low-priority: Computational docking aminoglutethimide vs lymphatic_system_cancer targets. Cross-check aminoglutethimide pharmacophore against lymphatic_system_cancer pathway. calcium_acetate dilated_cardiomyopathy GAP_LOW 0.1254 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs dilated_cardiomyopathy targets. Cross-check calcium_acetate pharmacophore against dilated_cardiomyopathy pathway. glutethimide lymphatic_system_cancer GAP_LOW 0.1254 0.0 vinblastine Low-priority: Computational docking glutethimide vs lymphatic_system_cancer targets. Cross-check glutethimide pharmacophore against lymphatic_system_cancer pathway. lercanidipine dilated_cardiomyopathy GAP_LOW 0.1254 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs dilated_cardiomyopathy targets. Cross-check lercanidipine pharmacophore against dilated_cardiomyopathy pathway. methylphenobarbital lymphatic_system_cancer GAP_LOW 0.1254 0.0 vinblastine Low-priority: Computational docking methylphenobarbital vs lymphatic_system_cancer targets. Cross-check methylphenobarbital pharmacophore against lymphatic_system_cancer pathway. nimodipine dilated_cardiomyopathy GAP_LOW 0.1254 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs dilated_cardiomyopathy targets. Cross-check nimodipine pharmacophore against dilated_cardiomyopathy pathway. valsartan atherosclerosis GAP_LOW 0.1254 0.0 fenoprofen Low-priority: Computational docking valsartan vs atherosclerosis targets. Cross-check valsartan pharmacophore against atherosclerosis pathway. pipotiazine skin_cancer GAP_HIGH 0.1253 0.45454545454545453 thiothixene High-priority: Binding assay pipotiazine→?; validate in skin_cancer cell model. Expected: similar to thiothixene (Jaccard=0.45) drospirenone amyotrophic_lateral_sclerosis GAP_HIGH 0.1253 0.42857142857142855 fludrocortisone High-priority: Binding assay drospirenone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.43) doxepin duodenum_cancer GAP_HIGH 0.1253 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in duodenum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) doxepin gallbladder_cancer GAP_HIGH 0.1253 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in gallbladder_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) carbidopa urinary_bladder_cancer GAP_HIGH 0.1253 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.35) propafenone vascular_cancer GAP_HIGH 0.1253 0.3333333333333333 tamsulosin High-priority: Binding assay propafenone→?; validate in vascular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.33) mazindol malaria GAP_HIGH 0.1253 0.3076923076923077 butabarbital High-priority: Binding assay mazindol→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.31) phentermine sclerosing_cholangitis GAP_HIGH 0.1253 0.30434782608695654 phenacemide High-priority: Binding assay phentermine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.30) azatadine thymus_cancer GAP_HIGH 0.1253 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in thymus_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) mitiglinide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1253 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) methadyl_acetate ocular_cancer GAP_HIGH 0.1253 0.2608695652173913 methadone High-priority: Binding assay methadyl_acetate→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.26) oxazepam mediastinal_cancer GAP_HIGH 0.1253 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) estazolam uterine_fibroid GAP_HIGH 0.1253 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in uterine_fibroid cell model. Expected: similar to clomipramine (Jaccard=0.25) olanzapine liver_cancer GAP_HIGH 0.1253 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in liver_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) lapatinib narcolepsy GAP_HIGH 0.1253 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in narcolepsy cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) cladribine vitiligo GAP_HIGH 0.1253 0.2222222222222222 lamivudine High-priority: Binding assay cladribine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.22) indapamide vaginal_cancer GAP_HIGH 0.1253 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in vaginal_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.22) aprindine acquired_immunodeficiency_syndrome GAP_HIGH 0.1253 0.2 alvimopan High-priority: Binding assay aprindine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.20) droperidol coronary_artery_disease GAP_HIGH 0.1253 0.2 nefazodone High-priority: Binding assay droperidol→?; validate in coronary_artery_disease cell model. Expected: similar to nefazodone (Jaccard=0.20) phenmetrazine mediastinal_cancer GAP_HIGH 0.1253 0.2 warfarin High-priority: Binding assay phenmetrazine→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) ponatinib chronic_obstructive_pulmonary_disease GAP_HIGH 0.1253 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to meclizine (Jaccard=0.20) tamsulosin germ_cell_cancer GAP_HIGH 0.1253 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) arformoterol nicotine_dependence GAP_HIGH 0.1253 0.16666666666666666 lisdexamfetamine High-priority: Binding assay arformoterol→?; validate in nicotine_dependence cell model. Expected: similar to lisdexamfetamine (Jaccard=0.17) dapsone germ_cell_cancer GAP_HIGH 0.1253 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) phenylephrine gilles_de_la_tourette_syndrome GAP_HIGH 0.1253 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to ethopropazine (Jaccard=0.16) hydrochlorothiazide systemic_lupus_erythematosus GAP_LOW 0.1253 0.15 tamsulosin Low-priority: Computational docking hydrochlorothiazide vs systemic_lupus_erythematosus targets. Cross-check hydrochlorothiazide pharmacophore against systemic_lupus_erythematosus pathway. colchicine allergic_rhinitis GAP_LOW 0.1253 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs allergic_rhinitis targets. Cross-check colchicine pharmacophore against allergic_rhinitis pathway. colchicine bipolar_disorder GAP_LOW 0.1253 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs bipolar_disorder targets. Cross-check colchicine pharmacophore against bipolar_disorder pathway. midodrine endogenous_depression GAP_LOW 0.1253 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs endogenous_depression targets. Cross-check midodrine pharmacophore against endogenous_depression pathway. ceruletide asthma GAP_LOW 0.1253 0.125 stanozolol Low-priority: Computational docking ceruletide vs asthma targets. Cross-check ceruletide pharmacophore against asthma pathway. travoprost muscle_cancer GAP_LOW 0.1253 0.1 prednicarbate Low-priority: Computational docking travoprost vs muscle_cancer targets. Cross-check travoprost pharmacophore against muscle_cancer pathway. isradipine refractive_error GAP_LOW 0.1253 0.07142857142857142 propranolol Low-priority: Computational docking isradipine vs refractive_error targets. Cross-check isradipine pharmacophore against refractive_error pathway. calcium_acetate testicular_cancer GAP_LOW 0.1253 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs testicular_cancer targets. Cross-check calcium_acetate pharmacophore against testicular_cancer pathway. calcium_acetate vaginal_cancer GAP_LOW 0.1253 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs vaginal_cancer targets. Cross-check calcium_acetate pharmacophore against vaginal_cancer pathway. calcium_acetate vulva_cancer GAP_LOW 0.1253 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs vulva_cancer targets. Cross-check calcium_acetate pharmacophore against vulva_cancer pathway. glisoxepide mediastinal_cancer GAP_LOW 0.1253 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs mediastinal_cancer targets. Cross-check glisoxepide pharmacophore against mediastinal_cancer pathway. terlipressin atherosclerosis GAP_LOW 0.1253 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs atherosclerosis targets. Cross-check terlipressin pharmacophore against atherosclerosis pathway. l-ornithine kidney_cancer GAP_LOW 0.1253 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs kidney_cancer targets. Cross-check l-ornithine pharmacophore against kidney_cancer pathway. l-ornithine nephrolithiasis GAP_LOW 0.1253 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs nephrolithiasis targets. Cross-check l-ornithine pharmacophore against nephrolithiasis pathway. tetracycline migraine GAP_LOW 0.1253 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs migraine targets. Cross-check tetracycline pharmacophore against migraine pathway. tetracycline ovarian_cancer GAP_LOW 0.1253 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs ovarian_cancer targets. Cross-check tetracycline pharmacophore against ovarian_cancer pathway. nisoldipine hepatitis_b GAP_LOW 0.1253 0.05555555555555555 nateglinide Low-priority: Computational docking nisoldipine vs hepatitis_b targets. Cross-check nisoldipine pharmacophore against hepatitis_b pathway. methsuximide gestational_diabetes GAP_LOW 0.1253 0.029411764705882353 bezafibrate Low-priority: Computational docking methsuximide vs gestational_diabetes targets. Cross-check methsuximide pharmacophore against gestational_diabetes pathway. aminophenazone larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking aminophenazone vs larynx_cancer targets. Cross-check aminophenazone pharmacophore against larynx_cancer pathway. methohexital larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking methohexital vs larynx_cancer targets. Cross-check methohexital pharmacophore against larynx_cancer pathway. orlistat panic_disorder GAP_LOW 0.1253 0.0 flurazepam Low-priority: Computational docking orlistat vs panic_disorder targets. Cross-check orlistat pharmacophore against panic_disorder pathway. phenobarbital larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking phenobarbital vs larynx_cancer targets. Cross-check phenobarbital pharmacophore against larynx_cancer pathway. quazepam larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking quazepam vs larynx_cancer targets. Cross-check quazepam pharmacophore against larynx_cancer pathway. tetracycline larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking tetracycline vs larynx_cancer targets. Cross-check tetracycline pharmacophore against larynx_cancer pathway. thiamylal larynx_cancer GAP_LOW 0.1253 0.0 vinblastine Low-priority: Computational docking thiamylal vs larynx_cancer targets. Cross-check thiamylal pharmacophore against larynx_cancer pathway. fentanyl idiopathic_pulmonary_fibrosis GAP_HIGH 0.1252 0.4090909090909091 ifenprodil High-priority: Binding assay fentanyl→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.41) dimetacrine meningioma GAP_HIGH 0.1252 0.4074074074074074 methadone High-priority: Binding assay dimetacrine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.41) methotrimeprazine sarcoma GAP_HIGH 0.1252 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.39) oxcarbazepine membranous_glomerulonephritis GAP_HIGH 0.1252 0.2857142857142857 chlorpromazine High-priority: Binding assay oxcarbazepine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorpromazine (Jaccard=0.29) oxazepam thymus_cancer GAP_HIGH 0.1252 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) butenafine peripheral_nervous_system_neoplasm GAP_HIGH 0.1252 0.25 propranolol High-priority: Binding assay butenafine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.25) butenafine urinary_bladder_cancer GAP_HIGH 0.1252 0.25 propranolol High-priority: Binding assay butenafine→?; validate in urinary_bladder_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) diethylpropion pancreatic_cancer GAP_HIGH 0.1252 0.25 aminoglutethimide High-priority: Binding assay diethylpropion→?; validate in pancreatic_cancer cell model. Expected: similar to aminoglutethimide (Jaccard=0.25) midazolam focal_segmental_glomerulosclerosis GAP_HIGH 0.1252 0.25 chlorthalidone High-priority: Binding assay midazolam→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorthalidone (Jaccard=0.25) indapamide testicular_cancer GAP_HIGH 0.1252 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in testicular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.22) sotalol chronic_kidney_failure GAP_HIGH 0.1252 0.21052631578947367 fenoprofen High-priority: Binding assay sotalol→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.21) nandrolone_phenpropionate bipolar_disorder GAP_HIGH 0.1252 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in bipolar_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.20) phenmetrazine thymus_cancer GAP_HIGH 0.1252 0.2 warfarin High-priority: Binding assay phenmetrazine→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) ponatinib epilepsy_syndrome GAP_HIGH 0.1252 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in epilepsy_syndrome cell model. Expected: similar to meclizine (Jaccard=0.20) dienestrol salivary_gland_cancer GAP_HIGH 0.1252 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in salivary_gland_cancer cell model. Expected: similar to mesalazine (Jaccard=0.18) ketazolam ocular_cancer GAP_HIGH 0.1252 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) alfacalcidol creutzfeldt-jakob_disease GAP_HIGH 0.1252 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol alzheimers_disease GAP_HIGH 0.1252 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in alzheimers_disease cell model. Expected: similar to pimozide (Jaccard=0.17) entecavir gout GAP_HIGH 0.1252 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.17) agomelatine germ_cell_cancer GAP_HIGH 0.1252 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) colchicine endogenous_depression GAP_LOW 0.1252 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs endogenous_depression targets. Cross-check colchicine pharmacophore against endogenous_depression pathway. etidronic_acid celiac_disease GAP_LOW 0.1252 0.14285714285714285 dapsone Low-priority: Computational docking etidronic_acid vs celiac_disease targets. Cross-check etidronic_acid pharmacophore against celiac_disease pathway. midodrine multiple_sclerosis GAP_LOW 0.1252 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs multiple_sclerosis targets. Cross-check midodrine pharmacophore against multiple_sclerosis pathway. aminocaproic_acid panic_disorder GAP_LOW 0.1252 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs panic_disorder targets. Cross-check aminocaproic_acid pharmacophore against panic_disorder pathway. aminocaproic_acid schizophrenia GAP_LOW 0.1252 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs schizophrenia targets. Cross-check aminocaproic_acid pharmacophore against schizophrenia pathway. travoprost lung_cancer GAP_LOW 0.1252 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs lung_cancer targets. Cross-check travoprost pharmacophore against lung_cancer pathway. travoprost rectum_cancer GAP_LOW 0.1252 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs rectum_cancer targets. Cross-check travoprost pharmacophore against rectum_cancer pathway. furosemide gestational_diabetes GAP_LOW 0.1252 0.09090909090909091 glimepiride Low-priority: Computational docking furosemide vs gestational_diabetes targets. Cross-check furosemide pharmacophore against gestational_diabetes pathway. benzthiazide creutzfeldt-jakob_disease GAP_LOW 0.1252 0.08571428571428572 fenoprofen Low-priority: Computational docking benzthiazide vs creutzfeldt-jakob_disease targets. Cross-check benzthiazide pharmacophore against creutzfeldt-jakob_disease pathway. l-ornithine thyroid_cancer GAP_LOW 0.1252 0.08333333333333333 dextrothyroxine Low-priority: Computational docking l-ornithine vs thyroid_cancer targets. Cross-check l-ornithine pharmacophore against thyroid_cancer pathway. glisoxepide alzheimers_disease GAP_LOW 0.1252 0.07692307692307693 nitrazepam Low-priority: Computational docking glisoxepide vs alzheimers_disease targets. Cross-check glisoxepide pharmacophore against alzheimers_disease pathway. glisoxepide parkinsons_disease GAP_LOW 0.1252 0.07692307692307693 nitrazepam Low-priority: Computational docking glisoxepide vs parkinsons_disease targets. Cross-check glisoxepide pharmacophore against parkinsons_disease pathway. calcium_acetate vascular_cancer GAP_LOW 0.1252 0.06666666666666667 liothyronine Low-priority: Computational docking calcium_acetate vs vascular_cancer targets. Cross-check calcium_acetate pharmacophore against vascular_cancer pathway. glisoxepide thymus_cancer GAP_LOW 0.1252 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs thymus_cancer targets. Cross-check glisoxepide pharmacophore against thymus_cancer pathway. irbesartan amyotrophic_lateral_sclerosis GAP_LOW 0.1252 0.0625 masoprocol Low-priority: Computational docking irbesartan vs amyotrophic_lateral_sclerosis targets. Cross-check irbesartan pharmacophore against amyotrophic_lateral_sclerosis pathway. tetracycline sarcoma GAP_LOW 0.1252 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs sarcoma targets. Cross-check tetracycline pharmacophore against sarcoma pathway. tetracycline thyroid_cancer GAP_LOW 0.1252 0.05 clonidine Low-priority: Computational docking tetracycline vs thyroid_cancer targets. Cross-check tetracycline pharmacophore against thyroid_cancer pathway. atenolol leprosy GAP_LOW 0.1252 0.037037037037037035 sulfapyridine Low-priority: Computational docking atenolol vs leprosy targets. Cross-check atenolol pharmacophore against leprosy pathway. glutethimide malignant_glioma GAP_LOW 0.1252 0.037037037037037035 fluticasone_propionate Low-priority: Computational docking glutethimide vs malignant_glioma targets. Cross-check glutethimide pharmacophore against malignant_glioma pathway. acetophenazine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking acetophenazine vs hypothyroidism targets. Cross-check acetophenazine pharmacophore against hypothyroidism pathway. alvimopan hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking alvimopan vs hypothyroidism targets. Cross-check alvimopan pharmacophore against hypothyroidism pathway. butenafine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking butenafine vs hypothyroidism targets. Cross-check butenafine pharmacophore against hypothyroidism pathway. dexamethasone hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking dexamethasone vs hypothyroidism targets. Cross-check dexamethasone pharmacophore against hypothyroidism pathway. doxepin hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking doxepin vs hypothyroidism targets. Cross-check doxepin pharmacophore against hypothyroidism pathway. l-histidine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking l-histidine vs hypothyroidism targets. Cross-check l-histidine pharmacophore against hypothyroidism pathway. lamivudine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking lamivudine vs hypothyroidism targets. Cross-check lamivudine pharmacophore against hypothyroidism pathway. orlistat asthma GAP_LOW 0.1252 0.0 cinolazepam Low-priority: Computational docking orlistat vs asthma targets. Cross-check orlistat pharmacophore against asthma pathway. orlistat atopic_dermatitis GAP_LOW 0.1252 0.0 cinolazepam Low-priority: Computational docking orlistat vs atopic_dermatitis targets. Cross-check orlistat pharmacophore against atopic_dermatitis pathway. orlistat breast_cancer GAP_LOW 0.1252 0.0 flurazepam Low-priority: Computational docking orlistat vs breast_cancer targets. Cross-check orlistat pharmacophore against breast_cancer pathway. orlistat colon_cancer GAP_LOW 0.1252 0.0 flurazepam Low-priority: Computational docking orlistat vs colon_cancer targets. Cross-check orlistat pharmacophore against colon_cancer pathway. orlistat conduct_disorder GAP_LOW 0.1252 0.0 flurazepam Low-priority: Computational docking orlistat vs conduct_disorder targets. Cross-check orlistat pharmacophore against conduct_disorder pathway. orlistat schizophrenia GAP_LOW 0.1252 0.0 flurazepam Low-priority: Computational docking orlistat vs schizophrenia targets. Cross-check orlistat pharmacophore against schizophrenia pathway. phenylpropanolamine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking phenylpropanolamine vs hypothyroidism targets. Cross-check phenylpropanolamine pharmacophore against hypothyroidism pathway. propofol meningioma GAP_LOW 0.1252 0.0 hydrocortisone Low-priority: Computational docking propofol vs meningioma targets. Cross-check propofol pharmacophore against meningioma pathway. pseudoephedrine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking pseudoephedrine vs hypothyroidism targets. Cross-check pseudoephedrine pharmacophore against hypothyroidism pathway. vinblastine hypothyroidism GAP_LOW 0.1252 0.0 methimazole Low-priority: Computational docking vinblastine vs hypothyroidism targets. Cross-check vinblastine pharmacophore against hypothyroidism pathway. isopropamide uterine_cancer GAP_HIGH 0.1251 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) oxcarbazepine pancreatitis GAP_HIGH 0.1251 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in pancreatitis cell model. Expected: similar to phenylbutazone (Jaccard=0.31) bevantolol creutzfeldt-jakob_disease GAP_HIGH 0.1251 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to propafenone (Jaccard=0.31) indapamide vascular_cancer GAP_HIGH 0.1251 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in vascular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.22) afatinib larynx_cancer GAP_HIGH 0.1251 0.21428571428571427 docetaxel High-priority: Binding assay afatinib→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.21) difenoxin duodenum_cancer GAP_HIGH 0.1251 0.20833333333333334 naftifine High-priority: Binding assay difenoxin→?; validate in duodenum_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) difenoxin gallbladder_cancer GAP_HIGH 0.1251 0.20833333333333334 naftifine High-priority: Binding assay difenoxin→?; validate in gallbladder_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) nandrolone_phenpropionate endogenous_depression GAP_HIGH 0.1251 0.2 dextromethorphan High-priority: Binding assay nandrolone_phenpropionate→?; validate in endogenous_depression cell model. Expected: similar to dextromethorphan (Jaccard=0.20) selegiline head_and_neck_cancer GAP_HIGH 0.1251 0.2 topotecan High-priority: Binding assay selegiline→?; validate in head_and_neck_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) selegiline malignant_glioma GAP_HIGH 0.1251 0.2 topotecan High-priority: Binding assay selegiline→?; validate in malignant_glioma cell model. Expected: similar to topotecan (Jaccard=0.20) indomethacin hematologic_cancer GAP_HIGH 0.1251 0.18181818181818182 pomalidomide High-priority: Binding assay indomethacin→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.18) calcidiol autistic_disorder GAP_HIGH 0.1251 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in autistic_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol nicotine_dependence GAP_HIGH 0.1251 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in nicotine_dependence cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol parkinsons_disease GAP_HIGH 0.1251 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in parkinsons_disease cell model. Expected: similar to pimozide (Jaccard=0.17) dipivefrin azoospermia GAP_HIGH 0.1251 0.16666666666666666 indecainide High-priority: Binding assay dipivefrin→?; validate in azoospermia cell model. Expected: similar to indecainide (Jaccard=0.17) lenalidomide glaucoma GAP_HIGH 0.1251 0.16666666666666666 pirbuterol High-priority: Binding assay lenalidomide→?; validate in glaucoma cell model. Expected: similar to pirbuterol (Jaccard=0.17) ritodrine membranous_glomerulonephritis GAP_LOW 0.1251 0.15 tamsulosin Low-priority: Computational docking ritodrine vs membranous_glomerulonephritis targets. Cross-check ritodrine pharmacophore against membranous_glomerulonephritis pathway. anisindione melanoma GAP_LOW 0.1251 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs melanoma targets. Cross-check anisindione pharmacophore against melanoma pathway. colchicine multiple_sclerosis GAP_LOW 0.1251 0.14285714285714285 alcaftadine Low-priority: Computational docking colchicine vs multiple_sclerosis targets. Cross-check colchicine pharmacophore against multiple_sclerosis pathway. tolbutamide thyroid_cancer GAP_LOW 0.1251 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs thyroid_cancer targets. Cross-check tolbutamide pharmacophore against thyroid_cancer pathway. choline narcolepsy GAP_LOW 0.1251 0.125 l-tryptophan Low-priority: Computational docking choline vs narcolepsy targets. Cross-check choline pharmacophore against narcolepsy pathway. colchicine crohns_disease GAP_LOW 0.1251 0.125 raloxifene Low-priority: Computational docking colchicine vs crohns_disease targets. Cross-check colchicine pharmacophore against crohns_disease pathway. oxcarbazepine leprosy GAP_LOW 0.1251 0.12195121951219512 phensuximide Low-priority: Computational docking oxcarbazepine vs leprosy targets. Cross-check oxcarbazepine pharmacophore against leprosy pathway. aminocaproic_acid atopic_dermatitis GAP_LOW 0.1251 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs atopic_dermatitis targets. Cross-check aminocaproic_acid pharmacophore against atopic_dermatitis pathway. moexipril gilles_de_la_tourette_syndrome GAP_LOW 0.1251 0.1111111111111111 alvimopan Low-priority: Computational docking moexipril vs gilles_de_la_tourette_syndrome targets. Cross-check moexipril pharmacophore against gilles_de_la_tourette_syndrome pathway. captopril psoriasis GAP_LOW 0.1251 0.1 sorafenib Low-priority: Computational docking captopril vs psoriasis targets. Cross-check captopril pharmacophore against psoriasis pathway. l-aspartic_acid crohns_disease GAP_LOW 0.1251 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs crohns_disease targets. Cross-check l-aspartic_acid pharmacophore against crohns_disease pathway. carvedilol creutzfeldt-jakob_disease GAP_LOW 0.1251 0.08695652173913043 pseudoephedrine Low-priority: Computational docking carvedilol vs creutzfeldt-jakob_disease targets. Cross-check carvedilol pharmacophore against creutzfeldt-jakob_disease pathway. glisoxepide amyotrophic_lateral_sclerosis GAP_LOW 0.1251 0.07692307692307693 nitrazepam Low-priority: Computational docking glisoxepide vs amyotrophic_lateral_sclerosis targets. Cross-check glisoxepide pharmacophore against amyotrophic_lateral_sclerosis pathway. nilotinib alcohol_dependence GAP_LOW 0.1251 0.07142857142857142 naloxone Low-priority: Computational docking nilotinib vs alcohol_dependence targets. Cross-check nilotinib pharmacophore against alcohol_dependence pathway. papaverine type_1_diabetes_mellitus GAP_LOW 0.1251 0.0625 lisinopril Low-priority: Computational docking papaverine vs type_1_diabetes_mellitus targets. Cross-check papaverine pharmacophore against type_1_diabetes_mellitus pathway. lubiprostone narcolepsy GAP_LOW 0.1251 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs narcolepsy targets. Cross-check lubiprostone pharmacophore against narcolepsy pathway. orlistat allergic_rhinitis GAP_LOW 0.1251 0.0 flurazepam Low-priority: Computational docking orlistat vs allergic_rhinitis targets. Cross-check orlistat pharmacophore against allergic_rhinitis pathway. orlistat bipolar_disorder GAP_LOW 0.1251 0.0 flurazepam Low-priority: Computational docking orlistat vs bipolar_disorder targets. Cross-check orlistat pharmacophore against bipolar_disorder pathway. orlistat hypertension GAP_LOW 0.1251 0.0 hydrocortisone Low-priority: Computational docking orlistat vs hypertension targets. Cross-check orlistat pharmacophore against hypertension pathway. orlistat stomach_cancer GAP_LOW 0.1251 0.0 hydrocortisone Low-priority: Computational docking orlistat vs stomach_cancer targets. Cross-check orlistat pharmacophore against stomach_cancer pathway. carbidopa panic_disorder GAP_HIGH 0.125 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.35) carbidopa schizophrenia GAP_HIGH 0.125 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.35) propafenone uterine_fibroid GAP_HIGH 0.125 0.3333333333333333 tamsulosin High-priority: Binding assay propafenone→?; validate in uterine_fibroid cell model. Expected: similar to tamsulosin (Jaccard=0.33) temazepam malignant_mesothelioma GAP_HIGH 0.125 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) oxcarbazepine salivary_gland_cancer GAP_HIGH 0.125 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) mitiglinide gout GAP_HIGH 0.125 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in gout cell model. Expected: similar to methylphenidate (Jaccard=0.29) chlordiazepoxide malaria GAP_HIGH 0.125 0.28 butabarbital High-priority: Binding assay chlordiazepoxide→?; validate in malaria cell model. Expected: similar to butabarbital (Jaccard=0.28) drostanolone pharynx_cancer GAP_HIGH 0.125 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) methamphetamine hepatitis_b GAP_HIGH 0.125 0.23076923076923078 mitiglinide High-priority: Binding assay methamphetamine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.23) mepyramine thyroid_cancer GAP_HIGH 0.125 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) ethylmorphine ankylosing_spondylitis GAP_HIGH 0.125 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in ankylosing_spondylitis cell model. Expected: similar to isopropamide (Jaccard=0.21) imatinib penile_cancer GAP_HIGH 0.125 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in penile_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) diclofenac malaria GAP_HIGH 0.125 0.2 aminoglutethimide High-priority: Binding assay diclofenac→?; validate in malaria cell model. Expected: similar to aminoglutethimide (Jaccard=0.20) selegiline kidney_cancer GAP_HIGH 0.125 0.2 benzocaine High-priority: Binding assay selegiline→?; validate in kidney_cancer cell model. Expected: similar to benzocaine (Jaccard=0.20) pirbuterol pancreatitis GAP_HIGH 0.125 0.1875 methyldopa High-priority: Binding assay pirbuterol→?; validate in pancreatitis cell model. Expected: similar to methyldopa (Jaccard=0.19) antipyrine salivary_gland_cancer GAP_HIGH 0.125 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) dienestrol ocular_cancer GAP_HIGH 0.125 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in ocular_cancer cell model. Expected: similar to estrone (Jaccard=0.18) ephedrine stomach_cancer GAP_HIGH 0.125 0.17647058823529413 oxaprozin High-priority: Binding assay ephedrine→?; validate in stomach_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.18) calcidiol amyotrophic_lateral_sclerosis GAP_HIGH 0.125 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pimozide (Jaccard=0.17) conjugated_estrogens head_and_neck_cancer GAP_HIGH 0.125 0.16666666666666666 loteprednol High-priority: Binding assay conjugated_estrogens→?; validate in head_and_neck_cancer cell model. Expected: similar to loteprednol (Jaccard=0.17) pomalidomide type_1_diabetes_mellitus GAP_HIGH 0.125 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to olsalazine (Jaccard=0.17) ponatinib glaucoma GAP_HIGH 0.125 0.15151515151515152 polythiazide High-priority: Binding assay ponatinib→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.15) tenofovir polycystic_ovary_syndrome GAP_LOW 0.125 0.14285714285714285 pitavastatin Low-priority: Computational docking tenofovir vs polycystic_ovary_syndrome targets. Cross-check tenofovir pharmacophore against polycystic_ovary_syndrome pathway. tenofovir type_2_diabetes_mellitus GAP_LOW 0.125 0.14285714285714285 pitavastatin Low-priority: Computational docking tenofovir vs type_2_diabetes_mellitus targets. Cross-check tenofovir pharmacophore against type_2_diabetes_mellitus pathway. tenofovir vitiligo GAP_LOW 0.125 0.14285714285714285 stavudine Low-priority: Computational docking tenofovir vs vitiligo targets. Cross-check tenofovir pharmacophore against vitiligo pathway. gliclazide nephrolithiasis GAP_LOW 0.125 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs nephrolithiasis targets. Cross-check gliclazide pharmacophore against nephrolithiasis pathway. ceruletide osteoporosis GAP_LOW 0.125 0.125 stanozolol Low-priority: Computational docking ceruletide vs osteoporosis targets. Cross-check ceruletide pharmacophore against osteoporosis pathway. vorinostat celiac_disease GAP_LOW 0.125 0.10526315789473684 progesterone Low-priority: Computational docking vorinostat vs celiac_disease targets. Cross-check vorinostat pharmacophore against celiac_disease pathway. travoprost liver_cancer GAP_LOW 0.125 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs liver_cancer targets. Cross-check travoprost pharmacophore against liver_cancer pathway. candesartan colon_cancer GAP_LOW 0.125 0.07692307692307693 isoprenaline Low-priority: Computational docking candesartan vs colon_cancer targets. Cross-check candesartan pharmacophore against colon_cancer pathway. methohexital pharynx_cancer GAP_LOW 0.125 0.037037037037037035 lacosamide Low-priority: Computational docking methohexital vs pharynx_cancer targets. Cross-check methohexital pharmacophore against pharynx_cancer pathway. orlistat endogenous_depression GAP_LOW 0.125 0.0 flurazepam Low-priority: Computational docking orlistat vs endogenous_depression targets. Cross-check orlistat pharmacophore against endogenous_depression pathway. orlistat pancreatic_cancer GAP_LOW 0.125 0.0 hydrocortisone Low-priority: Computational docking orlistat vs pancreatic_cancer targets. Cross-check orlistat pharmacophore against pancreatic_cancer pathway. orlistat ulcerative_colitis GAP_LOW 0.125 0.0 loxapine Low-priority: Computational docking orlistat vs ulcerative_colitis targets. Cross-check orlistat pharmacophore against ulcerative_colitis pathway. pipotiazine urinary_bladder_cancer GAP_HIGH 0.1249 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.44) zuclopenthixol sclerosing_cholangitis GAP_HIGH 0.1249 0.3888888888888889 temazepam High-priority: Binding assay zuclopenthixol→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.39) oxaprozin urinary_bladder_cancer GAP_HIGH 0.1249 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.38) atomoxetine gout GAP_HIGH 0.1249 0.36363636363636365 amitriptyline High-priority: Binding assay atomoxetine→?; validate in gout cell model. Expected: similar to amitriptyline (Jaccard=0.36) atomoxetine primary_biliary_cirrhosis GAP_HIGH 0.1249 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.36) testosterone_propionate amyotrophic_lateral_sclerosis GAP_HIGH 0.1249 0.36 fludrocortisone High-priority: Binding assay testosterone_propionate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.36) carbidopa conduct_disorder GAP_HIGH 0.1249 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.35) diethylstilbestrol pharynx_cancer GAP_HIGH 0.1249 0.3333333333333333 loperamide High-priority: Binding assay diethylstilbestrol→?; validate in pharynx_cancer cell model. Expected: similar to loperamide (Jaccard=0.33) oxcarbazepine muscle_cancer GAP_HIGH 0.1249 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in muscle_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) alverine meningioma GAP_HIGH 0.1249 0.28 methadone High-priority: Binding assay alverine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.28) aceprometazine germ_cell_cancer GAP_HIGH 0.1249 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) estazolam polycystic_ovary_syndrome GAP_HIGH 0.1249 0.25 clomipramine High-priority: Binding assay estazolam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clomipramine (Jaccard=0.25) flurazepam polycystic_ovary_syndrome GAP_HIGH 0.1249 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.22) flurazepam vitiligo GAP_HIGH 0.1249 0.2222222222222222 clozapine High-priority: Binding assay flurazepam→?; validate in vitiligo cell model. Expected: similar to clozapine (Jaccard=0.22) selegiline nephrolithiasis GAP_HIGH 0.1249 0.2 benzocaine High-priority: Binding assay selegiline→?; validate in nephrolithiasis cell model. Expected: similar to benzocaine (Jaccard=0.20) dienestrol alzheimers_disease GAP_HIGH 0.1249 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in alzheimers_disease cell model. Expected: similar to mesalazine (Jaccard=0.18) ketazolam peripheral_nervous_system_neoplasm GAP_HIGH 0.1249 0.18181818181818182 phenylbutazone High-priority: Binding assay ketazolam→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.18) ephedrine pancreatic_cancer GAP_HIGH 0.1249 0.17647058823529413 oxaprozin High-priority: Binding assay ephedrine→?; validate in pancreatic_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.18) melatonin melanoma GAP_HIGH 0.1249 0.16666666666666666 atropine High-priority: Binding assay melatonin→?; validate in melanoma cell model. Expected: similar to atropine (Jaccard=0.17) metolazone asthma GAP_LOW 0.1249 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs asthma targets. Cross-check metolazone pharmacophore against asthma pathway. ritodrine head_and_neck_cancer GAP_LOW 0.1249 0.14285714285714285 clodronate Low-priority: Computational docking ritodrine vs head_and_neck_cancer targets. Cross-check ritodrine pharmacophore against head_and_neck_cancer pathway. ritodrine malignant_glioma GAP_LOW 0.1249 0.14285714285714285 etidronic_acid Low-priority: Computational docking ritodrine vs malignant_glioma targets. Cross-check ritodrine pharmacophore against malignant_glioma pathway. sulfanilamide hepatitis_b GAP_LOW 0.1249 0.14285714285714285 mitiglinide Low-priority: Computational docking sulfanilamide vs hepatitis_b targets. Cross-check sulfanilamide pharmacophore against hepatitis_b pathway. halazepam penile_cancer GAP_LOW 0.1249 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs penile_cancer targets. Cross-check halazepam pharmacophore against penile_cancer pathway. zolpidem larynx_cancer GAP_LOW 0.1249 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs larynx_cancer targets. Cross-check zolpidem pharmacophore against larynx_cancer pathway. vorinostat chronic_kidney_failure GAP_LOW 0.1249 0.10526315789473684 acetylsalicylic_acid Low-priority: Computational docking vorinostat vs chronic_kidney_failure targets. Cross-check vorinostat pharmacophore against chronic_kidney_failure pathway. ceruletide brain_cancer GAP_LOW 0.1249 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs brain_cancer targets. Cross-check ceruletide pharmacophore against brain_cancer pathway. ceruletide intracranial_aneurysm GAP_LOW 0.1249 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs intracranial_aneurysm targets. Cross-check ceruletide pharmacophore against intracranial_aneurysm pathway. pemetrexed bone_cancer GAP_LOW 0.1249 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking pemetrexed vs bone_cancer targets. Cross-check pemetrexed pharmacophore against bone_cancer pathway. nisoldipine esophageal_cancer GAP_LOW 0.1249 0.06666666666666667 clocortolone Low-priority: Computational docking nisoldipine vs esophageal_cancer targets. Cross-check nisoldipine pharmacophore against esophageal_cancer pathway. tetracycline metabolic_syndrome_x GAP_LOW 0.1249 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs metabolic_syndrome_x targets. Cross-check tetracycline pharmacophore against metabolic_syndrome_x pathway. amodiaquine type_1_diabetes_mellitus GAP_LOW 0.1249 0.05405405405405406 bezafibrate Low-priority: Computational docking amodiaquine vs type_1_diabetes_mellitus targets. Cross-check amodiaquine pharmacophore against type_1_diabetes_mellitus pathway. sulpiride esophageal_cancer GAP_LOW 0.1249 0.05263157894736842 melphalan Low-priority: Computational docking sulpiride vs esophageal_cancer targets. Cross-check sulpiride pharmacophore against esophageal_cancer pathway. cilazapril celiac_disease GAP_LOW 0.1249 0.047619047619047616 fentanyl Low-priority: Computational docking cilazapril vs celiac_disease targets. Cross-check cilazapril pharmacophore against celiac_disease pathway. orlistat multiple_sclerosis GAP_LOW 0.1249 0.0 flurazepam Low-priority: Computational docking orlistat vs multiple_sclerosis targets. Cross-check orlistat pharmacophore against multiple_sclerosis pathway. orlistat osteoporosis GAP_LOW 0.1249 0.0 hydrocortisone Low-priority: Computational docking orlistat vs osteoporosis targets. Cross-check orlistat pharmacophore against osteoporosis pathway. orlistat ovarian_cancer GAP_LOW 0.1249 0.0 flurazepam Low-priority: Computational docking orlistat vs ovarian_cancer targets. Cross-check orlistat pharmacophore against ovarian_cancer pathway. orlistat psoriasis GAP_LOW 0.1249 0.0 loxapine Low-priority: Computational docking orlistat vs psoriasis targets. Cross-check orlistat pharmacophore against psoriasis pathway. orlistat uterine_cancer GAP_LOW 0.1249 0.0 hydrocortisone Low-priority: Computational docking orlistat vs uterine_cancer targets. Cross-check orlistat pharmacophore against uterine_cancer pathway. methotrimeprazine skin_cancer GAP_HIGH 0.1248 0.3888888888888889 ethopropazine High-priority: Binding assay methotrimeprazine→?; validate in skin_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.39) acepromazine azoospermia GAP_HIGH 0.1248 0.375 doxepin High-priority: Binding assay acepromazine→?; validate in azoospermia cell model. Expected: similar to doxepin (Jaccard=0.38) olsalazine vaginal_cancer GAP_HIGH 0.1248 0.375 vismodegib High-priority: Binding assay olsalazine→?; validate in vaginal_cancer cell model. Expected: similar to vismodegib (Jaccard=0.38) carbidopa bipolar_disorder GAP_HIGH 0.1248 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.35) norethindrone penile_cancer GAP_HIGH 0.1248 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in penile_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) naproxen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1248 0.3181818181818182 sotalol High-priority: Binding assay naproxen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to sotalol (Jaccard=0.32) oxcarbazepine ocular_cancer GAP_HIGH 0.1248 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) phentermine ankylosing_spondylitis GAP_HIGH 0.1248 0.30434782608695654 phenacemide High-priority: Binding assay phentermine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.30) midazolam duodenum_cancer GAP_HIGH 0.1248 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) midazolam gallbladder_cancer GAP_HIGH 0.1248 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) suprofen focal_segmental_glomerulosclerosis GAP_HIGH 0.1248 0.2571428571428571 fenoprofen High-priority: Binding assay suprofen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.26) flunarizine ulcerative_colitis GAP_HIGH 0.1248 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in ulcerative_colitis cell model. Expected: similar to cinnarizine (Jaccard=0.25) loteprednol malignant_mesothelioma GAP_HIGH 0.1248 0.25 fulvestrant High-priority: Binding assay loteprednol→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.25) indapamide uterine_fibroid GAP_HIGH 0.1248 0.2222222222222222 tamsulosin High-priority: Binding assay indapamide→?; validate in uterine_fibroid cell model. Expected: similar to tamsulosin (Jaccard=0.22) ethylmorphine thyroid_cancer GAP_HIGH 0.1248 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) phenoxybenzamine malaria GAP_HIGH 0.1248 0.20689655172413793 modafinil High-priority: Binding assay phenoxybenzamine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) conjugated_estrogens alzheimers_disease GAP_HIGH 0.1248 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in alzheimers_disease cell model. Expected: similar to bifonazole (Jaccard=0.20) dienestrol amyotrophic_lateral_sclerosis GAP_HIGH 0.1248 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to mesalazine (Jaccard=0.18) dienestrol parkinsons_disease GAP_HIGH 0.1248 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in parkinsons_disease cell model. Expected: similar to mesalazine (Jaccard=0.18) ephedrine uterine_cancer GAP_HIGH 0.1248 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) zafirlukast creutzfeldt-jakob_disease GAP_HIGH 0.1248 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to lisinopril (Jaccard=0.18) calcidiol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1248 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) naloxone celiac_disease GAP_HIGH 0.1248 0.16666666666666666 sorafenib High-priority: Binding assay naloxone→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.17) metolazone allergic_rhinitis GAP_LOW 0.1248 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs allergic_rhinitis targets. Cross-check metolazone pharmacophore against allergic_rhinitis pathway. metolazone atopic_dermatitis GAP_LOW 0.1248 0.14285714285714285 nateglinide Low-priority: Computational docking metolazone vs atopic_dermatitis targets. Cross-check metolazone pharmacophore against atopic_dermatitis pathway. tolbutamide pancreatitis GAP_LOW 0.1248 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs pancreatitis targets. Cross-check tolbutamide pharmacophore against pancreatitis pathway. tretinoin larynx_cancer GAP_LOW 0.1248 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs larynx_cancer targets. Cross-check tretinoin pharmacophore against larynx_cancer pathway. midodrine metabolic_syndrome_x GAP_LOW 0.1248 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs metabolic_syndrome_x targets. Cross-check midodrine pharmacophore against metabolic_syndrome_x pathway. midodrine skin_cancer GAP_LOW 0.1248 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs skin_cancer targets. Cross-check midodrine pharmacophore against skin_cancer pathway. pralatrexate atherosclerosis GAP_LOW 0.1248 0.125 olsalazine Low-priority: Computational docking pralatrexate vs atherosclerosis targets. Cross-check pralatrexate pharmacophore against atherosclerosis pathway. aminocaproic_acid multiple_sclerosis GAP_LOW 0.1248 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs multiple_sclerosis targets. Cross-check aminocaproic_acid pharmacophore against multiple_sclerosis pathway. aminocaproic_acid psoriasis GAP_LOW 0.1248 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs psoriasis targets. Cross-check aminocaproic_acid pharmacophore against psoriasis pathway. methocarbamol pharynx_cancer GAP_LOW 0.1248 0.1111111111111111 lacosamide Low-priority: Computational docking methocarbamol vs pharynx_cancer targets. Cross-check methocarbamol pharmacophore against pharynx_cancer pathway. sulpiride breast_cancer GAP_LOW 0.1248 0.1 sotalol Low-priority: Computational docking sulpiride vs breast_cancer targets. Cross-check sulpiride pharmacophore against breast_cancer pathway. travoprost urinary_bladder_cancer GAP_LOW 0.1248 0.1 prednicarbate Low-priority: Computational docking travoprost vs urinary_bladder_cancer targets. Cross-check travoprost pharmacophore against urinary_bladder_cancer pathway. zolpidem malaria GAP_LOW 0.1248 0.1 sulfamethizole Low-priority: Computational docking zolpidem vs malaria targets. Cross-check zolpidem pharmacophore against malaria pathway. quinacrine glaucoma GAP_LOW 0.1248 0.08571428571428572 pseudoephedrine Low-priority: Computational docking quinacrine vs glaucoma targets. Cross-check quinacrine pharmacophore against glaucoma pathway. isradipine penile_cancer GAP_LOW 0.1248 0.08 diphenylpyraline Low-priority: Computational docking isradipine vs penile_cancer targets. Cross-check isradipine pharmacophore against penile_cancer pathway. candesartan crohns_disease GAP_LOW 0.1248 0.058823529411764705 phenylpropanolamine Low-priority: Computational docking candesartan vs crohns_disease targets. Cross-check candesartan pharmacophore against crohns_disease pathway. tetracycline skin_cancer GAP_LOW 0.1248 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs skin_cancer targets. Cross-check tetracycline pharmacophore against skin_cancer pathway. tetracycline salivary_gland_cancer GAP_LOW 0.1248 0.05 clonidine Low-priority: Computational docking tetracycline vs salivary_gland_cancer targets. Cross-check tetracycline pharmacophore against salivary_gland_cancer pathway. papaverine atherosclerosis GAP_LOW 0.1248 0.034482758620689655 bezafibrate Low-priority: Computational docking papaverine vs atherosclerosis targets. Cross-check papaverine pharmacophore against atherosclerosis pathway. acetylcysteine lung_cancer GAP_LOW 0.1248 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs lung_cancer targets. Cross-check acetylcysteine pharmacophore against lung_cancer pathway. acetylcysteine head_and_neck_cancer GAP_LOW 0.1248 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs head_and_neck_cancer targets. Cross-check acetylcysteine pharmacophore against head_and_neck_cancer pathway. acetylcysteine malignant_glioma GAP_LOW 0.1248 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs malignant_glioma targets. Cross-check acetylcysteine pharmacophore against malignant_glioma pathway. ibuprofen malaria GAP_LOW 0.1248 0.0 ethotoin Low-priority: Computational docking ibuprofen vs malaria targets. Cross-check ibuprofen pharmacophore against malaria pathway. irbesartan malaria GAP_LOW 0.1248 0.0 ethotoin Low-priority: Computational docking irbesartan vs malaria targets. Cross-check irbesartan pharmacophore against malaria pathway. orlistat migraine GAP_LOW 0.1248 0.0 flurazepam Low-priority: Computational docking orlistat vs migraine targets. Cross-check orlistat pharmacophore against migraine pathway. orlistat sarcoma GAP_LOW 0.1248 0.0 hydrocortisone Low-priority: Computational docking orlistat vs sarcoma targets. Cross-check orlistat pharmacophore against sarcoma pathway. penicillamine head_and_neck_cancer GAP_LOW 0.1248 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs head_and_neck_cancer targets. Cross-check penicillamine pharmacophore against head_and_neck_cancer pathway. penicillamine malignant_glioma GAP_LOW 0.1248 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs malignant_glioma targets. Cross-check penicillamine pharmacophore against malignant_glioma pathway. bromfenac creutzfeldt-jakob_disease GAP_HIGH 0.1247 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salsalate (Jaccard=0.38) reboxetine chronic_kidney_failure GAP_HIGH 0.1247 0.3333333333333333 doxepin High-priority: Binding assay reboxetine→?; validate in chronic_kidney_failure cell model. Expected: similar to doxepin (Jaccard=0.33) vismodegib metabolic_syndrome_x GAP_HIGH 0.1247 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in metabolic_syndrome_x cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) glucosamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1247 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.26) drostanolone thyroid_cancer GAP_HIGH 0.1247 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in thyroid_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) flunarizine multiple_sclerosis GAP_HIGH 0.1247 0.25 cinnarizine High-priority: Binding assay flunarizine→?; validate in multiple_sclerosis cell model. Expected: similar to cinnarizine (Jaccard=0.25) lidocaine salivary_gland_cancer GAP_HIGH 0.1247 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in salivary_gland_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) olanzapine hypertension GAP_HIGH 0.1247 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in hypertension cell model. Expected: similar to aripiprazole (Jaccard=0.25) imatinib malignant_mesothelioma GAP_HIGH 0.1247 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in malignant_mesothelioma cell model. Expected: similar to sorafenib (Jaccard=0.21) conjugated_estrogens autistic_disorder GAP_HIGH 0.1247 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) hydromorphone allergic_rhinitis GAP_HIGH 0.1247 0.2 bromazepam High-priority: Binding assay hydromorphone→?; validate in allergic_rhinitis cell model. Expected: similar to bromazepam (Jaccard=0.20) naloxone chronic_obstructive_pulmonary_disease GAP_HIGH 0.1247 0.2 epinephrine High-priority: Binding assay naloxone→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.20) antipyrine ocular_cancer GAP_HIGH 0.1247 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) tamsulosin penile_cancer GAP_HIGH 0.1247 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) dapsone penile_cancer GAP_HIGH 0.1247 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) isocarboxazid esophageal_cancer GAP_HIGH 0.1247 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.17) pamidronate atherosclerosis GAP_HIGH 0.1247 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.17) estazolam atherosclerosis GAP_HIGH 0.1247 0.16129032258064516 flurbiprofen High-priority: Binding assay estazolam→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.16) levomilnacipran atherosclerosis GAP_LOW 0.1247 0.14285714285714285 warfarin Low-priority: Computational docking levomilnacipran vs atherosclerosis targets. Cross-check levomilnacipran pharmacophore against atherosclerosis pathway. l-citrulline germ_cell_cancer GAP_LOW 0.1247 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs germ_cell_cancer targets. Cross-check l-citrulline pharmacophore against germ_cell_cancer pathway. ritodrine hepatitis_b GAP_LOW 0.1247 0.125 nateglinide Low-priority: Computational docking ritodrine vs hepatitis_b targets. Cross-check ritodrine pharmacophore against hepatitis_b pathway. halazepam malignant_mesothelioma GAP_LOW 0.1247 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs malignant_mesothelioma targets. Cross-check halazepam pharmacophore against malignant_mesothelioma pathway. medroxyprogesterone_acetate alcohol_dependence GAP_LOW 0.1247 0.1111111111111111 naloxone Low-priority: Computational docking medroxyprogesterone_acetate vs alcohol_dependence targets. Cross-check medroxyprogesterone_acetate pharmacophore against alcohol_dependence pathway. streptozocin attention_deficit_hyperactivity_disorder GAP_LOW 0.1247 0.1111111111111111 isoprenaline Low-priority: Computational docking streptozocin vs attention_deficit_hyperactivity_disorder targets. Cross-check streptozocin pharmacophore against attention_deficit_hyperactivity_disorder pathway. choline celiac_disease GAP_LOW 0.1247 0.10526315789473684 progesterone Low-priority: Computational docking choline vs celiac_disease targets. Cross-check choline pharmacophore against celiac_disease pathway. dienestrol bone_cancer GAP_LOW 0.1247 0.07692307692307693 tetrahydrofolic_acid Low-priority: Computational docking dienestrol vs bone_cancer targets. Cross-check dienestrol pharmacophore against bone_cancer pathway. l-carnitine head_and_neck_cancer GAP_LOW 0.1247 0.07692307692307693 topotecan Low-priority: Computational docking l-carnitine vs head_and_neck_cancer targets. Cross-check l-carnitine pharmacophore against head_and_neck_cancer pathway. l-carnitine malignant_glioma GAP_LOW 0.1247 0.07692307692307693 topotecan Low-priority: Computational docking l-carnitine vs malignant_glioma targets. Cross-check l-carnitine pharmacophore against malignant_glioma pathway. l-asparagine refractive_error GAP_LOW 0.1247 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs refractive_error targets. Cross-check l-asparagine pharmacophore against refractive_error pathway. irbesartan atopic_dermatitis GAP_LOW 0.1247 0.0625 masoprocol Low-priority: Computational docking irbesartan vs atopic_dermatitis targets. Cross-check irbesartan pharmacophore against atopic_dermatitis pathway. tetracycline vulva_cancer GAP_LOW 0.1247 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs vulva_cancer targets. Cross-check tetracycline pharmacophore against vulva_cancer pathway. vapreotide dilated_cardiomyopathy GAP_LOW 0.1247 0.04 testosterone_propionate Low-priority: Computational docking vapreotide vs dilated_cardiomyopathy targets. Cross-check vapreotide pharmacophore against dilated_cardiomyopathy pathway. alendronate hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking alendronate vs hypothyroidism targets. Cross-check alendronate pharmacophore against hypothyroidism pathway. bezafibrate hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking bezafibrate vs hypothyroidism targets. Cross-check bezafibrate pharmacophore against hypothyroidism pathway. desipramine hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking desipramine vs hypothyroidism targets. Cross-check desipramine pharmacophore against hypothyroidism pathway. eplerenone hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking eplerenone vs hypothyroidism targets. Cross-check eplerenone pharmacophore against hypothyroidism pathway. etidronic_acid hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking etidronic_acid vs hypothyroidism targets. Cross-check etidronic_acid pharmacophore against hypothyroidism pathway. lacosamide hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking lacosamide vs hypothyroidism targets. Cross-check lacosamide pharmacophore against hypothyroidism pathway. pamidronate hypothyroidism GAP_LOW 0.1247 0.0 methimazole Low-priority: Computational docking pamidronate vs hypothyroidism targets. Cross-check pamidronate pharmacophore against hypothyroidism pathway. penicillamine kidney_cancer GAP_LOW 0.1247 0.0 oxybuprocaine Low-priority: Computational docking penicillamine vs kidney_cancer targets. Cross-check penicillamine pharmacophore against kidney_cancer pathway. carbidopa migraine GAP_HIGH 0.1246 0.35 l-dopa High-priority: Binding assay carbidopa→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.35) fludiazepam vascular_cancer GAP_HIGH 0.1246 0.3333333333333333 trifluoperazine High-priority: Binding assay fludiazepam→?; validate in vascular_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.33) salicylate-sodium kidney_cancer GAP_HIGH 0.1246 0.3076923076923077 sulfaphenazole High-priority: Binding assay salicylate-sodium→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.31) levorphanol penile_cancer GAP_HIGH 0.1246 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in penile_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) arbutamine creutzfeldt-jakob_disease GAP_HIGH 0.1246 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.25) olanzapine bipolar_disorder GAP_HIGH 0.1246 0.25 haloperidol High-priority: Binding assay olanzapine→?; validate in bipolar_disorder cell model. Expected: similar to haloperidol (Jaccard=0.25) olanzapine stomach_cancer GAP_HIGH 0.1246 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in stomach_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) podofilox idiopathic_pulmonary_fibrosis GAP_HIGH 0.1246 0.25 trovafloxacin High-priority: Binding assay podofilox→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to trovafloxacin (Jaccard=0.25) l-phenylalanine colon_cancer GAP_HIGH 0.1246 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) diethylpropion nephrolithiasis GAP_HIGH 0.1246 0.21052631578947367 chloroprocaine High-priority: Binding assay diethylpropion→?; validate in nephrolithiasis cell model. Expected: similar to chloroprocaine (Jaccard=0.21) ponatinib alzheimers_disease GAP_HIGH 0.1246 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in alzheimers_disease cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib parkinsons_disease GAP_HIGH 0.1246 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in parkinsons_disease cell model. Expected: similar to meclizine (Jaccard=0.20) mepyramine esophageal_cancer GAP_HIGH 0.1246 0.18181818181818182 tamoxifen High-priority: Binding assay mepyramine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) quinethazone attention_deficit_hyperactivity_disorder GAP_HIGH 0.1246 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ritodrine (Jaccard=0.18) calcidiol panic_disorder GAP_HIGH 0.1246 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in panic_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) agomelatine penile_cancer GAP_HIGH 0.1246 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) tolbutamide muscle_cancer GAP_LOW 0.1246 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs muscle_cancer targets. Cross-check tolbutamide pharmacophore against muscle_cancer pathway. indomethacin atherosclerosis GAP_LOW 0.1246 0.1111111111111111 clofibrate Low-priority: Computational docking indomethacin vs atherosclerosis targets. Cross-check indomethacin pharmacophore against atherosclerosis pathway. arbutamine leprosy GAP_LOW 0.1246 0.09090909090909091 lenalidomide Low-priority: Computational docking arbutamine vs leprosy targets. Cross-check arbutamine pharmacophore against leprosy pathway. isradipine malignant_mesothelioma GAP_LOW 0.1246 0.08 diphenylpyraline Low-priority: Computational docking isradipine vs malignant_mesothelioma targets. Cross-check isradipine pharmacophore against malignant_mesothelioma pathway. l-carnitine kidney_cancer GAP_LOW 0.1246 0.07692307692307693 benzocaine Low-priority: Computational docking l-carnitine vs kidney_cancer targets. Cross-check l-carnitine pharmacophore against kidney_cancer pathway. tetracycline vascular_cancer GAP_LOW 0.1246 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs vascular_cancer targets. Cross-check tetracycline pharmacophore against vascular_cancer pathway. l-citrulline acquired_immunodeficiency_syndrome GAP_LOW 0.1246 0.034482758620689655 lisinopril Low-priority: Computational docking l-citrulline vs acquired_immunodeficiency_syndrome targets. Cross-check l-citrulline pharmacophore against acquired_immunodeficiency_syndrome pathway. acetylcysteine liver_cancer GAP_LOW 0.1246 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs liver_cancer targets. Cross-check acetylcysteine pharmacophore against liver_cancer pathway. alcaftadine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking alcaftadine vs pagets_disease_of_bone targets. Cross-check alcaftadine pharmacophore against pagets_disease_of_bone pathway. anileridine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking anileridine vs pagets_disease_of_bone targets. Cross-check anileridine pharmacophore against pagets_disease_of_bone pathway. anisotropine_methylbromide pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking anisotropine_methylbromide vs pagets_disease_of_bone targets. Cross-check anisotropine_methylbromide pharmacophore against pagets_disease_of_bone pathway. bepotastine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking bepotastine vs pagets_disease_of_bone targets. Cross-check bepotastine pharmacophore against pagets_disease_of_bone pathway. cladribine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking cladribine vs pagets_disease_of_bone targets. Cross-check cladribine pharmacophore against pagets_disease_of_bone pathway. floxuridine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking floxuridine vs pagets_disease_of_bone targets. Cross-check floxuridine pharmacophore against pagets_disease_of_bone pathway. flunarizine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking flunarizine vs pagets_disease_of_bone targets. Cross-check flunarizine pharmacophore against pagets_disease_of_bone pathway. ketoprofen pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking ketoprofen vs pagets_disease_of_bone targets. Cross-check ketoprofen pharmacophore against pagets_disease_of_bone pathway. ketorolac pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking ketorolac vs pagets_disease_of_bone targets. Cross-check ketorolac pharmacophore against pagets_disease_of_bone pathway. lisinopril pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking lisinopril vs pagets_disease_of_bone targets. Cross-check lisinopril pharmacophore against pagets_disease_of_bone pathway. naproxen pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking naproxen vs pagets_disease_of_bone targets. Cross-check naproxen pharmacophore against pagets_disease_of_bone pathway. orlistat systemic_lupus_erythematosus GAP_LOW 0.1246 0.0 methdilazine Low-priority: Computational docking orlistat vs systemic_lupus_erythematosus targets. Cross-check orlistat pharmacophore against systemic_lupus_erythematosus pathway. oxybuprocaine pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking oxybuprocaine vs pagets_disease_of_bone targets. Cross-check oxybuprocaine pharmacophore against pagets_disease_of_bone pathway. penicillamine nephrolithiasis GAP_LOW 0.1246 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs nephrolithiasis targets. Cross-check penicillamine pharmacophore against nephrolithiasis pathway. ramipril pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking ramipril vs pagets_disease_of_bone targets. Cross-check ramipril pharmacophore against pagets_disease_of_bone pathway. sotalol pagets_disease_of_bone GAP_LOW 0.1246 0.0 ibandronate Low-priority: Computational docking sotalol vs pagets_disease_of_bone targets. Cross-check sotalol pharmacophore against pagets_disease_of_bone pathway. promazine primary_biliary_cirrhosis GAP_HIGH 0.1245 0.43478260869565216 toremifene High-priority: Binding assay promazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.43) diazepam lung_cancer GAP_HIGH 0.1245 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in lung_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) diazepam rectum_cancer GAP_HIGH 0.1245 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in rectum_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) isopropamide vulva_cancer GAP_HIGH 0.1245 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) bepridil penile_cancer GAP_HIGH 0.1245 0.3125 phenylbutazone High-priority: Binding assay bepridil→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) indecainide malignant_mesothelioma GAP_HIGH 0.1245 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.29) atropine mediastinal_cancer GAP_HIGH 0.1245 0.25 alclometasone High-priority: Binding assay atropine→?; validate in mediastinal_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) butenafine uterine_cancer GAP_HIGH 0.1245 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in uterine_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.25) lidocaine ocular_cancer GAP_HIGH 0.1245 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in ocular_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) olanzapine pancreatic_cancer GAP_HIGH 0.1245 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in pancreatic_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine ulcerative_colitis GAP_HIGH 0.1245 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in ulcerative_colitis cell model. Expected: similar to aripiprazole (Jaccard=0.25) flunarizine prostate_cancer GAP_HIGH 0.1245 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) l-phenylalanine stomach_cancer GAP_HIGH 0.1245 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) dimetindene melanoma GAP_HIGH 0.1245 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.22) ketorolac gilles_de_la_tourette_syndrome GAP_HIGH 0.1245 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.22) mepyramine muscle_cancer GAP_HIGH 0.1245 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) thalidomide ovarian_cancer GAP_HIGH 0.1245 0.2222222222222222 pemetrexed High-priority: Binding assay thalidomide→?; validate in ovarian_cancer cell model. Expected: similar to pemetrexed (Jaccard=0.22) hydromorphone multiple_sclerosis GAP_HIGH 0.1245 0.2 bromazepam High-priority: Binding assay hydromorphone→?; validate in multiple_sclerosis cell model. Expected: similar to bromazepam (Jaccard=0.20) ponatinib amyotrophic_lateral_sclerosis GAP_HIGH 0.1245 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib autistic_disorder GAP_HIGH 0.1245 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in autistic_disorder cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib nicotine_dependence GAP_HIGH 0.1245 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in nicotine_dependence cell model. Expected: similar to meclizine (Jaccard=0.20) dienestrol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1245 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mesalazine (Jaccard=0.18) calcidiol asthma GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in asthma cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol atopic_dermatitis GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in atopic_dermatitis cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol breast_cancer GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in breast_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol colon_cancer GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol conduct_disorder GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in conduct_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol schizophrenia GAP_HIGH 0.1245 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in schizophrenia cell model. Expected: similar to pimozide (Jaccard=0.17) dobutamine azoospermia GAP_HIGH 0.1245 0.16666666666666666 indecainide High-priority: Binding assay dobutamine→?; validate in azoospermia cell model. Expected: similar to indecainide (Jaccard=0.17) droperidol focal_segmental_glomerulosclerosis GAP_HIGH 0.1245 0.16666666666666666 perphenazine High-priority: Binding assay droperidol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to perphenazine (Jaccard=0.17) ospemifene esophageal_cancer GAP_HIGH 0.1245 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in esophageal_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) codeine thyroid_cancer GAP_HIGH 0.1245 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) ephedrine penile_cancer GAP_LOW 0.1245 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs penile_cancer targets. Cross-check ephedrine pharmacophore against penile_cancer pathway. dapsone focal_segmental_glomerulosclerosis GAP_LOW 0.1245 0.14285714285714285 metolazone Low-priority: Computational docking dapsone vs focal_segmental_glomerulosclerosis targets. Cross-check dapsone pharmacophore against focal_segmental_glomerulosclerosis pathway. hydrochlorothiazide alzheimers_disease GAP_LOW 0.1245 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs alzheimers_disease targets. Cross-check hydrochlorothiazide pharmacophore against alzheimers_disease pathway. tolbutamide lung_cancer GAP_LOW 0.1245 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs lung_cancer targets. Cross-check tolbutamide pharmacophore against lung_cancer pathway. zolpidem thymus_cancer GAP_LOW 0.1245 0.14285714285714285 pasireotide Low-priority: Computational docking zolpidem vs thymus_cancer targets. Cross-check zolpidem pharmacophore against thymus_cancer pathway. midodrine obesity GAP_LOW 0.1245 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs obesity targets. Cross-check midodrine pharmacophore against obesity pathway. streptozocin panic_disorder GAP_LOW 0.1245 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs panic_disorder targets. Cross-check streptozocin pharmacophore against panic_disorder pathway. l-carnitine nephrolithiasis GAP_LOW 0.1245 0.07692307692307693 benzocaine Low-priority: Computational docking l-carnitine vs nephrolithiasis targets. Cross-check l-carnitine pharmacophore against nephrolithiasis pathway. tetracycline obesity GAP_LOW 0.1245 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs obesity targets. Cross-check tetracycline pharmacophore against obesity pathway. aminocaproic_acid atherosclerosis GAP_LOW 0.1245 0.05 phenacemide Low-priority: Computational docking aminocaproic_acid vs atherosclerosis targets. Cross-check aminocaproic_acid pharmacophore against atherosclerosis pathway. tetracycline ocular_cancer GAP_LOW 0.1245 0.05 clonidine Low-priority: Computational docking tetracycline vs ocular_cancer targets. Cross-check tetracycline pharmacophore against ocular_cancer pathway. candesartan kidney_cancer GAP_LOW 0.1245 0.041666666666666664 quinacrine Low-priority: Computational docking candesartan vs kidney_cancer targets. Cross-check candesartan pharmacophore against kidney_cancer pathway. fenbufen gestational_diabetes GAP_LOW 0.1245 0.034482758620689655 bezafibrate Low-priority: Computational docking fenbufen vs gestational_diabetes targets. Cross-check fenbufen pharmacophore against gestational_diabetes pathway. quinacrine acquired_immunodeficiency_syndrome GAP_LOW 0.1245 0.027777777777777776 vidarabine Low-priority: Computational docking quinacrine vs acquired_immunodeficiency_syndrome targets. Cross-check quinacrine pharmacophore against acquired_immunodeficiency_syndrome pathway. orlistat metabolic_syndrome_x GAP_LOW 0.1245 0.0 hydrocortisone Low-priority: Computational docking orlistat vs metabolic_syndrome_x targets. Cross-check orlistat pharmacophore against metabolic_syndrome_x pathway. propofol idiopathic_pulmonary_fibrosis GAP_LOW 0.1245 0.0 hydrocortisone Low-priority: Computational docking propofol vs idiopathic_pulmonary_fibrosis targets. Cross-check propofol pharmacophore against idiopathic_pulmonary_fibrosis pathway. diazepam liver_cancer GAP_HIGH 0.1244 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in liver_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) diazepam crohns_disease GAP_HIGH 0.1244 0.3125 pirenzepine High-priority: Binding assay diazepam→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.31) oxcarbazepine peripheral_nervous_system_neoplasm GAP_HIGH 0.1244 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.31) oxcarbazepine urinary_bladder_cancer GAP_HIGH 0.1244 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) azatadine refractive_error GAP_HIGH 0.1244 0.2727272727272727 bimatoprost High-priority: Binding assay azatadine→?; validate in refractive_error cell model. Expected: similar to bimatoprost (Jaccard=0.27) fulvestrant skin_cancer GAP_HIGH 0.1244 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in skin_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) phenoxybenzamine prostate_cancer GAP_HIGH 0.1244 0.2608695652173913 pheniramine High-priority: Binding assay phenoxybenzamine→?; validate in prostate_cancer cell model. Expected: similar to pheniramine (Jaccard=0.26) drostanolone salivary_gland_cancer GAP_HIGH 0.1244 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) atropine thymus_cancer GAP_HIGH 0.1244 0.25 alclometasone High-priority: Binding assay atropine→?; validate in thymus_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) butenafine sarcoma GAP_HIGH 0.1244 0.25 propranolol High-priority: Binding assay butenafine→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.25) glucosamine penile_cancer GAP_HIGH 0.1244 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) olanzapine psoriasis GAP_HIGH 0.1244 0.25 haloperidol High-priority: Binding assay olanzapine→?; validate in psoriasis cell model. Expected: similar to haloperidol (Jaccard=0.25) olanzapine uterine_cancer GAP_HIGH 0.1244 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in uterine_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) medroxyprogesterone_acetate hypertension GAP_HIGH 0.1244 0.23529411764705882 progesterone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in hypertension cell model. Expected: similar to progesterone (Jaccard=0.24) testosterone intracranial_aneurysm GAP_HIGH 0.1244 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in intracranial_aneurysm cell model. Expected: similar to drospirenone (Jaccard=0.22) ethylmorphine muscle_cancer GAP_HIGH 0.1244 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) bepotastine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1244 0.2 cetirizine High-priority: Binding assay bepotastine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.20) conjugated_estrogens attention_deficit_hyperactivity_disorder GAP_HIGH 0.1244 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) hydromorphone migraine GAP_HIGH 0.1244 0.2 bromazepam High-priority: Binding assay hydromorphone→?; validate in migraine cell model. Expected: similar to bromazepam (Jaccard=0.20) antipyrine peripheral_nervous_system_neoplasm GAP_HIGH 0.1244 0.18518518518518517 phenylbutazone High-priority: Binding assay antipyrine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.19) ephedrine urinary_bladder_cancer GAP_HIGH 0.1244 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.17) calcidiol allergic_rhinitis GAP_HIGH 0.1244 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in allergic_rhinitis cell model. Expected: similar to pimozide (Jaccard=0.17) calcidiol bipolar_disorder GAP_HIGH 0.1244 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in bipolar_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) dapsone malignant_mesothelioma GAP_HIGH 0.1244 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.17) pomalidomide brain_cancer GAP_HIGH 0.1244 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) pomalidomide intracranial_aneurysm GAP_HIGH 0.1244 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.17) ritodrine nicotine_dependence GAP_HIGH 0.1244 0.16666666666666666 lisdexamfetamine High-priority: Binding assay ritodrine→?; validate in nicotine_dependence cell model. Expected: similar to lisdexamfetamine (Jaccard=0.17) tranylcypromine acquired_immunodeficiency_syndrome GAP_HIGH 0.1244 0.16666666666666666 mitiglinide High-priority: Binding assay tranylcypromine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.17) anisindione pharynx_cancer GAP_LOW 0.1244 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs pharynx_cancer targets. Cross-check anisindione pharmacophore against pharynx_cancer pathway. hydrochlorothiazide nicotine_dependence GAP_LOW 0.1244 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs nicotine_dependence targets. Cross-check hydrochlorothiazide pharmacophore against nicotine_dependence pathway. salbutamol lymphatic_system_cancer GAP_LOW 0.1244 0.14285714285714285 streptozocin Low-priority: Computational docking salbutamol vs lymphatic_system_cancer targets. Cross-check salbutamol pharmacophore against lymphatic_system_cancer pathway. tolbutamide liver_cancer GAP_LOW 0.1244 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs liver_cancer targets. Cross-check tolbutamide pharmacophore against liver_cancer pathway. calcitriol alopecia_areata GAP_LOW 0.1244 0.125 loteprednol Low-priority: Computational docking calcitriol vs alopecia_areata targets. Cross-check calcitriol pharmacophore against alopecia_areata pathway. aminocaproic_acid metabolic_syndrome_x GAP_LOW 0.1244 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs metabolic_syndrome_x targets. Cross-check aminocaproic_acid pharmacophore against metabolic_syndrome_x pathway. streptozocin colon_cancer GAP_LOW 0.1244 0.1111111111111111 isoprenaline Low-priority: Computational docking streptozocin vs colon_cancer targets. Cross-check streptozocin pharmacophore against colon_cancer pathway. streptozocin conduct_disorder GAP_LOW 0.1244 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs conduct_disorder targets. Cross-check streptozocin pharmacophore against conduct_disorder pathway. streptozocin schizophrenia GAP_LOW 0.1244 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs schizophrenia targets. Cross-check streptozocin pharmacophore against schizophrenia pathway. travoprost asthma GAP_LOW 0.1244 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs asthma targets. Cross-check travoprost pharmacophore against asthma pathway. travoprost breast_cancer GAP_LOW 0.1244 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs breast_cancer targets. Cross-check travoprost pharmacophore against breast_cancer pathway. oxazepam leprosy GAP_LOW 0.1244 0.08888888888888889 phensuximide Low-priority: Computational docking oxazepam vs leprosy targets. Cross-check oxazepam pharmacophore against leprosy pathway. esmolol nephrolithiasis GAP_LOW 0.1244 0.08333333333333333 cabazitaxel Low-priority: Computational docking esmolol vs nephrolithiasis targets. Cross-check esmolol pharmacophore against nephrolithiasis pathway. pravastatin systemic_lupus_erythematosus GAP_LOW 0.1244 0.07692307692307693 dyphylline Low-priority: Computational docking pravastatin vs systemic_lupus_erythematosus targets. Cross-check pravastatin pharmacophore against systemic_lupus_erythematosus pathway. methohexital salivary_gland_cancer GAP_LOW 0.1244 0.037037037037037035 lacosamide Low-priority: Computational docking methohexital vs salivary_gland_cancer targets. Cross-check methohexital pharmacophore against salivary_gland_cancer pathway. isradipine malaria GAP_LOW 0.1244 0.03571428571428571 modafinil Low-priority: Computational docking isradipine vs malaria targets. Cross-check isradipine pharmacophore against malaria pathway. acetylcysteine urinary_bladder_cancer GAP_LOW 0.1244 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs urinary_bladder_cancer targets. Cross-check acetylcysteine pharmacophore against urinary_bladder_cancer pathway. orlistat osteoarthritis GAP_LOW 0.1244 0.0 flurazepam Low-priority: Computational docking orlistat vs osteoarthritis targets. Cross-check orlistat pharmacophore against osteoarthritis pathway. orlistat skin_cancer GAP_LOW 0.1244 0.0 hydrocortisone Low-priority: Computational docking orlistat vs skin_cancer targets. Cross-check orlistat pharmacophore against skin_cancer pathway. diethylstilbestrol salivary_gland_cancer GAP_HIGH 0.1243 0.3333333333333333 loperamide High-priority: Binding assay diethylstilbestrol→?; validate in salivary_gland_cancer cell model. Expected: similar to loperamide (Jaccard=0.33) vismodegib obesity GAP_HIGH 0.1243 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in obesity cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) azatadine melanoma GAP_HIGH 0.1243 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in melanoma cell model. Expected: similar to raloxifene (Jaccard=0.30) bevantolol crohns_disease GAP_HIGH 0.1243 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in crohns_disease cell model. Expected: similar to propranolol (Jaccard=0.29) drostanolone muscle_cancer GAP_HIGH 0.1243 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in muscle_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) atropine coronary_artery_disease GAP_HIGH 0.1243 0.25 nefazodone High-priority: Binding assay atropine→?; validate in coronary_artery_disease cell model. Expected: similar to nefazodone (Jaccard=0.25) phenindamine duodenum_cancer GAP_HIGH 0.1243 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in duodenum_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) phenindamine gallbladder_cancer GAP_HIGH 0.1243 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in gallbladder_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) dextroamphetamine celiac_disease GAP_HIGH 0.1243 0.24 phenacemide High-priority: Binding assay dextroamphetamine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.24) tolmetin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1243 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to bezafibrate (Jaccard=0.24) flunarizine mediastinal_cancer GAP_HIGH 0.1243 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) l-phenylalanine ovarian_cancer GAP_HIGH 0.1243 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in ovarian_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) diethylpropion malignant_mesothelioma GAP_HIGH 0.1243 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.22) ethylmorphine hypertension GAP_HIGH 0.1243 0.21428571428571427 disopyramide High-priority: Binding assay ethylmorphine→?; validate in hypertension cell model. Expected: similar to disopyramide (Jaccard=0.21) fluspirilene idiopathic_pulmonary_fibrosis GAP_HIGH 0.1243 0.2 cetirizine High-priority: Binding assay fluspirilene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to cetirizine (Jaccard=0.20) ponatinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1243 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to meclizine (Jaccard=0.20) quinethazone asthma GAP_HIGH 0.1243 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in asthma cell model. Expected: similar to ritodrine (Jaccard=0.18) quinethazone atopic_dermatitis GAP_HIGH 0.1243 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in atopic_dermatitis cell model. Expected: similar to ritodrine (Jaccard=0.18) chlorthalidone malignant_mesothelioma GAP_HIGH 0.1243 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.18) calcidiol endogenous_depression GAP_HIGH 0.1243 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in endogenous_depression cell model. Expected: similar to pimozide (Jaccard=0.17) ergocalciferol nephrolithiasis GAP_LOW 0.1243 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs nephrolithiasis targets. Cross-check ergocalciferol pharmacophore against nephrolithiasis pathway. trandolapril gestational_diabetes GAP_LOW 0.1243 0.13333333333333333 sulpiride Low-priority: Computational docking trandolapril vs gestational_diabetes targets. Cross-check trandolapril pharmacophore against gestational_diabetes pathway. streptozocin bipolar_disorder GAP_LOW 0.1243 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs bipolar_disorder targets. Cross-check streptozocin pharmacophore against bipolar_disorder pathway. sulfamethizole bone_cancer GAP_LOW 0.1243 0.1 clodronate Low-priority: Computational docking sulfamethizole vs bone_cancer targets. Cross-check sulfamethizole pharmacophore against bone_cancer pathway. travoprost allergic_rhinitis GAP_LOW 0.1243 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs allergic_rhinitis targets. Cross-check travoprost pharmacophore against allergic_rhinitis pathway. travoprost atopic_dermatitis GAP_LOW 0.1243 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs atopic_dermatitis targets. Cross-check travoprost pharmacophore against atopic_dermatitis pathway. travoprost colon_cancer GAP_LOW 0.1243 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs colon_cancer targets. Cross-check travoprost pharmacophore against colon_cancer pathway. travoprost stomach_cancer GAP_LOW 0.1243 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs stomach_cancer targets. Cross-check travoprost pharmacophore against stomach_cancer pathway. l-aspartic_acid coronary_artery_disease GAP_LOW 0.1243 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs coronary_artery_disease targets. Cross-check l-aspartic_acid pharmacophore against coronary_artery_disease pathway. ospemifene alcohol_dependence GAP_LOW 0.1243 0.08695652173913043 levorphanol Low-priority: Computational docking ospemifene vs alcohol_dependence targets. Cross-check ospemifene pharmacophore against alcohol_dependence pathway. tolazamide focal_segmental_glomerulosclerosis GAP_LOW 0.1243 0.08333333333333333 indapamide Low-priority: Computational docking tolazamide vs focal_segmental_glomerulosclerosis targets. Cross-check tolazamide pharmacophore against focal_segmental_glomerulosclerosis pathway. amphetamine gilles_de_la_tourette_syndrome GAP_LOW 0.1243 0.07142857142857142 ifenprodil Low-priority: Computational docking amphetamine vs gilles_de_la_tourette_syndrome targets. Cross-check amphetamine pharmacophore against gilles_de_la_tourette_syndrome pathway. tafluprost kidney_cancer GAP_LOW 0.1243 0.0625 spironolactone Low-priority: Computational docking tafluprost vs kidney_cancer targets. Cross-check tafluprost pharmacophore against kidney_cancer pathway. tetracycline uterine_fibroid GAP_LOW 0.1243 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs uterine_fibroid targets. Cross-check tetracycline pharmacophore against uterine_fibroid pathway. quinacrine lymphatic_system_cancer GAP_LOW 0.1243 0.05 streptozocin Low-priority: Computational docking quinacrine vs lymphatic_system_cancer targets. Cross-check quinacrine pharmacophore against lymphatic_system_cancer pathway. procainamide pagets_disease_of_bone GAP_LOW 0.1243 0.017857142857142856 histamine_phosphate Low-priority: Computational docking procainamide vs pagets_disease_of_bone targets. Cross-check procainamide pharmacophore against pagets_disease_of_bone pathway. aceprometazine hypothyroidism GAP_LOW 0.1243 0.0 methimazole Low-priority: Computational docking aceprometazine vs hypothyroidism targets. Cross-check aceprometazine pharmacophore against hypothyroidism pathway. brompheniramine hypothyroidism GAP_LOW 0.1243 0.0 methimazole Low-priority: Computational docking brompheniramine vs hypothyroidism targets. Cross-check brompheniramine pharmacophore against hypothyroidism pathway. dihomo-gamma-linolenic_acid chronic_kidney_failure GAP_LOW 0.1243 0.0 cinolazepam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs chronic_kidney_failure targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against chronic_kidney_failure pathway. lubiprostone chronic_kidney_failure GAP_LOW 0.1243 0.0 cinolazepam Low-priority: Computational docking lubiprostone vs chronic_kidney_failure targets. Cross-check lubiprostone pharmacophore against chronic_kidney_failure pathway. orlistat testicular_cancer GAP_LOW 0.1243 0.0 hydrocortisone Low-priority: Computational docking orlistat vs testicular_cancer targets. Cross-check orlistat pharmacophore against testicular_cancer pathway. orlistat vaginal_cancer GAP_LOW 0.1243 0.0 hydrocortisone Low-priority: Computational docking orlistat vs vaginal_cancer targets. Cross-check orlistat pharmacophore against vaginal_cancer pathway. orlistat vulva_cancer GAP_LOW 0.1243 0.0 hydrocortisone Low-priority: Computational docking orlistat vs vulva_cancer targets. Cross-check orlistat pharmacophore against vulva_cancer pathway. penicillamine chronic_kidney_failure GAP_LOW 0.1243 0.0 cinolazepam Low-priority: Computational docking penicillamine vs chronic_kidney_failure targets. Cross-check penicillamine pharmacophore against chronic_kidney_failure pathway. propofol primary_biliary_cirrhosis GAP_LOW 0.1243 0.0 hydrocortisone Low-priority: Computational docking propofol vs primary_biliary_cirrhosis targets. Cross-check propofol pharmacophore against primary_biliary_cirrhosis pathway. voacamine hypothyroidism GAP_LOW 0.1243 0.0 methimazole Low-priority: Computational docking voacamine vs hypothyroidism targets. Cross-check voacamine pharmacophore against hypothyroidism pathway. diphenhydramine esophageal_cancer GAP_HIGH 0.1242 0.39285714285714285 toremifene High-priority: Binding assay diphenhydramine→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.39) dextroamphetamine pharynx_cancer GAP_HIGH 0.1242 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) oxazepam melanoma GAP_HIGH 0.1242 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) atropine hematologic_cancer GAP_HIGH 0.1242 0.25 alclometasone High-priority: Binding assay atropine→?; validate in hematologic_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) glucosamine malignant_mesothelioma GAP_HIGH 0.1242 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.25) flunarizine thymus_cancer GAP_HIGH 0.1242 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) acenocoumarol prostate_cancer GAP_HIGH 0.1242 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) ethylmorphine lung_cancer GAP_HIGH 0.1242 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in lung_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) isopropamide alcohol_dependence GAP_HIGH 0.1242 0.21052631578947367 ethylmorphine High-priority: Binding assay isopropamide→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.21) conjugated_estrogens panic_disorder GAP_HIGH 0.1242 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in panic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) conjugated_estrogens schizophrenia GAP_HIGH 0.1242 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in schizophrenia cell model. Expected: similar to bifonazole (Jaccard=0.20) flunarizine esophageal_cancer GAP_HIGH 0.1242 0.2 letrozole High-priority: Binding assay flunarizine→?; validate in esophageal_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) naloxone lung_cancer GAP_HIGH 0.1242 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in lung_cancer cell model. Expected: similar to pazopanib (Jaccard=0.20) quinethazone allergic_rhinitis GAP_HIGH 0.1242 0.18181818181818182 ritodrine High-priority: Binding assay quinethazone→?; validate in allergic_rhinitis cell model. Expected: similar to ritodrine (Jaccard=0.18) ephedrine vaginal_cancer GAP_HIGH 0.1242 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) ephedrine vulva_cancer GAP_HIGH 0.1242 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.18) calcidiol ovarian_cancer GAP_HIGH 0.1242 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) zafirlukast azoospermia GAP_HIGH 0.1242 0.15384615384615385 deferasirox High-priority: Binding assay zafirlukast→?; validate in azoospermia cell model. Expected: similar to deferasirox (Jaccard=0.15) hydrochlorothiazide attention_deficit_hyperactivity_disorder GAP_LOW 0.1242 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs attention_deficit_hyperactivity_disorder targets. Cross-check hydrochlorothiazide pharmacophore against attention_deficit_hyperactivity_disorder pathway. tolbutamide urinary_bladder_cancer GAP_LOW 0.1242 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs urinary_bladder_cancer targets. Cross-check tolbutamide pharmacophore against urinary_bladder_cancer pathway. pamidronate alcohol_dependence GAP_LOW 0.1242 0.13333333333333333 temazepam Low-priority: Computational docking pamidronate vs alcohol_dependence targets. Cross-check pamidronate pharmacophore against alcohol_dependence pathway. dapsone atherosclerosis GAP_LOW 0.1242 0.1111111111111111 phenelzine Low-priority: Computational docking dapsone vs atherosclerosis targets. Cross-check dapsone pharmacophore against atherosclerosis pathway. streptozocin endogenous_depression GAP_LOW 0.1242 0.1111111111111111 isoprenaline Low-priority: Computational docking streptozocin vs endogenous_depression targets. Cross-check streptozocin pharmacophore against endogenous_depression pathway. lercanidipine ulcerative_colitis GAP_LOW 0.1242 0.1 fentanyl Low-priority: Computational docking lercanidipine vs ulcerative_colitis targets. Cross-check lercanidipine pharmacophore against ulcerative_colitis pathway. travoprost pancreatic_cancer GAP_LOW 0.1242 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs pancreatic_cancer targets. Cross-check travoprost pharmacophore against pancreatic_cancer pathway. travoprost coronary_artery_disease GAP_LOW 0.1242 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs coronary_artery_disease targets. Cross-check travoprost pharmacophore against coronary_artery_disease pathway. pravastatin skin_cancer GAP_LOW 0.1242 0.07692307692307693 dyphylline Low-priority: Computational docking pravastatin vs skin_cancer targets. Cross-check pravastatin pharmacophore against skin_cancer pathway. tafluprost nephrolithiasis GAP_LOW 0.1242 0.0625 spironolactone Low-priority: Computational docking tafluprost vs nephrolithiasis targets. Cross-check tafluprost pharmacophore against nephrolithiasis pathway. methohexital alopecia_areata GAP_LOW 0.1242 0.0 hydrocortisone Low-priority: Computational docking methohexital vs alopecia_areata targets. Cross-check methohexital pharmacophore against alopecia_areata pathway. orlistat vascular_cancer GAP_LOW 0.1242 0.0 hydrocortisone Low-priority: Computational docking orlistat vs vascular_cancer targets. Cross-check orlistat pharmacophore against vascular_cancer pathway. phenobarbital alopecia_areata GAP_LOW 0.1242 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs alopecia_areata targets. Cross-check phenobarbital pharmacophore against alopecia_areata pathway. tetracycline alopecia_areata GAP_LOW 0.1242 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs alopecia_areata targets. Cross-check tetracycline pharmacophore against alopecia_areata pathway. thiamylal alopecia_areata GAP_LOW 0.1242 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs alopecia_areata targets. Cross-check thiamylal pharmacophore against alopecia_areata pathway. clomipramine skin_cancer GAP_HIGH 0.1241 0.46153846153846156 methdilazine High-priority: Binding assay clomipramine→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.46) pipotiazine sarcoma GAP_HIGH 0.1241 0.4444444444444444 ethopropazine High-priority: Binding assay pipotiazine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.44) oxaprozin sarcoma GAP_HIGH 0.1241 0.38461538461538464 phenytoin High-priority: Binding assay oxaprozin→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.38) bromfenac chronic_obstructive_pulmonary_disease GAP_HIGH 0.1241 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salsalate (Jaccard=0.38) droxidopa azoospermia GAP_HIGH 0.1241 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) isopropamide uterine_fibroid GAP_HIGH 0.1241 0.3333333333333333 tamoxifen High-priority: Binding assay isopropamide→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.33) clozapine kidney_cancer GAP_HIGH 0.1241 0.30434782608695654 quinacrine High-priority: Binding assay clozapine→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.30) bromodiphenhydramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1241 0.2727272727272727 atomoxetine High-priority: Binding assay bromodiphenhydramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.27) drostanolone ocular_cancer GAP_HIGH 0.1241 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in ocular_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) aceprometazine malignant_mesothelioma GAP_HIGH 0.1241 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.25) arbutamine thyroid_cancer GAP_HIGH 0.1241 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) olanzapine systemic_lupus_erythematosus GAP_HIGH 0.1241 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cholecalciferol (Jaccard=0.25) pimozide metabolic_syndrome_x GAP_HIGH 0.1241 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in metabolic_syndrome_x cell model. Expected: similar to ezetimibe (Jaccard=0.25) propericiazine alcohol_dependence GAP_HIGH 0.1241 0.23529411764705882 temazepam High-priority: Binding assay propericiazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.24) flunarizine coronary_artery_disease GAP_HIGH 0.1241 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.23) dimetindene sclerosing_cholangitis GAP_HIGH 0.1241 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in sclerosing_cholangitis cell model. Expected: similar to reboxetine (Jaccard=0.22) imipramine crohns_disease GAP_HIGH 0.1241 0.2222222222222222 nortriptyline High-priority: Binding assay imipramine→?; validate in crohns_disease cell model. Expected: similar to nortriptyline (Jaccard=0.22) imatinib meningioma GAP_HIGH 0.1241 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in meningioma cell model. Expected: similar to sorafenib (Jaccard=0.21) conjugated_estrogens conduct_disorder GAP_HIGH 0.1241 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in conduct_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) dienestrol bipolar_disorder GAP_HIGH 0.1241 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in bipolar_disorder cell model. Expected: similar to mesalazine (Jaccard=0.18) ephedrine testicular_cancer GAP_HIGH 0.1241 0.17647058823529413 oxaprozin High-priority: Binding assay ephedrine→?; validate in testicular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.18) zafirlukast epilepsy_syndrome GAP_HIGH 0.1241 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in epilepsy_syndrome cell model. Expected: similar to lisinopril (Jaccard=0.18) calcidiol migraine GAP_HIGH 0.1241 0.16666666666666666 pimozide High-priority: Binding assay calcidiol→?; validate in migraine cell model. Expected: similar to pimozide (Jaccard=0.17) pralatrexate narcolepsy GAP_HIGH 0.1241 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.17) codeine muscle_cancer GAP_HIGH 0.1241 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in muscle_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) melatonin crohns_disease GAP_HIGH 0.1241 0.15384615384615385 pirenzepine High-priority: Binding assay melatonin→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.15) anisindione thyroid_cancer GAP_LOW 0.1241 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs thyroid_cancer targets. Cross-check anisindione pharmacophore against thyroid_cancer pathway. dapsone hepatitis_b GAP_LOW 0.1241 0.125 nateglinide Low-priority: Computational docking dapsone vs hepatitis_b targets. Cross-check dapsone pharmacophore against hepatitis_b pathway. l-citrulline penile_cancer GAP_LOW 0.1241 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs penile_cancer targets. Cross-check l-citrulline pharmacophore against penile_cancer pathway. halazepam meningioma GAP_LOW 0.1241 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs meningioma targets. Cross-check halazepam pharmacophore against meningioma pathway. ceruletide head_and_neck_cancer GAP_LOW 0.1241 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs head_and_neck_cancer targets. Cross-check ceruletide pharmacophore against head_and_neck_cancer pathway. ceruletide malignant_glioma GAP_LOW 0.1241 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs malignant_glioma targets. Cross-check ceruletide pharmacophore against malignant_glioma pathway. travoprost osteoporosis GAP_LOW 0.1241 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs osteoporosis targets. Cross-check travoprost pharmacophore against osteoporosis pathway. travoprost psoriasis GAP_LOW 0.1241 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs psoriasis targets. Cross-check travoprost pharmacophore against psoriasis pathway. travoprost ulcerative_colitis GAP_LOW 0.1241 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs ulcerative_colitis targets. Cross-check travoprost pharmacophore against ulcerative_colitis pathway. tolazamide azoospermia GAP_LOW 0.1241 0.09523809523809523 propafenone Low-priority: Computational docking tolazamide vs azoospermia targets. Cross-check tolazamide pharmacophore against azoospermia pathway. travoprost narcolepsy GAP_LOW 0.1241 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs narcolepsy targets. Cross-check travoprost pharmacophore against narcolepsy pathway. travoprost membranous_glomerulonephritis GAP_LOW 0.1241 0.08333333333333333 floctafenine Low-priority: Computational docking travoprost vs membranous_glomerulonephritis targets. Cross-check travoprost pharmacophore against membranous_glomerulonephritis pathway. nimodipine refractive_error GAP_LOW 0.1241 0.07142857142857142 propranolol Low-priority: Computational docking nimodipine vs refractive_error targets. Cross-check nimodipine pharmacophore against refractive_error pathway. sulpiride azoospermia GAP_LOW 0.1241 0.06666666666666667 aprindine Low-priority: Computational docking sulpiride vs azoospermia targets. Cross-check sulpiride pharmacophore against azoospermia pathway. benazepril crohns_disease GAP_LOW 0.1241 0.058823529411764705 sorafenib Low-priority: Computational docking benazepril vs crohns_disease targets. Cross-check benazepril pharmacophore against crohns_disease pathway. ceruletide dilated_cardiomyopathy GAP_LOW 0.1241 0.05555555555555555 testosterone_propionate Low-priority: Computational docking ceruletide vs dilated_cardiomyopathy targets. Cross-check ceruletide pharmacophore against dilated_cardiomyopathy pathway. spirapril crohns_disease GAP_LOW 0.1241 0.05263157894736842 trimipramine Low-priority: Computational docking spirapril vs crohns_disease targets. Cross-check spirapril pharmacophore against crohns_disease pathway. losartan azoospermia GAP_LOW 0.1241 0.041666666666666664 pseudoephedrine Low-priority: Computational docking losartan vs azoospermia targets. Cross-check losartan pharmacophore against azoospermia pathway. methohexital ocular_cancer GAP_LOW 0.1241 0.037037037037037035 lacosamide Low-priority: Computational docking methohexital vs ocular_cancer targets. Cross-check methohexital pharmacophore against ocular_cancer pathway. acetic_acid bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking acetic_acid vs bone_cancer targets. Cross-check acetic_acid pharmacophore against bone_cancer pathway. acetic_acid gestational_diabetes GAP_LOW 0.1241 0.0 tolazamide Low-priority: Computational docking acetic_acid vs gestational_diabetes targets. Cross-check acetic_acid pharmacophore against gestational_diabetes pathway. aminocaproic_acid bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking aminocaproic_acid vs bone_cancer targets. Cross-check aminocaproic_acid pharmacophore against bone_cancer pathway. amlodipine acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking amlodipine vs acquired_immunodeficiency_syndrome targets. Cross-check amlodipine pharmacophore against acquired_immunodeficiency_syndrome pathway. benzthiazide bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking benzthiazide vs bone_cancer targets. Cross-check benzthiazide pharmacophore against bone_cancer pathway. benzthiazide gestational_diabetes GAP_LOW 0.1241 0.0 tolazamide Low-priority: Computational docking benzthiazide vs gestational_diabetes targets. Cross-check benzthiazide pharmacophore against gestational_diabetes pathway. carboprost_tromethamine acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking carboprost_tromethamine vs acquired_immunodeficiency_syndrome targets. Cross-check carboprost_tromethamine pharmacophore against acquired_immunodeficiency_syndrome pathway. dinoprost_tromethamine acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking dinoprost_tromethamine vs acquired_immunodeficiency_syndrome targets. Cross-check dinoprost_tromethamine pharmacophore against acquired_immunodeficiency_syndrome pathway. dinoprostone acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking dinoprostone vs acquired_immunodeficiency_syndrome targets. Cross-check dinoprostone pharmacophore against acquired_immunodeficiency_syndrome pathway. epoprostenol acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking epoprostenol vs acquired_immunodeficiency_syndrome targets. Cross-check epoprostenol pharmacophore against acquired_immunodeficiency_syndrome pathway. esmolol bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking esmolol vs bone_cancer targets. Cross-check esmolol pharmacophore against bone_cancer pathway. methocarbamol bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking methocarbamol vs bone_cancer targets. Cross-check methocarbamol pharmacophore against bone_cancer pathway. quinestrol bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking quinestrol vs bone_cancer targets. Cross-check quinestrol pharmacophore against bone_cancer pathway. quinestrol gestational_diabetes GAP_LOW 0.1241 0.0 tolazamide Low-priority: Computational docking quinestrol vs gestational_diabetes targets. Cross-check quinestrol pharmacophore against gestational_diabetes pathway. streptozocin bone_cancer GAP_LOW 0.1241 0.0 ibandronate Low-priority: Computational docking streptozocin vs bone_cancer targets. Cross-check streptozocin pharmacophore against bone_cancer pathway. streptozocin gestational_diabetes GAP_LOW 0.1241 0.0 tolazamide Low-priority: Computational docking streptozocin vs gestational_diabetes targets. Cross-check streptozocin pharmacophore against gestational_diabetes pathway. tafluprost acquired_immunodeficiency_syndrome GAP_LOW 0.1241 0.0 mitiglinide Low-priority: Computational docking tafluprost vs acquired_immunodeficiency_syndrome targets. Cross-check tafluprost pharmacophore against acquired_immunodeficiency_syndrome pathway. phensuximide systemic_lupus_erythematosus GAP_HIGH 0.124 0.3409090909090909 chlorprothixene High-priority: Binding assay phensuximide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.34) diethylstilbestrol ocular_cancer GAP_HIGH 0.124 0.3333333333333333 loperamide High-priority: Binding assay diethylstilbestrol→?; validate in ocular_cancer cell model. Expected: similar to loperamide (Jaccard=0.33) diazepam prostate_cancer GAP_HIGH 0.124 0.3125 pirenzepine High-priority: Binding assay diazepam→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.31) ethinyl_estradiol esophageal_cancer GAP_HIGH 0.124 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in esophageal_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) procaine crohns_disease GAP_HIGH 0.124 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.29) bromodiphenhydramine prostate_cancer GAP_HIGH 0.124 0.2727272727272727 carbinoxamine High-priority: Binding assay bromodiphenhydramine→?; validate in prostate_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) butenafine skin_cancer GAP_HIGH 0.124 0.25 propranolol High-priority: Binding assay butenafine→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) olanzapine metabolic_syndrome_x GAP_HIGH 0.124 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in metabolic_syndrome_x cell model. Expected: similar to cholecalciferol (Jaccard=0.25) flunarizine hematologic_cancer GAP_HIGH 0.124 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) l-phenylalanine systemic_lupus_erythematosus GAP_HIGH 0.124 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to phenacemide (Jaccard=0.23) acenocoumarol mediastinal_cancer GAP_HIGH 0.124 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) mepyramine urinary_bladder_cancer GAP_HIGH 0.124 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) conjugated_estrogens bipolar_disorder GAP_HIGH 0.124 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in bipolar_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) l-tryptophan membranous_glomerulonephritis GAP_HIGH 0.124 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.20) lenalidomide chronic_obstructive_pulmonary_disease GAP_HIGH 0.124 0.2 dipivefrin High-priority: Binding assay lenalidomide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dipivefrin (Jaccard=0.20) ponatinib asthma GAP_HIGH 0.124 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in asthma cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib conduct_disorder GAP_HIGH 0.124 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in conduct_disorder cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib panic_disorder GAP_HIGH 0.124 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in panic_disorder cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib schizophrenia GAP_HIGH 0.124 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in schizophrenia cell model. Expected: similar to meclizine (Jaccard=0.20) dienestrol endogenous_depression GAP_HIGH 0.124 0.18181818181818182 mesalazine High-priority: Binding assay dienestrol→?; validate in endogenous_depression cell model. Expected: similar to mesalazine (Jaccard=0.18) mepyramine type_1_diabetes_mellitus GAP_HIGH 0.124 0.18181818181818182 cyclopentolate High-priority: Binding assay mepyramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.18) ephedrine vascular_cancer GAP_HIGH 0.124 0.17647058823529413 oxaprozin High-priority: Binding assay ephedrine→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.18) aminocaproic_acid obesity GAP_LOW 0.124 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs obesity targets. Cross-check aminocaproic_acid pharmacophore against obesity pathway. streptozocin migraine GAP_LOW 0.124 0.1111111111111111 menadione Low-priority: Computational docking streptozocin vs migraine targets. Cross-check streptozocin pharmacophore against migraine pathway. travoprost multiple_sclerosis GAP_LOW 0.124 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs multiple_sclerosis targets. Cross-check travoprost pharmacophore against multiple_sclerosis pathway. travoprost ovarian_cancer GAP_LOW 0.124 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs ovarian_cancer targets. Cross-check travoprost pharmacophore against ovarian_cancer pathway. quinacrine nephrolithiasis GAP_LOW 0.124 0.08823529411764706 cinchocaine Low-priority: Computational docking quinacrine vs nephrolithiasis targets. Cross-check quinacrine pharmacophore against nephrolithiasis pathway. methyltestosterone leprosy GAP_LOW 0.124 0.06666666666666667 menadione Low-priority: Computational docking methyltestosterone vs leprosy targets. Cross-check methyltestosterone pharmacophore against leprosy pathway. tafluprost chronic_kidney_failure GAP_LOW 0.124 0.0625 floctafenine Low-priority: Computational docking tafluprost vs chronic_kidney_failure targets. Cross-check tafluprost pharmacophore against chronic_kidney_failure pathway. thalidomide bone_cancer GAP_LOW 0.124 0.0625 tetrahydrofolic_acid Low-priority: Computational docking thalidomide vs bone_cancer targets. Cross-check thalidomide pharmacophore against bone_cancer pathway. tetracycline restless_legs_syndrome GAP_LOW 0.124 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs restless_legs_syndrome targets. Cross-check tetracycline pharmacophore against restless_legs_syndrome pathway. candesartan nephrolithiasis GAP_LOW 0.124 0.04 cinchocaine Low-priority: Computational docking candesartan vs nephrolithiasis targets. Cross-check candesartan pharmacophore against nephrolithiasis pathway. tofisopam atherosclerosis GAP_LOW 0.124 0.03225806451612903 bezafibrate Low-priority: Computational docking tofisopam vs atherosclerosis targets. Cross-check tofisopam pharmacophore against atherosclerosis pathway. orlistat systemic_scleroderma GAP_LOW 0.124 0.0 hydrocortisone Low-priority: Computational docking orlistat vs systemic_scleroderma targets. Cross-check orlistat pharmacophore against systemic_scleroderma pathway. salsalate lung_cancer GAP_HIGH 0.1239 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.38) salsalate rectum_cancer GAP_HIGH 0.1239 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.38) atomoxetine duodenum_cancer GAP_HIGH 0.1239 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) atomoxetine gallbladder_cancer GAP_HIGH 0.1239 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) aprindine skin_cancer GAP_HIGH 0.1239 0.3 bromodiphenhydramine High-priority: Binding assay aprindine→?; validate in skin_cancer cell model. Expected: similar to bromodiphenhydramine (Jaccard=0.30) bepridil focal_segmental_glomerulosclerosis GAP_HIGH 0.1239 0.2857142857142857 propiomazine High-priority: Binding assay bepridil→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to propiomazine (Jaccard=0.29) mitiglinide duodenum_cancer GAP_HIGH 0.1239 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) mitiglinide gallbladder_cancer GAP_HIGH 0.1239 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) mitiglinide melanoma GAP_HIGH 0.1239 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in melanoma cell model. Expected: similar to methylphenidate (Jaccard=0.29) prednisolone penile_cancer GAP_HIGH 0.1239 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in penile_cancer cell model. Expected: similar to amcinonide (Jaccard=0.29) butenafine testicular_cancer GAP_HIGH 0.1239 0.25 propranolol High-priority: Binding assay butenafine→?; validate in testicular_cancer cell model. Expected: similar to propranolol (Jaccard=0.25) butenafine vaginal_cancer GAP_HIGH 0.1239 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in vaginal_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.25) butenafine vulva_cancer GAP_HIGH 0.1239 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in vulva_cancer cell model. Expected: similar to apraclonidine (Jaccard=0.25) olanzapine skin_cancer GAP_HIGH 0.1239 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in skin_cancer cell model. Expected: similar to cholecalciferol (Jaccard=0.25) acenocoumarol thymus_cancer GAP_HIGH 0.1239 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) ethylmorphine urinary_bladder_cancer GAP_HIGH 0.1239 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.21) imatinib crohns_disease GAP_HIGH 0.1239 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.21) bepotastine coronary_artery_disease GAP_HIGH 0.1239 0.2 nefazodone High-priority: Binding assay bepotastine→?; validate in coronary_artery_disease cell model. Expected: similar to nefazodone (Jaccard=0.20) conjugated_estrogens endogenous_depression GAP_HIGH 0.1239 0.2 bifonazole High-priority: Binding assay conjugated_estrogens→?; validate in endogenous_depression cell model. Expected: similar to bifonazole (Jaccard=0.20) ponatinib atopic_dermatitis GAP_HIGH 0.1239 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in atopic_dermatitis cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib breast_cancer GAP_HIGH 0.1239 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in breast_cancer cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib hypertension GAP_HIGH 0.1239 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in hypertension cell model. Expected: similar to meclizine (Jaccard=0.20) dienestrol psoriasis GAP_HIGH 0.1239 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in psoriasis cell model. Expected: similar to estrone (Jaccard=0.18) nilotinib epilepsy_syndrome GAP_HIGH 0.1239 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) tamsulosin meningioma GAP_HIGH 0.1239 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.17) alfacalcidol alzheimers_disease GAP_HIGH 0.1239 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in alzheimers_disease cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol parkinsons_disease GAP_HIGH 0.1239 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in parkinsons_disease cell model. Expected: similar to pimozide (Jaccard=0.17) pimozide malaria GAP_HIGH 0.1239 0.16666666666666666 primidone High-priority: Binding assay pimozide→?; validate in malaria cell model. Expected: similar to primidone (Jaccard=0.17) dasatinib kidney_cancer GAP_HIGH 0.1239 0.15384615384615385 docetaxel High-priority: Binding assay dasatinib→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.15) etidronic_acid azoospermia GAP_LOW 0.1239 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs azoospermia targets. Cross-check etidronic_acid pharmacophore against azoospermia pathway. hydrochlorothiazide asthma GAP_LOW 0.1239 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs asthma targets. Cross-check hydrochlorothiazide pharmacophore against asthma pathway. midodrine type_2_diabetes_mellitus GAP_LOW 0.1239 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs type_2_diabetes_mellitus targets. Cross-check midodrine pharmacophore against type_2_diabetes_mellitus pathway. choline creutzfeldt-jakob_disease GAP_LOW 0.1239 0.125 desipramine Low-priority: Computational docking choline vs creutzfeldt-jakob_disease targets. Cross-check choline pharmacophore against creutzfeldt-jakob_disease pathway. l-citrulline malignant_mesothelioma GAP_LOW 0.1239 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs malignant_mesothelioma targets. Cross-check l-citrulline pharmacophore against malignant_mesothelioma pathway. aminocaproic_acid systemic_scleroderma GAP_LOW 0.1239 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs systemic_scleroderma targets. Cross-check aminocaproic_acid pharmacophore against systemic_scleroderma pathway. aciclovir kidney_cancer GAP_LOW 0.1239 0.09090909090909091 tolazamide Low-priority: Computational docking aciclovir vs kidney_cancer targets. Cross-check aciclovir pharmacophore against kidney_cancer pathway. tetracycline polycystic_ovary_syndrome GAP_LOW 0.1239 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs polycystic_ovary_syndrome targets. Cross-check tetracycline pharmacophore against polycystic_ovary_syndrome pathway. tetracycline type_2_diabetes_mellitus GAP_LOW 0.1239 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs type_2_diabetes_mellitus targets. Cross-check tetracycline pharmacophore against type_2_diabetes_mellitus pathway. tetracycline vitiligo GAP_LOW 0.1239 0.058823529411764705 salicylate-sodium Low-priority: Computational docking tetracycline vs vitiligo targets. Cross-check tetracycline pharmacophore against vitiligo pathway. calcium_acetate nephrolithiasis GAP_LOW 0.1239 0.04 procaine Low-priority: Computational docking calcium_acetate vs nephrolithiasis targets. Cross-check calcium_acetate pharmacophore against nephrolithiasis pathway. acetylcysteine stomach_cancer GAP_LOW 0.1239 0.02857142857142857 procaine Low-priority: Computational docking acetylcysteine vs stomach_cancer targets. Cross-check acetylcysteine pharmacophore against stomach_cancer pathway. amphetamine alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking amphetamine vs alcohol_dependence targets. Cross-check amphetamine pharmacophore against alcohol_dependence pathway. bromfenac hypothyroidism GAP_LOW 0.1239 0.0 methimazole Low-priority: Computational docking bromfenac vs hypothyroidism targets. Cross-check bromfenac pharmacophore against hypothyroidism pathway. clofibrate alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking clofibrate vs alcohol_dependence targets. Cross-check clofibrate pharmacophore against alcohol_dependence pathway. l-asparagine alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking l-asparagine vs alcohol_dependence targets. Cross-check l-asparagine pharmacophore against alcohol_dependence pathway. l-aspartic_acid alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking l-aspartic_acid vs alcohol_dependence targets. Cross-check l-aspartic_acid pharmacophore against alcohol_dependence pathway. l-cysteine alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking l-cysteine vs alcohol_dependence targets. Cross-check l-cysteine pharmacophore against alcohol_dependence pathway. l-methionine alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking l-methionine vs alcohol_dependence targets. Cross-check l-methionine pharmacophore against alcohol_dependence pathway. l-ornithine alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking l-ornithine vs alcohol_dependence targets. Cross-check l-ornithine pharmacophore against alcohol_dependence pathway. linaclotide alcohol_dependence GAP_LOW 0.1239 0.0 midazolam Low-priority: Computational docking linaclotide vs alcohol_dependence targets. Cross-check linaclotide pharmacophore against alcohol_dependence pathway. orlistat uterine_fibroid GAP_LOW 0.1239 0.0 hydrocortisone Low-priority: Computational docking orlistat vs uterine_fibroid targets. Cross-check orlistat pharmacophore against uterine_fibroid pathway. triflupromazine hypothyroidism GAP_LOW 0.1239 0.0 methimazole Low-priority: Computational docking triflupromazine vs hypothyroidism targets. Cross-check triflupromazine pharmacophore against hypothyroidism pathway. doxepin lung_cancer GAP_HIGH 0.1238 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in lung_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) doxepin rectum_cancer GAP_HIGH 0.1238 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in rectum_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) vismodegib polycystic_ovary_syndrome GAP_HIGH 0.1238 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) vismodegib type_2_diabetes_mellitus GAP_HIGH 0.1238 0.3076923076923077 salicylate-sodium High-priority: Binding assay vismodegib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) midazolam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1238 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to clozapine (Jaccard=0.29) fludiazepam celiac_disease GAP_HIGH 0.1238 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) levorphanol meningioma GAP_HIGH 0.1238 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in meningioma cell model. Expected: similar to exemestane (Jaccard=0.28) drostanolone peripheral_nervous_system_neoplasm GAP_HIGH 0.1238 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to progesterone (Jaccard=0.26) olanzapine testicular_cancer GAP_HIGH 0.1238 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in testicular_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine vaginal_cancer GAP_HIGH 0.1238 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in vaginal_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine vulva_cancer GAP_HIGH 0.1238 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in vulva_cancer cell model. Expected: similar to aripiprazole (Jaccard=0.25) l-phenylalanine skin_cancer GAP_HIGH 0.1238 0.22727272727272727 phenacemide High-priority: Binding assay l-phenylalanine→?; validate in skin_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) phenformin ankylosing_spondylitis GAP_HIGH 0.1238 0.2222222222222222 salicylic_acid High-priority: Binding assay phenformin→?; validate in ankylosing_spondylitis cell model. Expected: similar to salicylic_acid (Jaccard=0.22) sotalol membranous_glomerulonephritis GAP_HIGH 0.1238 0.21052631578947367 fenoprofen High-priority: Binding assay sotalol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.21) fluspirilene coronary_artery_disease GAP_HIGH 0.1238 0.2 nefazodone High-priority: Binding assay fluspirilene→?; validate in coronary_artery_disease cell model. Expected: similar to nefazodone (Jaccard=0.20) ponatinib allergic_rhinitis GAP_HIGH 0.1238 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in allergic_rhinitis cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib bipolar_disorder GAP_HIGH 0.1238 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in bipolar_disorder cell model. Expected: similar to meclizine (Jaccard=0.20) nilotinib breast_cancer GAP_HIGH 0.1238 0.1875 erlotinib High-priority: Binding assay nilotinib→?; validate in breast_cancer cell model. Expected: similar to erlotinib (Jaccard=0.19) nilotinib schizophrenia GAP_HIGH 0.1238 0.1875 erlotinib High-priority: Binding assay nilotinib→?; validate in schizophrenia cell model. Expected: similar to erlotinib (Jaccard=0.19) dapsone epilepsy_syndrome GAP_HIGH 0.1238 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in epilepsy_syndrome cell model. Expected: similar to methyclothiazide (Jaccard=0.18) levomilnacipran membranous_glomerulonephritis GAP_HIGH 0.1238 0.18181818181818182 promethazine High-priority: Binding assay levomilnacipran→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.18) proparacaine colon_cancer GAP_HIGH 0.1238 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.18) sulfanilamide malignant_mesothelioma GAP_HIGH 0.1238 0.17647058823529413 warfarin High-priority: Binding assay sulfanilamide→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.18) alfacalcidol amyotrophic_lateral_sclerosis GAP_HIGH 0.1238 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol autistic_disorder GAP_HIGH 0.1238 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in autistic_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol nicotine_dependence GAP_HIGH 0.1238 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in nicotine_dependence cell model. Expected: similar to pimozide (Jaccard=0.17) azatadine bone_cancer GAP_HIGH 0.1238 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in bone_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) dapsone meningioma GAP_HIGH 0.1238 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.17) agomelatine meningioma GAP_HIGH 0.1238 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.15) anisindione salivary_gland_cancer GAP_LOW 0.1238 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs salivary_gland_cancer targets. Cross-check anisindione pharmacophore against salivary_gland_cancer pathway. hydrochlorothiazide atopic_dermatitis GAP_LOW 0.1238 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs atopic_dermatitis targets. Cross-check hydrochlorothiazide pharmacophore against atopic_dermatitis pathway. hydrochlorothiazide breast_cancer GAP_LOW 0.1238 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs breast_cancer targets. Cross-check hydrochlorothiazide pharmacophore against breast_cancer pathway. hydrochlorothiazide colon_cancer GAP_LOW 0.1238 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs colon_cancer targets. Cross-check hydrochlorothiazide pharmacophore against colon_cancer pathway. midodrine vitiligo GAP_LOW 0.1238 0.13636363636363635 naproxen Low-priority: Computational docking midodrine vs vitiligo targets. Cross-check midodrine pharmacophore against vitiligo pathway. halazepam crohns_disease GAP_LOW 0.1238 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs crohns_disease targets. Cross-check halazepam pharmacophore against crohns_disease pathway. quinacrine penile_cancer GAP_LOW 0.1238 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs penile_cancer targets. Cross-check quinacrine pharmacophore against penile_cancer pathway. travoprost systemic_lupus_erythematosus GAP_LOW 0.1238 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs systemic_lupus_erythematosus targets. Cross-check travoprost pharmacophore against systemic_lupus_erythematosus pathway. flurazepam dilated_cardiomyopathy GAP_LOW 0.1238 0.09090909090909091 milrinone Low-priority: Computational docking flurazepam vs dilated_cardiomyopathy targets. Cross-check flurazepam pharmacophore against dilated_cardiomyopathy pathway. benzthiazide nicotine_dependence GAP_LOW 0.1238 0.08571428571428572 fenoprofen Low-priority: Computational docking benzthiazide vs nicotine_dependence targets. Cross-check benzthiazide pharmacophore against nicotine_dependence pathway. aminocaproic_acid celiac_disease GAP_LOW 0.1238 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs celiac_disease targets. Cross-check aminocaproic_acid pharmacophore against celiac_disease pathway. dasatinib alcohol_dependence GAP_LOW 0.1238 0.06666666666666667 naloxone Low-priority: Computational docking dasatinib vs alcohol_dependence targets. Cross-check dasatinib pharmacophore against alcohol_dependence pathway. ethylmorphine leprosy GAP_LOW 0.1238 0.058823529411764705 phensuximide Low-priority: Computational docking ethylmorphine vs leprosy targets. Cross-check ethylmorphine pharmacophore against leprosy pathway. valsartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1238 0.05 propafenone Low-priority: Computational docking valsartan vs idiopathic_pulmonary_fibrosis targets. Cross-check valsartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. methohexital peripheral_nervous_system_neoplasm GAP_LOW 0.1238 0.037037037037037035 lacosamide Low-priority: Computational docking methohexital vs peripheral_nervous_system_neoplasm targets. Cross-check methohexital pharmacophore against peripheral_nervous_system_neoplasm pathway. tafluprost hepatitis_b GAP_LOW 0.1238 0.03508771929824561 s-adenosylmethionine Low-priority: Computational docking tafluprost vs hepatitis_b targets. Cross-check tafluprost pharmacophore against hepatitis_b pathway. methohexital primary_biliary_cirrhosis GAP_LOW 0.1238 0.02631578947368421 bezafibrate Low-priority: Computational docking methohexital vs primary_biliary_cirrhosis targets. Cross-check methohexital pharmacophore against primary_biliary_cirrhosis pathway. abacavir pagets_disease_of_bone GAP_LOW 0.1238 0.0 ibandronate Low-priority: Computational docking abacavir vs pagets_disease_of_bone targets. Cross-check abacavir pharmacophore against pagets_disease_of_bone pathway. cinolazepam pagets_disease_of_bone GAP_LOW 0.1238 0.0 ibandronate Low-priority: Computational docking cinolazepam vs pagets_disease_of_bone targets. Cross-check cinolazepam pharmacophore against pagets_disease_of_bone pathway. diazepam pagets_disease_of_bone GAP_LOW 0.1238 0.0 ibandronate Low-priority: Computational docking diazepam vs pagets_disease_of_bone targets. Cross-check diazepam pharmacophore against pagets_disease_of_bone pathway. quinethazone pagets_disease_of_bone GAP_LOW 0.1238 0.0 ibandronate Low-priority: Computational docking quinethazone vs pagets_disease_of_bone targets. Cross-check quinethazone pharmacophore against pagets_disease_of_bone pathway. tranylcypromine pagets_disease_of_bone GAP_LOW 0.1238 0.0 ibandronate Low-priority: Computational docking tranylcypromine vs pagets_disease_of_bone targets. Cross-check tranylcypromine pharmacophore against pagets_disease_of_bone pathway. treprostinil leprosy GAP_LOW 0.1238 0.0 sulfapyridine Low-priority: Computational docking treprostinil vs leprosy targets. Cross-check treprostinil pharmacophore against leprosy pathway. salsalate liver_cancer GAP_HIGH 0.1237 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.38) diazepam stomach_cancer GAP_HIGH 0.1237 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in stomach_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) salicylate-sodium pharynx_cancer GAP_HIGH 0.1237 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in pharynx_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) bepridil meningioma GAP_HIGH 0.1237 0.3125 phenylbutazone High-priority: Binding assay bepridil→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.31) bevantolol amyotrophic_lateral_sclerosis GAP_HIGH 0.1237 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to propafenone (Jaccard=0.31) bevantolol autistic_disorder GAP_HIGH 0.1237 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in autistic_disorder cell model. Expected: similar to propafenone (Jaccard=0.31) bevantolol nicotine_dependence GAP_HIGH 0.1237 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in nicotine_dependence cell model. Expected: similar to propafenone (Jaccard=0.31) fosphenytoin hematologic_cancer GAP_HIGH 0.1237 0.2857142857142857 phensuximide High-priority: Binding assay fosphenytoin→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.29) prednisolone malignant_mesothelioma GAP_HIGH 0.1237 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in malignant_mesothelioma cell model. Expected: similar to amcinonide (Jaccard=0.29) olanzapine vascular_cancer GAP_HIGH 0.1237 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in vascular_cancer cell model. Expected: similar to cholecalciferol (Jaccard=0.25) topotecan hypertension GAP_HIGH 0.1237 0.25 tetrabenazine High-priority: Binding assay topotecan→?; validate in hypertension cell model. Expected: similar to tetrabenazine (Jaccard=0.25) ponatinib endogenous_depression GAP_HIGH 0.1237 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in endogenous_depression cell model. Expected: similar to meclizine (Jaccard=0.20) sulfamethizole glaucoma GAP_HIGH 0.1237 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.19) ephedrine uterine_fibroid GAP_HIGH 0.1237 0.17647058823529413 clozapine High-priority: Binding assay ephedrine→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.18) zafirlukast muscle_cancer GAP_HIGH 0.1237 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in muscle_cancer cell model. Expected: similar to lisinopril (Jaccard=0.18) ponatinib refractive_error GAP_HIGH 0.1237 0.15151515151515152 polythiazide High-priority: Binding assay ponatinib→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.15) ephedrine meningioma GAP_LOW 0.1237 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs meningioma targets. Cross-check ephedrine pharmacophore against meningioma pathway. hydrochlorothiazide allergic_rhinitis GAP_LOW 0.1237 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs allergic_rhinitis targets. Cross-check hydrochlorothiazide pharmacophore against allergic_rhinitis pathway. melatonin germ_cell_cancer GAP_LOW 0.1237 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs germ_cell_cancer targets. Cross-check melatonin pharmacophore against germ_cell_cancer pathway. tolbutamide stomach_cancer GAP_LOW 0.1237 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs stomach_cancer targets. Cross-check tolbutamide pharmacophore against stomach_cancer pathway. carvedilol amyotrophic_lateral_sclerosis GAP_LOW 0.1237 0.08695652173913043 pseudoephedrine Low-priority: Computational docking carvedilol vs amyotrophic_lateral_sclerosis targets. Cross-check carvedilol pharmacophore against amyotrophic_lateral_sclerosis pathway. choline lymphatic_system_cancer GAP_LOW 0.1237 0.06666666666666667 lamivudine Low-priority: Computational docking choline vs lymphatic_system_cancer targets. Cross-check choline pharmacophore against lymphatic_system_cancer pathway. latanoprost atherosclerosis GAP_LOW 0.1237 0.06666666666666667 salicylic_acid Low-priority: Computational docking latanoprost vs atherosclerosis targets. Cross-check latanoprost pharmacophore against atherosclerosis pathway. glipizide malignant_mesothelioma GAP_LOW 0.1237 0.05555555555555555 melphalan Low-priority: Computational docking glipizide vs malignant_mesothelioma targets. Cross-check glipizide pharmacophore against malignant_mesothelioma pathway. buclizine pagets_disease_of_bone GAP_LOW 0.1237 0.041666666666666664 clodronate Low-priority: Computational docking buclizine vs pagets_disease_of_bone targets. Cross-check buclizine pharmacophore against pagets_disease_of_bone pathway. doxepin liver_cancer GAP_HIGH 0.1236 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in liver_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) diazepam pancreatic_cancer GAP_HIGH 0.1236 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in pancreatic_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) oxcarbazepine sarcoma GAP_HIGH 0.1236 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in sarcoma cell model. Expected: similar to phenylbutazone (Jaccard=0.31) cyclizine membranous_glomerulonephritis GAP_HIGH 0.1236 0.2857142857142857 promethazine High-priority: Binding assay cyclizine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.29) mitiglinide sclerosing_cholangitis GAP_HIGH 0.1236 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in sclerosing_cholangitis cell model. Expected: similar to methylphenidate (Jaccard=0.29) dextroamphetamine salivary_gland_cancer GAP_HIGH 0.1236 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) glucosamine meningioma GAP_HIGH 0.1236 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.25) olanzapine obesity GAP_HIGH 0.1236 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in obesity cell model. Expected: similar to cholecalciferol (Jaccard=0.25) lapatinib ankylosing_spondylitis GAP_HIGH 0.1236 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) dimetindene thyroid_cancer GAP_HIGH 0.1236 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) testosterone malignant_glioma GAP_HIGH 0.1236 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in malignant_glioma cell model. Expected: similar to drospirenone (Jaccard=0.22) ponatinib migraine GAP_HIGH 0.1236 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in migraine cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib multiple_sclerosis GAP_HIGH 0.1236 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in multiple_sclerosis cell model. Expected: similar to meclizine (Jaccard=0.20) norelgestromin alzheimers_disease GAP_HIGH 0.1236 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) proparacaine psoriasis GAP_HIGH 0.1236 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.18) proparacaine ulcerative_colitis GAP_HIGH 0.1236 0.17647058823529413 sulfanilamide High-priority: Binding assay proparacaine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.18) ephedrine sarcoma GAP_HIGH 0.1236 0.17142857142857143 fenoprofen High-priority: Binding assay ephedrine→?; validate in sarcoma cell model. Expected: similar to fenoprofen (Jaccard=0.17) alfacalcidol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1236 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) nandrolone_phenpropionate membranous_glomerulonephritis GAP_HIGH 0.1236 0.16666666666666666 bumetanide High-priority: Binding assay nandrolone_phenpropionate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.17) codeine urinary_bladder_cancer GAP_HIGH 0.1236 0.15789473684210525 isopropamide High-priority: Binding assay codeine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.16) thalidomide alopecia_areata GAP_HIGH 0.1236 0.15384615384615385 dexamethasone High-priority: Binding assay thalidomide→?; validate in alopecia_areata cell model. Expected: similar to dexamethasone (Jaccard=0.15) anisindione muscle_cancer GAP_LOW 0.1236 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs muscle_cancer targets. Cross-check anisindione pharmacophore against muscle_cancer pathway. dapsone brain_cancer GAP_LOW 0.1236 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs brain_cancer targets. Cross-check dapsone pharmacophore against brain_cancer pathway. dapsone intracranial_aneurysm GAP_LOW 0.1236 0.14285714285714285 etidronic_acid Low-priority: Computational docking dapsone vs intracranial_aneurysm targets. Cross-check dapsone pharmacophore against intracranial_aneurysm pathway. phenindamine bone_cancer GAP_LOW 0.1236 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs bone_cancer targets. Cross-check phenindamine pharmacophore against bone_cancer pathway. vapreotide gout GAP_LOW 0.1236 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs gout targets. Cross-check vapreotide pharmacophore against gout pathway. vapreotide primary_biliary_cirrhosis GAP_LOW 0.1236 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs primary_biliary_cirrhosis targets. Cross-check vapreotide pharmacophore against primary_biliary_cirrhosis pathway. captopril chronic_obstructive_pulmonary_disease GAP_LOW 0.1236 0.08333333333333333 epinephrine Low-priority: Computational docking captopril vs chronic_obstructive_pulmonary_disease targets. Cross-check captopril pharmacophore against chronic_obstructive_pulmonary_disease pathway. glipizide thyroid_cancer GAP_LOW 0.1236 0.07142857142857142 procarbazine Low-priority: Computational docking glipizide vs thyroid_cancer targets. Cross-check glipizide pharmacophore against thyroid_cancer pathway. methocarbamol esophageal_cancer GAP_LOW 0.1236 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs esophageal_cancer targets. Cross-check methocarbamol pharmacophore against esophageal_cancer pathway. sulpiride germ_cell_cancer GAP_LOW 0.1236 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs germ_cell_cancer targets. Cross-check sulpiride pharmacophore against germ_cell_cancer pathway. orlistat restless_legs_syndrome GAP_LOW 0.1236 0.0 flurazepam Low-priority: Computational docking orlistat vs restless_legs_syndrome targets. Cross-check orlistat pharmacophore against restless_legs_syndrome pathway. estrone breast_cancer GAP_HIGH 0.1235 0.4 mestranol High-priority: Binding assay estrone→?; validate in breast_cancer cell model. Expected: similar to mestranol (Jaccard=0.40) salsalate peripheral_nervous_system_neoplasm GAP_HIGH 0.1235 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.38) doxepin celiac_disease GAP_HIGH 0.1235 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.33) nortriptyline sclerosing_cholangitis GAP_HIGH 0.1235 0.3333333333333333 phenindamine High-priority: Binding assay nortriptyline→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenindamine (Jaccard=0.33) temazepam mediastinal_cancer GAP_HIGH 0.1235 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) naproxen atopic_dermatitis GAP_HIGH 0.1235 0.3181818181818182 sotalol High-priority: Binding assay naproxen→?; validate in atopic_dermatitis cell model. Expected: similar to sotalol (Jaccard=0.32) diazepam hematologic_cancer GAP_HIGH 0.1235 0.3125 pirenzepine High-priority: Binding assay diazepam→?; validate in hematologic_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.31) thiothixene alcohol_dependence GAP_HIGH 0.1235 0.28 temazepam High-priority: Binding assay thiothixene→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.28) bromodiphenhydramine hematologic_cancer GAP_HIGH 0.1235 0.2727272727272727 carbinoxamine High-priority: Binding assay bromodiphenhydramine→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.27) butenafine uterine_fibroid GAP_HIGH 0.1235 0.25 apraclonidine High-priority: Binding assay butenafine→?; validate in uterine_fibroid cell model. Expected: similar to apraclonidine (Jaccard=0.25) olanzapine systemic_scleroderma GAP_HIGH 0.1235 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in systemic_scleroderma cell model. Expected: similar to cholecalciferol (Jaccard=0.25) testosterone kidney_cancer GAP_HIGH 0.1235 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in kidney_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) procarbazine focal_segmental_glomerulosclerosis GAP_HIGH 0.1235 0.21212121212121213 fenoprofen High-priority: Binding assay procarbazine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.21) norelgestromin nicotine_dependence GAP_HIGH 0.1235 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) dapsone salivary_gland_cancer GAP_HIGH 0.1235 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in salivary_gland_cancer cell model. Expected: similar to methyclothiazide (Jaccard=0.18) zafirlukast alzheimers_disease GAP_HIGH 0.1235 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in alzheimers_disease cell model. Expected: similar to lisinopril (Jaccard=0.18) pomalidomide head_and_neck_cancer GAP_HIGH 0.1235 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) pomalidomide malignant_glioma GAP_HIGH 0.1235 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.17) practolol chronic_kidney_failure GAP_HIGH 0.1235 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in chronic_kidney_failure cell model. Expected: similar to midazolam (Jaccard=0.17) anisindione ocular_cancer GAP_LOW 0.1235 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs ocular_cancer targets. Cross-check anisindione pharmacophore against ocular_cancer pathway. hydrochlorothiazide ovarian_cancer GAP_LOW 0.1235 0.14285714285714285 pimozide Low-priority: Computational docking hydrochlorothiazide vs ovarian_cancer targets. Cross-check hydrochlorothiazide pharmacophore against ovarian_cancer pathway. ephedrine kidney_cancer GAP_LOW 0.1235 0.13333333333333333 aminoglutethimide Low-priority: Computational docking ephedrine vs kidney_cancer targets. Cross-check ephedrine pharmacophore against kidney_cancer pathway. aminocaproic_acid type_2_diabetes_mellitus GAP_LOW 0.1235 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs type_2_diabetes_mellitus targets. Cross-check aminocaproic_acid pharmacophore against type_2_diabetes_mellitus pathway. ritodrine atherosclerosis GAP_LOW 0.1235 0.1111111111111111 phenelzine Low-priority: Computational docking ritodrine vs atherosclerosis targets. Cross-check ritodrine pharmacophore against atherosclerosis pathway. travoprost osteoarthritis GAP_LOW 0.1235 0.1 prednicarbate Low-priority: Computational docking travoprost vs osteoarthritis targets. Cross-check travoprost pharmacophore against osteoarthritis pathway. l-carnitine gout GAP_LOW 0.1235 0.09090909090909091 cyclandelate Low-priority: Computational docking l-carnitine vs gout targets. Cross-check l-carnitine pharmacophore against gout pathway. isradipine narcolepsy GAP_LOW 0.1235 0.08333333333333333 meclizine Low-priority: Computational docking isradipine vs narcolepsy targets. Cross-check isradipine pharmacophore against narcolepsy pathway. irbesartan migraine GAP_LOW 0.1235 0.058823529411764705 phenelzine Low-priority: Computational docking irbesartan vs migraine targets. Cross-check irbesartan pharmacophore against migraine pathway. tetracycline psoriasis GAP_LOW 0.1235 0.05 clonidine Low-priority: Computational docking tetracycline vs psoriasis targets. Cross-check tetracycline pharmacophore against psoriasis pathway. tetracycline uterine_cancer GAP_LOW 0.1235 0.05 clonidine Low-priority: Computational docking tetracycline vs uterine_cancer targets. Cross-check tetracycline pharmacophore against uterine_cancer pathway. carbinoxamine hypothyroidism GAP_LOW 0.1235 0.0 methimazole Low-priority: Computational docking carbinoxamine vs hypothyroidism targets. Cross-check carbinoxamine pharmacophore against hypothyroidism pathway. olsalazine hypothyroidism GAP_LOW 0.1235 0.0 methimazole Low-priority: Computational docking olsalazine vs hypothyroidism targets. Cross-check olsalazine pharmacophore against hypothyroidism pathway. orlistat vitiligo GAP_LOW 0.1235 0.0 hydrocortisone Low-priority: Computational docking orlistat vs vitiligo targets. Cross-check orlistat pharmacophore against vitiligo pathway. modafinil parkinsons_disease GAP_HIGH 0.1234 0.45454545454545453 diphenylpyraline High-priority: Binding assay modafinil→?; validate in parkinsons_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.45) mazindol kidney_cancer GAP_HIGH 0.1234 0.34146341463414637 quinacrine High-priority: Binding assay mazindol→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.34) diazepam uterine_cancer GAP_HIGH 0.1234 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in uterine_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) temazepam thymus_cancer GAP_HIGH 0.1234 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) cyclizine thyroid_cancer GAP_HIGH 0.1234 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) phensuximide malignant_mesothelioma GAP_HIGH 0.1234 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.31) azatadine thyroid_cancer GAP_HIGH 0.1234 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in thyroid_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) bevantolol coronary_artery_disease GAP_HIGH 0.1234 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in coronary_artery_disease cell model. Expected: similar to propranolol (Jaccard=0.29) fulvestrant vitiligo GAP_HIGH 0.1234 0.2727272727272727 megestrol_acetate High-priority: Binding assay fulvestrant→?; validate in vitiligo cell model. Expected: similar to megestrol_acetate (Jaccard=0.27) floctafenine alzheimers_disease GAP_HIGH 0.1234 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in alzheimers_disease cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) floctafenine parkinsons_disease GAP_HIGH 0.1234 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in parkinsons_disease cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) olanzapine uterine_fibroid GAP_HIGH 0.1234 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in uterine_fibroid cell model. Expected: similar to aripiprazole (Jaccard=0.25) lapatinib epilepsy_syndrome GAP_HIGH 0.1234 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) testosterone nephrolithiasis GAP_HIGH 0.1234 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in nephrolithiasis cell model. Expected: similar to drospirenone (Jaccard=0.22) difenoxin liver_cancer GAP_HIGH 0.1234 0.20833333333333334 naftifine High-priority: Binding assay difenoxin→?; validate in liver_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) imatinib prostate_cancer GAP_HIGH 0.1234 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in prostate_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) medroxyprogesterone_acetate membranous_glomerulonephritis GAP_HIGH 0.1234 0.2 bumetanide High-priority: Binding assay medroxyprogesterone_acetate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.20) dienestrol skin_cancer GAP_HIGH 0.1234 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in skin_cancer cell model. Expected: similar to estrone (Jaccard=0.18) naloxone gout GAP_HIGH 0.1234 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in gout cell model. Expected: similar to dexamethasone (Jaccard=0.18) zafirlukast autistic_disorder GAP_HIGH 0.1234 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in autistic_disorder cell model. Expected: similar to lisinopril (Jaccard=0.18) zafirlukast nicotine_dependence GAP_HIGH 0.1234 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in nicotine_dependence cell model. Expected: similar to lisinopril (Jaccard=0.18) zafirlukast parkinsons_disease GAP_HIGH 0.1234 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in parkinsons_disease cell model. Expected: similar to lisinopril (Jaccard=0.18) ethylmorphine esophageal_cancer GAP_HIGH 0.1234 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) mepenzolate malaria GAP_HIGH 0.1234 0.16 modafinil High-priority: Binding assay mepenzolate→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.16) tolbutamide migraine GAP_LOW 0.1234 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs migraine targets. Cross-check tolbutamide pharmacophore against migraine pathway. halazepam prostate_cancer GAP_LOW 0.1234 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs prostate_cancer targets. Cross-check halazepam pharmacophore against prostate_cancer pathway. aminocaproic_acid vitiligo GAP_LOW 0.1234 0.11538461538461539 dextroamphetamine Low-priority: Computational docking aminocaproic_acid vs vitiligo targets. Cross-check aminocaproic_acid pharmacophore against vitiligo pathway. vorinostat crohns_disease GAP_LOW 0.1234 0.1111111111111111 bromodiphenhydramine Low-priority: Computational docking vorinostat vs crohns_disease targets. Cross-check vorinostat pharmacophore against crohns_disease pathway. methsuximide glaucoma GAP_LOW 0.1234 0.0967741935483871 pseudoephedrine Low-priority: Computational docking methsuximide vs glaucoma targets. Cross-check methsuximide pharmacophore against glaucoma pathway. choline focal_segmental_glomerulosclerosis GAP_LOW 0.1234 0.09090909090909091 floctafenine Low-priority: Computational docking choline vs focal_segmental_glomerulosclerosis targets. Cross-check choline pharmacophore against focal_segmental_glomerulosclerosis pathway. zidovudine bone_cancer GAP_LOW 0.1234 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs bone_cancer targets. Cross-check zidovudine pharmacophore against bone_cancer pathway. moexipril lymphatic_system_cancer GAP_LOW 0.1234 0.07692307692307693 glucosamine Low-priority: Computational docking moexipril vs lymphatic_system_cancer targets. Cross-check moexipril pharmacophore against lymphatic_system_cancer pathway. arformoterol dilated_cardiomyopathy GAP_LOW 0.1234 0.06666666666666667 medrysone Low-priority: Computational docking arformoterol vs dilated_cardiomyopathy targets. Cross-check arformoterol pharmacophore against dilated_cardiomyopathy pathway. benzocaine alcohol_dependence GAP_LOW 0.1234 0.0625 ethylmorphine Low-priority: Computational docking benzocaine vs alcohol_dependence targets. Cross-check benzocaine pharmacophore against alcohol_dependence pathway. thiothixene vascular_cancer GAP_HIGH 0.1233 0.45454545454545453 pipotiazine High-priority: Binding assay thiothixene→?; validate in vascular_cancer cell model. Expected: similar to pipotiazine (Jaccard=0.45) phentermine colon_cancer GAP_HIGH 0.1233 0.30434782608695654 phenacemide High-priority: Binding assay phentermine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.30) phenprocoumon hematologic_cancer GAP_HIGH 0.1233 0.3 reboxetine High-priority: Binding assay phenprocoumon→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.30) cinnarizine hypertension GAP_HIGH 0.1233 0.2857142857142857 mepenzolate High-priority: Binding assay cinnarizine→?; validate in hypertension cell model. Expected: similar to mepenzolate (Jaccard=0.29) ethinyl_estradiol type_1_diabetes_mellitus GAP_HIGH 0.1233 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.29) midazolam lung_cancer GAP_HIGH 0.1233 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in lung_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) midazolam rectum_cancer GAP_HIGH 0.1233 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in rectum_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) erlotinib esophageal_cancer GAP_HIGH 0.1233 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in esophageal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) floctafenine autistic_disorder GAP_HIGH 0.1233 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in autistic_disorder cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) floctafenine nicotine_dependence GAP_HIGH 0.1233 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in nicotine_dependence cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) drostanolone hypertension GAP_HIGH 0.1233 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in hypertension cell model. Expected: similar to progesterone (Jaccard=0.26) oxazepam thyroid_cancer GAP_HIGH 0.1233 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) imatinib mediastinal_cancer GAP_HIGH 0.1233 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in mediastinal_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) naloxone atopic_dermatitis GAP_HIGH 0.1233 0.2 epinephrine High-priority: Binding assay naloxone→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.20) naloxone hypertension GAP_HIGH 0.1233 0.2 clenbuterol High-priority: Binding assay naloxone→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=0.20) naloxone stomach_cancer GAP_HIGH 0.1233 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in stomach_cancer cell model. Expected: similar to pazopanib (Jaccard=0.20) dimetindene esophageal_cancer GAP_HIGH 0.1233 0.18181818181818182 tamoxifen High-priority: Binding assay dimetindene→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) nilotinib alzheimers_disease GAP_HIGH 0.1233 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) nilotinib parkinsons_disease GAP_HIGH 0.1233 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) zafirlukast amyotrophic_lateral_sclerosis GAP_HIGH 0.1233 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to lisinopril (Jaccard=0.18) dasatinib narcolepsy GAP_HIGH 0.1233 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in narcolepsy cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) alfacalcidol asthma GAP_HIGH 0.1233 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in asthma cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol breast_cancer GAP_HIGH 0.1233 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in breast_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol conduct_disorder GAP_HIGH 0.1233 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in conduct_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol panic_disorder GAP_HIGH 0.1233 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in panic_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol schizophrenia GAP_HIGH 0.1233 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in schizophrenia cell model. Expected: similar to pimozide (Jaccard=0.17) melatonin ocular_cancer GAP_HIGH 0.1233 0.16666666666666666 metaraminol High-priority: Binding assay melatonin→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.17) pomalidomide nephrolithiasis GAP_HIGH 0.1233 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in nephrolithiasis cell model. Expected: similar to doxorubicin (Jaccard=0.17) entecavir germ_cell_cancer GAP_HIGH 0.1233 0.15384615384615385 gemcitabine High-priority: Binding assay entecavir→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.15) tolbutamide sarcoma GAP_LOW 0.1233 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs sarcoma targets. Cross-check tolbutamide pharmacophore against sarcoma pathway. l-citrulline meningioma GAP_LOW 0.1233 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs meningioma targets. Cross-check l-citrulline pharmacophore against meningioma pathway. aminocaproic_acid malignant_mesothelioma GAP_LOW 0.1233 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs malignant_mesothelioma targets. Cross-check aminocaproic_acid pharmacophore against malignant_mesothelioma pathway. quinacrine celiac_disease GAP_LOW 0.1233 0.08571428571428572 pseudoephedrine Low-priority: Computational docking quinacrine vs celiac_disease targets. Cross-check quinacrine pharmacophore against celiac_disease pathway. agomelatine acquired_immunodeficiency_syndrome GAP_LOW 0.1233 0.08333333333333333 alvimopan Low-priority: Computational docking agomelatine vs acquired_immunodeficiency_syndrome targets. Cross-check agomelatine pharmacophore against acquired_immunodeficiency_syndrome pathway. travoprost penile_cancer GAP_LOW 0.1233 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs penile_cancer targets. Cross-check travoprost pharmacophore against penile_cancer pathway. ritodrine alcohol_dependence GAP_LOW 0.1233 0.07692307692307693 mazindol Low-priority: Computational docking ritodrine vs alcohol_dependence targets. Cross-check ritodrine pharmacophore against alcohol_dependence pathway. triamterene lymphatic_system_cancer GAP_LOW 0.1233 0.06666666666666667 lamivudine Low-priority: Computational docking triamterene vs lymphatic_system_cancer targets. Cross-check triamterene pharmacophore against lymphatic_system_cancer pathway. l-ornithine germ_cell_cancer GAP_LOW 0.1233 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs germ_cell_cancer targets. Cross-check l-ornithine pharmacophore against germ_cell_cancer pathway. nisoldipine type_1_diabetes_mellitus GAP_LOW 0.1233 0.0625 exemestane Low-priority: Computational docking nisoldipine vs type_1_diabetes_mellitus targets. Cross-check nisoldipine pharmacophore against type_1_diabetes_mellitus pathway. treprostinil atherosclerosis GAP_LOW 0.1233 0.058823529411764705 salsalate Low-priority: Computational docking treprostinil vs atherosclerosis targets. Cross-check treprostinil pharmacophore against atherosclerosis pathway. aminocaproic_acid lymphatic_system_cancer GAP_LOW 0.1233 0.045454545454545456 aciclovir Low-priority: Computational docking aminocaproic_acid vs lymphatic_system_cancer targets. Cross-check aminocaproic_acid pharmacophore against lymphatic_system_cancer pathway. methohexital esophageal_cancer GAP_LOW 0.1233 0.0 hydrocortisone Low-priority: Computational docking methohexital vs esophageal_cancer targets. Cross-check methohexital pharmacophore against esophageal_cancer pathway. orlistat rheumatoid_arthritis GAP_LOW 0.1233 0.0 flurazepam Low-priority: Computational docking orlistat vs rheumatoid_arthritis targets. Cross-check orlistat pharmacophore against rheumatoid_arthritis pathway. phenobarbital esophageal_cancer GAP_LOW 0.1233 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs esophageal_cancer targets. Cross-check phenobarbital pharmacophore against esophageal_cancer pathway. quazepam esophageal_cancer GAP_LOW 0.1233 0.0 hydrocortisone Low-priority: Computational docking quazepam vs esophageal_cancer targets. Cross-check quazepam pharmacophore against esophageal_cancer pathway. tetracycline esophageal_cancer GAP_LOW 0.1233 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs esophageal_cancer targets. Cross-check tetracycline pharmacophore against esophageal_cancer pathway. thiamylal esophageal_cancer GAP_LOW 0.1233 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs esophageal_cancer targets. Cross-check thiamylal pharmacophore against esophageal_cancer pathway. phentermine stomach_cancer GAP_HIGH 0.1232 0.30434782608695654 phenacemide High-priority: Binding assay phentermine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.30) dydrogesterone malignant_mesothelioma GAP_HIGH 0.1232 0.2857142857142857 betamethasone High-priority: Binding assay dydrogesterone→?; validate in malignant_mesothelioma cell model. Expected: similar to betamethasone (Jaccard=0.29) indecainide prostate_cancer GAP_HIGH 0.1232 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) arbutamine autistic_disorder GAP_HIGH 0.1232 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) arbutamine nicotine_dependence GAP_HIGH 0.1232 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.25) pimozide polycystic_ovary_syndrome GAP_HIGH 0.1232 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to ezetimibe (Jaccard=0.25) pimozide type_2_diabetes_mellitus GAP_HIGH 0.1232 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to ezetimibe (Jaccard=0.25) enalapril multiple_sclerosis GAP_HIGH 0.1232 0.23076923076923078 moexipril High-priority: Binding assay enalapril→?; validate in multiple_sclerosis cell model. Expected: similar to moexipril (Jaccard=0.23) flunarizine melanoma GAP_HIGH 0.1232 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.23) mepyramine sarcoma GAP_HIGH 0.1232 0.2222222222222222 reboxetine High-priority: Binding assay mepyramine→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.22) testosterone celiac_disease GAP_HIGH 0.1232 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in celiac_disease cell model. Expected: similar to drospirenone (Jaccard=0.22) ethylmorphine ulcerative_colitis GAP_HIGH 0.1232 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in ulcerative_colitis cell model. Expected: similar to isopropamide (Jaccard=0.21) imatinib gout GAP_HIGH 0.1232 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.21) imatinib primary_biliary_cirrhosis GAP_HIGH 0.1232 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to sorafenib (Jaccard=0.21) naloxone pancreatic_cancer GAP_HIGH 0.1232 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.20) nilotinib autistic_disorder GAP_HIGH 0.1232 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in autistic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) alfacalcidol allergic_rhinitis GAP_HIGH 0.1232 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in allergic_rhinitis cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol atopic_dermatitis GAP_HIGH 0.1232 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in atopic_dermatitis cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol colon_cancer GAP_HIGH 0.1232 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in colon_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) dapsone prostate_cancer GAP_HIGH 0.1232 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) fluspirilene focal_segmental_glomerulosclerosis GAP_HIGH 0.1232 0.16666666666666666 perphenazine High-priority: Binding assay fluspirilene→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to perphenazine (Jaccard=0.17) ospemifene brain_cancer GAP_HIGH 0.1232 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in brain_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene intracranial_aneurysm GAP_HIGH 0.1232 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in intracranial_aneurysm cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) phenylephrine chronic_kidney_failure GAP_HIGH 0.1232 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in chronic_kidney_failure cell model. Expected: similar to ethopropazine (Jaccard=0.16) anisindione urinary_bladder_cancer GAP_LOW 0.1232 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs urinary_bladder_cancer targets. Cross-check anisindione pharmacophore against urinary_bladder_cancer pathway. ketorolac dilated_cardiomyopathy GAP_LOW 0.1232 0.14285714285714285 pefloxacin Low-priority: Computational docking ketorolac vs dilated_cardiomyopathy targets. Cross-check ketorolac pharmacophore against dilated_cardiomyopathy pathway. vitamin_a nephrolithiasis GAP_LOW 0.1232 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs nephrolithiasis targets. Cross-check vitamin_a pharmacophore against nephrolithiasis pathway. halazepam mediastinal_cancer GAP_LOW 0.1232 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs mediastinal_cancer targets. Cross-check halazepam pharmacophore against mediastinal_cancer pathway. ospemifene dilated_cardiomyopathy GAP_LOW 0.1232 0.08695652173913043 rimexolone Low-priority: Computational docking ospemifene vs dilated_cardiomyopathy targets. Cross-check ospemifene pharmacophore against dilated_cardiomyopathy pathway. glisoxepide thyroid_cancer GAP_LOW 0.1232 0.06666666666666667 procarbazine Low-priority: Computational docking glisoxepide vs thyroid_cancer targets. Cross-check glisoxepide pharmacophore against thyroid_cancer pathway. l-ornithine type_1_diabetes_mellitus GAP_LOW 0.1232 0.05 rimexolone Low-priority: Computational docking l-ornithine vs type_1_diabetes_mellitus targets. Cross-check l-ornithine pharmacophore against type_1_diabetes_mellitus pathway. benazepril azoospermia GAP_LOW 0.1232 0.045454545454545456 pseudoephedrine Low-priority: Computational docking benazepril vs azoospermia targets. Cross-check benazepril pharmacophore against azoospermia pathway. tetracycline urinary_bladder_cancer GAP_LOW 0.1232 0.045454545454545456 propranolol Low-priority: Computational docking tetracycline vs urinary_bladder_cancer targets. Cross-check tetracycline pharmacophore against urinary_bladder_cancer pathway. amodiaquine hepatitis_b GAP_LOW 0.1232 0.030303030303030304 ribavirin Low-priority: Computational docking amodiaquine vs hepatitis_b targets. Cross-check amodiaquine pharmacophore against hepatitis_b pathway. modafinil attention_deficit_hyperactivity_disorder GAP_HIGH 0.1231 0.45454545454545453 diphenylpyraline High-priority: Binding assay modafinil→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to diphenylpyraline (Jaccard=0.45) trimipramine duodenum_cancer GAP_HIGH 0.1231 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in duodenum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) trimipramine gallbladder_cancer GAP_HIGH 0.1231 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in gallbladder_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) salicylate-sodium salivary_gland_cancer GAP_HIGH 0.1231 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in salivary_gland_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) bevantolol breast_cancer GAP_HIGH 0.1231 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in breast_cancer cell model. Expected: similar to propafenone (Jaccard=0.31) bevantolol conduct_disorder GAP_HIGH 0.1231 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in conduct_disorder cell model. Expected: similar to propafenone (Jaccard=0.31) midazolam liver_cancer GAP_HIGH 0.1231 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) mitiglinide ankylosing_spondylitis GAP_HIGH 0.1231 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in ankylosing_spondylitis cell model. Expected: similar to methylphenidate (Jaccard=0.29) arbutamine urinary_bladder_cancer GAP_HIGH 0.1231 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.25) olanzapine polycystic_ovary_syndrome GAP_HIGH 0.1231 0.25 aripiprazole High-priority: Binding assay olanzapine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to aripiprazole (Jaccard=0.25) olanzapine type_2_diabetes_mellitus GAP_HIGH 0.1231 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to cholecalciferol (Jaccard=0.25) diethylpropion prostate_cancer GAP_HIGH 0.1231 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) dimetindene muscle_cancer GAP_HIGH 0.1231 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.22) flunarizine penile_cancer GAP_HIGH 0.1231 0.21739130434782608 diphenylpyraline High-priority: Binding assay flunarizine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.22) ethylmorphine sarcoma GAP_HIGH 0.1231 0.21052631578947367 isopropamide High-priority: Binding assay ethylmorphine→?; validate in sarcoma cell model. Expected: similar to isopropamide (Jaccard=0.21) imatinib thymus_cancer GAP_HIGH 0.1231 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in thymus_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) atropine malaria GAP_HIGH 0.1231 0.2 sulfanilamide High-priority: Binding assay atropine→?; validate in malaria cell model. Expected: similar to sulfanilamide (Jaccard=0.20) l-tryptophan penile_cancer GAP_HIGH 0.1231 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in penile_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) naloxone psoriasis GAP_HIGH 0.1231 0.2 epinephrine High-priority: Binding assay naloxone→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.20) olanzapine chronic_kidney_failure GAP_HIGH 0.1231 0.2 zuclopenthixol High-priority: Binding assay olanzapine→?; validate in chronic_kidney_failure cell model. Expected: similar to zuclopenthixol (Jaccard=0.20) dapsone parkinsons_disease GAP_HIGH 0.1231 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in parkinsons_disease cell model. Expected: similar to methyclothiazide (Jaccard=0.18) zafirlukast attention_deficit_hyperactivity_disorder GAP_HIGH 0.1231 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to lisinopril (Jaccard=0.18) alfacalcidol bipolar_disorder GAP_HIGH 0.1231 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in bipolar_disorder cell model. Expected: similar to pimozide (Jaccard=0.17) alfacalcidol endogenous_depression GAP_HIGH 0.1231 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in endogenous_depression cell model. Expected: similar to pimozide (Jaccard=0.17) chlorphenesin larynx_cancer GAP_HIGH 0.1231 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in larynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) anisindione peripheral_nervous_system_neoplasm GAP_LOW 0.1231 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs peripheral_nervous_system_neoplasm targets. Cross-check anisindione pharmacophore against peripheral_nervous_system_neoplasm pathway. teniposide dilated_cardiomyopathy GAP_LOW 0.1231 0.14285714285714285 ciprofloxacin Low-priority: Computational docking teniposide vs dilated_cardiomyopathy targets. Cross-check teniposide pharmacophore against dilated_cardiomyopathy pathway. tolazoline esophageal_cancer GAP_LOW 0.1231 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs esophageal_cancer targets. Cross-check tolazoline pharmacophore against esophageal_cancer pathway. zolpidem creutzfeldt-jakob_disease GAP_LOW 0.1231 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs creutzfeldt-jakob_disease targets. Cross-check zolpidem pharmacophore against creutzfeldt-jakob_disease pathway. halazepam thymus_cancer GAP_LOW 0.1231 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs thymus_cancer targets. Cross-check halazepam pharmacophore against thymus_cancer pathway. l-aspartic_acid creutzfeldt-jakob_disease GAP_LOW 0.1231 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs creutzfeldt-jakob_disease targets. Cross-check l-aspartic_acid pharmacophore against creutzfeldt-jakob_disease pathway. l-asparagine idiopathic_pulmonary_fibrosis GAP_LOW 0.1231 0.07894736842105263 acetylcysteine Low-priority: Computational docking l-asparagine vs idiopathic_pulmonary_fibrosis targets. Cross-check l-asparagine pharmacophore against idiopathic_pulmonary_fibrosis pathway. anisindione alcohol_dependence GAP_LOW 0.1231 0.07142857142857142 temazepam Low-priority: Computational docking anisindione vs alcohol_dependence targets. Cross-check anisindione pharmacophore against alcohol_dependence pathway. l-citrulline hepatitis_b GAP_LOW 0.1231 0.07142857142857142 glucosamine Low-priority: Computational docking l-citrulline vs hepatitis_b targets. Cross-check l-citrulline pharmacophore against hepatitis_b pathway. sulfanilamide alcohol_dependence GAP_LOW 0.1231 0.07142857142857142 midazolam Low-priority: Computational docking sulfanilamide vs alcohol_dependence targets. Cross-check sulfanilamide pharmacophore against alcohol_dependence pathway. candesartan duodenum_cancer GAP_LOW 0.1231 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs duodenum_cancer targets. Cross-check candesartan pharmacophore against duodenum_cancer pathway. candesartan gallbladder_cancer GAP_LOW 0.1231 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs gallbladder_cancer targets. Cross-check candesartan pharmacophore against gallbladder_cancer pathway. acepromazine hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking acepromazine vs hypothyroidism targets. Cross-check acepromazine pharmacophore against hypothyroidism pathway. chlorpromazine hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking chlorpromazine vs hypothyroidism targets. Cross-check chlorpromazine pharmacophore against hypothyroidism pathway. clomipramine hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking clomipramine vs hypothyroidism targets. Cross-check clomipramine pharmacophore against hypothyroidism pathway. dihomo-gamma-linolenic_acid azoospermia GAP_LOW 0.1231 0.0 phenylbutazone Low-priority: Computational docking dihomo-gamma-linolenic_acid vs azoospermia targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against azoospermia pathway. lubiprostone azoospermia GAP_LOW 0.1231 0.0 phenylbutazone Low-priority: Computational docking lubiprostone vs azoospermia targets. Cross-check lubiprostone pharmacophore against azoospermia pathway. moricizine hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking moricizine vs hypothyroidism targets. Cross-check moricizine pharmacophore against hypothyroidism pathway. nateglinide hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking nateglinide vs hypothyroidism targets. Cross-check nateglinide pharmacophore against hypothyroidism pathway. prednisone hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking prednisone vs hypothyroidism targets. Cross-check prednisone pharmacophore against hypothyroidism pathway. propranolol hypothyroidism GAP_LOW 0.1231 0.0 methimazole Low-priority: Computational docking propranolol vs hypothyroidism targets. Cross-check propranolol pharmacophore against hypothyroidism pathway. promazine penile_cancer GAP_HIGH 0.123 0.41379310344827586 methadone High-priority: Binding assay promazine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.41) salicylate-sodium muscle_cancer GAP_HIGH 0.123 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in muscle_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) oxcarbazepine vascular_cancer GAP_HIGH 0.123 0.3125 phenylbutazone High-priority: Binding assay oxcarbazepine→?; validate in vascular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) bevantolol allergic_rhinitis GAP_HIGH 0.123 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in allergic_rhinitis cell model. Expected: similar to propafenone (Jaccard=0.31) bevantolol bipolar_disorder GAP_HIGH 0.123 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in bipolar_disorder cell model. Expected: similar to propafenone (Jaccard=0.31) cyclizine muscle_cancer GAP_HIGH 0.123 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) indecainide mediastinal_cancer GAP_HIGH 0.123 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) dextroamphetamine urinary_bladder_cancer GAP_HIGH 0.123 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) drostanolone sarcoma GAP_HIGH 0.123 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in sarcoma cell model. Expected: similar to progesterone (Jaccard=0.26) olanzapine vitiligo GAP_HIGH 0.123 0.25 haloperidol High-priority: Binding assay olanzapine→?; validate in vitiligo cell model. Expected: similar to haloperidol (Jaccard=0.25) paclitaxel membranous_glomerulonephritis GAP_HIGH 0.123 0.25 bumetanide High-priority: Binding assay paclitaxel→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.25) phenformin liver_cancer GAP_HIGH 0.123 0.2222222222222222 mitiglinide High-priority: Binding assay phenformin→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.22) antazoline focal_segmental_glomerulosclerosis GAP_HIGH 0.123 0.21428571428571427 promethazine High-priority: Binding assay antazoline→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.21) estazolam azoospermia GAP_HIGH 0.123 0.2 chlorpromazine High-priority: Binding assay estazolam→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.20) naloxone ovarian_cancer GAP_HIGH 0.123 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in ovarian_cancer cell model. Expected: similar to pazopanib (Jaccard=0.20) pimozide refractive_error GAP_HIGH 0.123 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in refractive_error cell model. Expected: similar to diclofenamide (Jaccard=0.20) selegiline germ_cell_cancer GAP_HIGH 0.123 0.2 topotecan High-priority: Binding assay selegiline→?; validate in germ_cell_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) warfarin leprosy GAP_HIGH 0.123 0.2 phenmetrazine High-priority: Binding assay warfarin→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.20) norelgestromin panic_disorder GAP_HIGH 0.123 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) dapsone amyotrophic_lateral_sclerosis GAP_HIGH 0.123 0.18181818181818182 quinethazone High-priority: Binding assay dapsone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.18) dapsone autistic_disorder GAP_HIGH 0.123 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in autistic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.18) dienestrol systemic_scleroderma GAP_HIGH 0.123 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in systemic_scleroderma cell model. Expected: similar to estrone (Jaccard=0.18) nilotinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.123 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) tamsulosin primary_biliary_cirrhosis GAP_HIGH 0.123 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.17) alfacalcidol ovarian_cancer GAP_HIGH 0.123 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in ovarian_cancer cell model. Expected: similar to pimozide (Jaccard=0.17) dapsone mediastinal_cancer GAP_HIGH 0.123 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) quinacrine meningioma GAP_LOW 0.123 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs meningioma targets. Cross-check quinacrine pharmacophore against meningioma pathway. quinestrol narcolepsy GAP_LOW 0.123 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs narcolepsy targets. Cross-check quinestrol pharmacophore against narcolepsy pathway. sulpiride pharynx_cancer GAP_LOW 0.123 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs pharynx_cancer targets. Cross-check sulpiride pharmacophore against pharynx_cancer pathway. sulpiride penile_cancer GAP_LOW 0.123 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs penile_cancer targets. Cross-check sulpiride pharmacophore against penile_cancer pathway. tofisopam type_1_diabetes_mellitus GAP_LOW 0.123 0.05555555555555555 lisinopril Low-priority: Computational docking tofisopam vs type_1_diabetes_mellitus targets. Cross-check tofisopam pharmacophore against type_1_diabetes_mellitus pathway. glisoxepide malignant_mesothelioma GAP_LOW 0.123 0.05263157894736842 melphalan Low-priority: Computational docking glisoxepide vs malignant_mesothelioma targets. Cross-check glisoxepide pharmacophore against malignant_mesothelioma pathway. dihomo-gamma-linolenic_acid narcolepsy GAP_LOW 0.123 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs narcolepsy targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against narcolepsy pathway. aspartame pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking aspartame vs pagets_disease_of_bone targets. Cross-check aspartame pharmacophore against pagets_disease_of_bone pathway. chloroprocaine pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking chloroprocaine vs pagets_disease_of_bone targets. Cross-check chloroprocaine pharmacophore against pagets_disease_of_bone pathway. floctafenine pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking floctafenine vs pagets_disease_of_bone targets. Cross-check floctafenine pharmacophore against pagets_disease_of_bone pathway. indapamide pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking indapamide vs pagets_disease_of_bone targets. Cross-check indapamide pharmacophore against pagets_disease_of_bone pathway. nitrazepam pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking nitrazepam vs pagets_disease_of_bone targets. Cross-check nitrazepam pharmacophore against pagets_disease_of_bone pathway. orlistat psoriatic_arthritis GAP_LOW 0.123 0.0 hydrocortisone Low-priority: Computational docking orlistat vs psoriatic_arthritis targets. Cross-check orlistat pharmacophore against psoriatic_arthritis pathway. procaine pagets_disease_of_bone GAP_LOW 0.123 0.0 ibandronate Low-priority: Computational docking procaine vs pagets_disease_of_bone targets. Cross-check procaine pharmacophore against pagets_disease_of_bone pathway. amitriptyline gilles_de_la_tourette_syndrome GAP_HIGH 0.1229 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to reboxetine (Jaccard=0.33) diazepam vaginal_cancer GAP_HIGH 0.1229 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in vaginal_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) diazepam vulva_cancer GAP_HIGH 0.1229 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in vulva_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) flurbiprofen esophageal_cancer GAP_HIGH 0.1229 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) bevantolol psoriasis GAP_HIGH 0.1229 0.3076923076923077 propafenone High-priority: Binding assay bevantolol→?; validate in psoriasis cell model. Expected: similar to propafenone (Jaccard=0.31) azatadine muscle_cancer GAP_HIGH 0.1229 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in muscle_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) indecainide thymus_cancer GAP_HIGH 0.1229 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) glucosamine prostate_cancer GAP_HIGH 0.1229 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) pimozide rheumatoid_arthritis GAP_HIGH 0.1229 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in rheumatoid_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.25) clonazepam idiopathic_pulmonary_fibrosis GAP_HIGH 0.1229 0.22727272727272727 azatadine High-priority: Binding assay clonazepam→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.23) acenocoumarol melanoma GAP_HIGH 0.1229 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.22) diethylpropion mediastinal_cancer GAP_HIGH 0.1229 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) medroxyprogesterone_acetate pancreatitis GAP_HIGH 0.1229 0.2222222222222222 dexamethasone High-priority: Binding assay medroxyprogesterone_acetate→?; validate in pancreatitis cell model. Expected: similar to dexamethasone (Jaccard=0.22) ponatinib obesity GAP_HIGH 0.1229 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in obesity cell model. Expected: similar to meclizine (Jaccard=0.20) norelgestromin conduct_disorder GAP_HIGH 0.1229 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) alfacalcidol migraine GAP_HIGH 0.1229 0.16666666666666666 pimozide High-priority: Binding assay alfacalcidol→?; validate in migraine cell model. Expected: similar to pimozide (Jaccard=0.17) dapsone thymus_cancer GAP_HIGH 0.1229 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) ergocalciferol amyotrophic_lateral_sclerosis GAP_HIGH 0.1229 0.16666666666666666 rasagiline High-priority: Binding assay ergocalciferol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.17) melatonin peripheral_nervous_system_neoplasm GAP_HIGH 0.1229 0.16666666666666666 atropine High-priority: Binding assay melatonin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atropine (Jaccard=0.17) quinethazone coronary_artery_disease GAP_HIGH 0.1229 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in coronary_artery_disease cell model. Expected: similar to nateglinide (Jaccard=0.17) agomelatine mediastinal_cancer GAP_HIGH 0.1229 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) melatonin malignant_mesothelioma GAP_LOW 0.1229 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs malignant_mesothelioma targets. Cross-check melatonin pharmacophore against malignant_mesothelioma pathway. tolbutamide vaginal_cancer GAP_LOW 0.1229 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs vaginal_cancer targets. Cross-check tolbutamide pharmacophore against vaginal_cancer pathway. gliclazide glaucoma GAP_LOW 0.1229 0.11764705882352941 procarbazine Low-priority: Computational docking gliclazide vs glaucoma targets. Cross-check gliclazide pharmacophore against glaucoma pathway. pazopanib leprosy GAP_LOW 0.1229 0.11764705882352941 menadione Low-priority: Computational docking pazopanib vs leprosy targets. Cross-check pazopanib pharmacophore against leprosy pathway. tolmetin dilated_cardiomyopathy GAP_LOW 0.1229 0.11538461538461539 hydrocortisone Low-priority: Computational docking tolmetin vs dilated_cardiomyopathy targets. Cross-check tolmetin pharmacophore against dilated_cardiomyopathy pathway. bimatoprost penile_cancer GAP_LOW 0.1229 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs penile_cancer targets. Cross-check bimatoprost pharmacophore against penile_cancer pathway. travoprost creutzfeldt-jakob_disease GAP_LOW 0.1229 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs creutzfeldt-jakob_disease targets. Cross-check travoprost pharmacophore against creutzfeldt-jakob_disease pathway. tofisopam germ_cell_cancer GAP_LOW 0.1229 0.07142857142857142 raloxifene Low-priority: Computational docking tofisopam vs germ_cell_cancer targets. Cross-check tofisopam pharmacophore against germ_cell_cancer pathway. tetracycline vaginal_cancer GAP_LOW 0.1229 0.05 clonidine Low-priority: Computational docking tetracycline vs vaginal_cancer targets. Cross-check tetracycline pharmacophore against vaginal_cancer pathway. glimepiride prostate_cancer GAP_LOW 0.1229 0.043478260869565216 trimipramine Low-priority: Computational docking glimepiride vs prostate_cancer targets. Cross-check glimepiride pharmacophore against prostate_cancer pathway. antipyrine gestational_diabetes GAP_LOW 0.1229 0.02702702702702703 bezafibrate Low-priority: Computational docking antipyrine vs gestational_diabetes targets. Cross-check antipyrine pharmacophore against gestational_diabetes pathway. l-cysteine acquired_immunodeficiency_syndrome GAP_LOW 0.1229 0.020833333333333332 adenosine_monophosphate Low-priority: Computational docking l-cysteine vs acquired_immunodeficiency_syndrome targets. Cross-check l-cysteine pharmacophore against acquired_immunodeficiency_syndrome pathway. clenbuterol focal_segmental_glomerulosclerosis GAP_LOW 0.1229 0.0 methdilazine Low-priority: Computational docking clenbuterol vs focal_segmental_glomerulosclerosis targets. Cross-check clenbuterol pharmacophore against focal_segmental_glomerulosclerosis pathway. dihomo-gamma-linolenic_acid membranous_glomerulonephritis GAP_LOW 0.1229 0.0 methdilazine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs membranous_glomerulonephritis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against membranous_glomerulonephritis pathway. l-aspartic_acid dilated_cardiomyopathy GAP_LOW 0.1229 0.0 hydrocortisone Low-priority: Computational docking l-aspartic_acid vs dilated_cardiomyopathy targets. Cross-check l-aspartic_acid pharmacophore against dilated_cardiomyopathy pathway. linaclotide dilated_cardiomyopathy GAP_LOW 0.1229 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs dilated_cardiomyopathy targets. Cross-check linaclotide pharmacophore against dilated_cardiomyopathy pathway. lubiprostone membranous_glomerulonephritis GAP_LOW 0.1229 0.0 methdilazine Low-priority: Computational docking lubiprostone vs membranous_glomerulonephritis targets. Cross-check lubiprostone pharmacophore against membranous_glomerulonephritis pathway. pyrimethamine dilated_cardiomyopathy GAP_LOW 0.1229 0.0 hydrocortisone Low-priority: Computational docking pyrimethamine vs dilated_cardiomyopathy targets. Cross-check pyrimethamine pharmacophore against dilated_cardiomyopathy pathway. talbutal focal_segmental_glomerulosclerosis GAP_LOW 0.1229 0.0 methdilazine Low-priority: Computational docking talbutal vs focal_segmental_glomerulosclerosis targets. Cross-check talbutal pharmacophore against focal_segmental_glomerulosclerosis pathway. thiamylal focal_segmental_glomerulosclerosis GAP_LOW 0.1229 0.0 methdilazine Low-priority: Computational docking thiamylal vs focal_segmental_glomerulosclerosis targets. Cross-check thiamylal pharmacophore against focal_segmental_glomerulosclerosis pathway. bromfenac asthma GAP_HIGH 0.1228 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in asthma cell model. Expected: similar to salsalate (Jaccard=0.38) diazepam testicular_cancer GAP_HIGH 0.1228 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in testicular_cancer cell model. Expected: similar to cyclizine (Jaccard=0.33) norethindrone coronary_artery_disease GAP_HIGH 0.1228 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in coronary_artery_disease cell model. Expected: similar to dydrogesterone (Jaccard=0.33) salicylate-sodium ocular_cancer GAP_HIGH 0.1228 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in ocular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) carbinoxamine focal_segmental_glomerulosclerosis GAP_HIGH 0.1228 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to alimemazine (Jaccard=0.31) prednisolone crohns_disease GAP_HIGH 0.1228 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in crohns_disease cell model. Expected: similar to amcinonide (Jaccard=0.29) tolterodine uterine_cancer GAP_HIGH 0.1228 0.2727272727272727 promethazine High-priority: Binding assay tolterodine→?; validate in uterine_cancer cell model. Expected: similar to promethazine (Jaccard=0.27) oxazepam muscle_cancer GAP_HIGH 0.1228 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in muscle_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) atropine pharynx_cancer GAP_HIGH 0.1228 0.25 alclometasone High-priority: Binding assay atropine→?; validate in pharynx_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) olanzapine rheumatoid_arthritis GAP_HIGH 0.1228 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in rheumatoid_arthritis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) phenindamine rectum_cancer GAP_HIGH 0.1228 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in rectum_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) lapatinib alzheimers_disease GAP_HIGH 0.1228 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) lapatinib parkinsons_disease GAP_HIGH 0.1228 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) diethylpropion gout GAP_HIGH 0.1228 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in gout cell model. Expected: similar to fenoprofen (Jaccard=0.22) diethylpropion thymus_cancer GAP_HIGH 0.1228 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) naloxone systemic_lupus_erythematosus GAP_HIGH 0.1228 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to pazopanib (Jaccard=0.20) megestrol_acetate alcohol_dependence GAP_HIGH 0.1228 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) norelgestromin bipolar_disorder GAP_HIGH 0.1228 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) l-tryptophan esophageal_cancer GAP_HIGH 0.1228 0.18181818181818182 mesalazine High-priority: Binding assay l-tryptophan→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.18) chlorthalidone mediastinal_cancer GAP_HIGH 0.1228 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.18) zafirlukast conduct_disorder GAP_HIGH 0.1228 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in conduct_disorder cell model. Expected: similar to lisinopril (Jaccard=0.18) ethylmorphine type_1_diabetes_mellitus GAP_HIGH 0.1228 0.16666666666666666 benzatropine High-priority: Binding assay ethylmorphine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.17) loteprednol dilated_cardiomyopathy GAP_HIGH 0.1228 0.16666666666666666 medrysone High-priority: Binding assay loteprednol→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.17) agomelatine thymus_cancer GAP_HIGH 0.1228 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) dapsone head_and_neck_cancer GAP_LOW 0.1228 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs head_and_neck_cancer targets. Cross-check dapsone pharmacophore against head_and_neck_cancer pathway. dapsone malignant_glioma GAP_LOW 0.1228 0.14285714285714285 etidronic_acid Low-priority: Computational docking dapsone vs malignant_glioma targets. Cross-check dapsone pharmacophore against malignant_glioma pathway. tolbutamide testicular_cancer GAP_LOW 0.1228 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs testicular_cancer targets. Cross-check tolbutamide pharmacophore against testicular_cancer pathway. tretinoin esophageal_cancer GAP_LOW 0.1228 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs esophageal_cancer targets. Cross-check tretinoin pharmacophore against esophageal_cancer pathway. epinephrine prostate_cancer GAP_LOW 0.1228 0.125 pemetrexed Low-priority: Computational docking epinephrine vs prostate_cancer targets. Cross-check epinephrine pharmacophore against prostate_cancer pathway. methocarbamol uterine_cancer GAP_LOW 0.1228 0.1111111111111111 lacosamide Low-priority: Computational docking methocarbamol vs uterine_cancer targets. Cross-check methocarbamol pharmacophore against uterine_cancer pathway. bepotastine alcohol_dependence GAP_LOW 0.1228 0.10810810810810811 mazindol Low-priority: Computational docking bepotastine vs alcohol_dependence targets. Cross-check bepotastine pharmacophore against alcohol_dependence pathway. melatonin malaria GAP_LOW 0.1228 0.09090909090909091 sulfamethizole Low-priority: Computational docking melatonin vs malaria targets. Cross-check melatonin pharmacophore against malaria pathway. hydrochlorothiazide atherosclerosis GAP_LOW 0.1228 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs atherosclerosis targets. Cross-check hydrochlorothiazide pharmacophore against atherosclerosis pathway. amlodipine gout GAP_LOW 0.1228 0.07692307692307693 modafinil Low-priority: Computational docking amlodipine vs gout targets. Cross-check amlodipine pharmacophore against gout pathway. l-asparagine membranous_glomerulonephritis GAP_LOW 0.1228 0.06896551724137931 calcium_acetate Low-priority: Computational docking l-asparagine vs membranous_glomerulonephritis targets. Cross-check l-asparagine pharmacophore against membranous_glomerulonephritis pathway. eprosartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1228 0.058823529411764705 propafenone Low-priority: Computational docking eprosartan vs idiopathic_pulmonary_fibrosis targets. Cross-check eprosartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. tetracycline testicular_cancer GAP_LOW 0.1228 0.05 clonidine Low-priority: Computational docking tetracycline vs testicular_cancer targets. Cross-check tetracycline pharmacophore against testicular_cancer pathway. bromfenac atopic_dermatitis GAP_HIGH 0.1227 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in atopic_dermatitis cell model. Expected: similar to salsalate (Jaccard=0.38) salsalate sarcoma GAP_HIGH 0.1227 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in sarcoma cell model. Expected: similar to bromfenac (Jaccard=0.38) doxepin uterine_cancer GAP_HIGH 0.1227 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in uterine_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) cinnarizine metabolic_syndrome_x GAP_HIGH 0.1227 0.2857142857142857 mepenzolate High-priority: Binding assay cinnarizine→?; validate in metabolic_syndrome_x cell model. Expected: similar to mepenzolate (Jaccard=0.29) indecainide hematologic_cancer GAP_HIGH 0.1227 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) mitiglinide pancreatitis GAP_HIGH 0.1227 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in pancreatitis cell model. Expected: similar to methylphenidate (Jaccard=0.29) aceprometazine mediastinal_cancer GAP_HIGH 0.1227 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) arbutamine conduct_disorder GAP_HIGH 0.1227 0.25 l-dopa High-priority: Binding assay arbutamine→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) glucosamine mediastinal_cancer GAP_HIGH 0.1227 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) pimozide psoriatic_arthritis GAP_HIGH 0.1227 0.25 ezetimibe High-priority: Binding assay pimozide→?; validate in psoriatic_arthritis cell model. Expected: similar to ezetimibe (Jaccard=0.25) lapatinib autistic_disorder GAP_HIGH 0.1227 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in autistic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) perphenazine alcohol_dependence GAP_HIGH 0.1227 0.23529411764705882 temazepam High-priority: Binding assay perphenazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.24) etonogestrel epilepsy_syndrome GAP_HIGH 0.1227 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in epilepsy_syndrome cell model. Expected: similar to bifonazole (Jaccard=0.20) teniposide esophageal_cancer GAP_HIGH 0.1227 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in esophageal_cancer cell model. Expected: similar to epirubicin (Jaccard=0.20) norelgestromin endogenous_depression GAP_HIGH 0.1227 0.1875 levorphanol High-priority: Binding assay norelgestromin→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) nilotinib asthma GAP_HIGH 0.1227 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in asthma cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) nilotinib panic_disorder GAP_HIGH 0.1227 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in panic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) chlorthalidone thymus_cancer GAP_HIGH 0.1227 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.18) zafirlukast bipolar_disorder GAP_HIGH 0.1227 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in bipolar_disorder cell model. Expected: similar to lisinopril (Jaccard=0.18) dapsone hematologic_cancer GAP_HIGH 0.1227 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in hematologic_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) fenbufen penile_cancer GAP_LOW 0.1227 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs penile_cancer targets. Cross-check fenbufen pharmacophore against penile_cancer pathway. stanozolol focal_segmental_glomerulosclerosis GAP_LOW 0.1227 0.14285714285714285 bumetanide Low-priority: Computational docking stanozolol vs focal_segmental_glomerulosclerosis targets. Cross-check stanozolol pharmacophore against focal_segmental_glomerulosclerosis pathway. tolbutamide vascular_cancer GAP_LOW 0.1227 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs vascular_cancer targets. Cross-check tolbutamide pharmacophore against vascular_cancer pathway. zolpidem azoospermia GAP_LOW 0.1227 0.125 salicylate-sodium Low-priority: Computational docking zolpidem vs azoospermia targets. Cross-check zolpidem pharmacophore against azoospermia pathway. fludiazepam leprosy GAP_LOW 0.1227 0.12 phensuximide Low-priority: Computational docking fludiazepam vs leprosy targets. Cross-check fludiazepam pharmacophore against leprosy pathway. midodrine prostate_cancer GAP_LOW 0.1227 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs prostate_cancer targets. Cross-check midodrine pharmacophore against prostate_cancer pathway. naloxone lymphatic_system_cancer GAP_LOW 0.1227 0.1111111111111111 vinblastine Low-priority: Computational docking naloxone vs lymphatic_system_cancer targets. Cross-check naloxone pharmacophore against lymphatic_system_cancer pathway. tolazamide membranous_glomerulonephritis GAP_LOW 0.1227 0.09090909090909091 aciclovir Low-priority: Computational docking tolazamide vs membranous_glomerulonephritis targets. Cross-check tolazamide pharmacophore against membranous_glomerulonephritis pathway. isradipine duodenum_cancer GAP_LOW 0.1227 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs duodenum_cancer targets. Cross-check isradipine pharmacophore against duodenum_cancer pathway. isradipine gallbladder_cancer GAP_LOW 0.1227 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs gallbladder_cancer targets. Cross-check isradipine pharmacophore against gallbladder_cancer pathway. pralatrexate alcohol_dependence GAP_LOW 0.1227 0.08333333333333333 naloxone Low-priority: Computational docking pralatrexate vs alcohol_dependence targets. Cross-check pralatrexate pharmacophore against alcohol_dependence pathway. tafluprost meningioma GAP_LOW 0.1227 0.07142857142857142 prednicarbate Low-priority: Computational docking tafluprost vs meningioma targets. Cross-check tafluprost pharmacophore against meningioma pathway. mephentermine acquired_immunodeficiency_syndrome GAP_LOW 0.1227 0.06666666666666667 nateglinide Low-priority: Computational docking mephentermine vs acquired_immunodeficiency_syndrome targets. Cross-check mephentermine pharmacophore against acquired_immunodeficiency_syndrome pathway. l-ornithine penile_cancer GAP_LOW 0.1227 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs penile_cancer targets. Cross-check l-ornithine pharmacophore against penile_cancer pathway. l-aspartic_acid alopecia_areata GAP_LOW 0.1227 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs alopecia_areata targets. Cross-check l-aspartic_acid pharmacophore against alopecia_areata pathway. olmesartan idiopathic_pulmonary_fibrosis GAP_LOW 0.1227 0.05 propafenone Low-priority: Computational docking olmesartan vs idiopathic_pulmonary_fibrosis targets. Cross-check olmesartan pharmacophore against idiopathic_pulmonary_fibrosis pathway. zolpidem gestational_diabetes GAP_LOW 0.1227 0.043478260869565216 bezafibrate Low-priority: Computational docking zolpidem vs gestational_diabetes targets. Cross-check zolpidem pharmacophore against gestational_diabetes pathway. l-methionine acquired_immunodeficiency_syndrome GAP_LOW 0.1227 0.020833333333333332 adenosine_monophosphate Low-priority: Computational docking l-methionine vs acquired_immunodeficiency_syndrome targets. Cross-check l-methionine pharmacophore against acquired_immunodeficiency_syndrome pathway. clenbuterol gilles_de_la_tourette_syndrome GAP_LOW 0.1227 0.0 loxapine Low-priority: Computational docking clenbuterol vs gilles_de_la_tourette_syndrome targets. Cross-check clenbuterol pharmacophore against gilles_de_la_tourette_syndrome pathway. etoricoxib hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking etoricoxib vs hypothyroidism targets. Cross-check etoricoxib pharmacophore against hypothyroidism pathway. glutethimide hepatitis_b GAP_LOW 0.1227 0.0 mitiglinide Low-priority: Computational docking glutethimide vs hepatitis_b targets. Cross-check glutethimide pharmacophore against hepatitis_b pathway. levorphanol hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking levorphanol vs hypothyroidism targets. Cross-check levorphanol pharmacophore against hypothyroidism pathway. methylphenobarbital hepatitis_b GAP_LOW 0.1227 0.0 mitiglinide Low-priority: Computational docking methylphenobarbital vs hepatitis_b targets. Cross-check methylphenobarbital pharmacophore against hepatitis_b pathway. propiomazine hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking propiomazine vs hypothyroidism targets. Cross-check propiomazine pharmacophore against hypothyroidism pathway. raloxifene hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking raloxifene vs hypothyroidism targets. Cross-check raloxifene pharmacophore against hypothyroidism pathway. tetracycline gilles_de_la_tourette_syndrome GAP_LOW 0.1227 0.0 loxapine Low-priority: Computational docking tetracycline vs gilles_de_la_tourette_syndrome targets. Cross-check tetracycline pharmacophore against gilles_de_la_tourette_syndrome pathway. thiamylal gilles_de_la_tourette_syndrome GAP_LOW 0.1227 0.0 loxapine Low-priority: Computational docking thiamylal vs gilles_de_la_tourette_syndrome targets. Cross-check thiamylal pharmacophore against gilles_de_la_tourette_syndrome pathway. tiaprofenic_acid hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking tiaprofenic_acid vs hypothyroidism targets. Cross-check tiaprofenic_acid pharmacophore against hypothyroidism pathway. zuclopenthixol hypothyroidism GAP_LOW 0.1227 0.0 methimazole Low-priority: Computational docking zuclopenthixol vs hypothyroidism targets. Cross-check zuclopenthixol pharmacophore against hypothyroidism pathway. bromfenac allergic_rhinitis GAP_HIGH 0.1226 0.38095238095238093 salsalate High-priority: Binding assay bromfenac→?; validate in allergic_rhinitis cell model. Expected: similar to salsalate (Jaccard=0.38) mazindol coronary_artery_disease GAP_HIGH 0.1226 0.36585365853658536 chlorprothixene High-priority: Binding assay mazindol→?; validate in coronary_artery_disease cell model. Expected: similar to chlorprothixene (Jaccard=0.37) drostanolone skin_cancer GAP_HIGH 0.1226 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in skin_cancer cell model. Expected: similar to progesterone (Jaccard=0.26) suprofen chronic_kidney_failure GAP_HIGH 0.1226 0.2571428571428571 fenoprofen High-priority: Binding assay suprofen→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.26) aceprometazine primary_biliary_cirrhosis GAP_HIGH 0.1226 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.25) glucosamine thymus_cancer GAP_HIGH 0.1226 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) olanzapine psoriatic_arthritis GAP_HIGH 0.1226 0.25 cholecalciferol High-priority: Binding assay olanzapine→?; validate in psoriatic_arthritis cell model. Expected: similar to cholecalciferol (Jaccard=0.25) phenindamine liver_cancer GAP_HIGH 0.1226 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in liver_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) dienestrol restless_legs_syndrome GAP_HIGH 0.1226 0.18181818181818182 estrone High-priority: Binding assay dienestrol→?; validate in restless_legs_syndrome cell model. Expected: similar to estrone (Jaccard=0.18) dimetindene type_1_diabetes_mellitus GAP_HIGH 0.1226 0.18181818181818182 cyclopentolate High-priority: Binding assay dimetindene→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.18) nilotinib conduct_disorder GAP_HIGH 0.1226 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in conduct_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) nilotinib hypertension GAP_HIGH 0.1226 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in hypertension cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) zafirlukast endogenous_depression GAP_HIGH 0.1226 0.17647058823529413 lisinopril High-priority: Binding assay zafirlukast→?; validate in endogenous_depression cell model. Expected: similar to lisinopril (Jaccard=0.18) choline alzheimers_disease GAP_LOW 0.1226 0.125 desipramine Low-priority: Computational docking choline vs alzheimers_disease targets. Cross-check choline pharmacophore against alzheimers_disease pathway. choline parkinsons_disease GAP_LOW 0.1226 0.125 desipramine Low-priority: Computational docking choline vs parkinsons_disease targets. Cross-check choline pharmacophore against parkinsons_disease pathway. gliclazide intracranial_aneurysm GAP_LOW 0.1226 0.11764705882352941 procarbazine Low-priority: Computational docking gliclazide vs intracranial_aneurysm targets. Cross-check gliclazide pharmacophore against intracranial_aneurysm pathway. vapreotide melanoma GAP_LOW 0.1226 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs melanoma targets. Cross-check vapreotide pharmacophore against melanoma pathway. aspartame gestational_diabetes GAP_LOW 0.1226 0.1 glimepiride Low-priority: Computational docking aspartame vs gestational_diabetes targets. Cross-check aspartame pharmacophore against gestational_diabetes pathway. benzocaine atherosclerosis GAP_LOW 0.1226 0.1 phentermine Low-priority: Computational docking benzocaine vs atherosclerosis targets. Cross-check benzocaine pharmacophore against atherosclerosis pathway. esmolol alopecia_areata GAP_LOW 0.1226 0.0625 estradiol_valeratedienogest Low-priority: Computational docking esmolol vs alopecia_areata targets. Cross-check esmolol pharmacophore against alopecia_areata pathway. tafluprost membranous_glomerulonephritis GAP_LOW 0.1226 0.0625 floctafenine Low-priority: Computational docking tafluprost vs membranous_glomerulonephritis targets. Cross-check tafluprost pharmacophore against membranous_glomerulonephritis pathway. cilazapril crohns_disease GAP_LOW 0.1226 0.05263157894736842 trimipramine Low-priority: Computational docking cilazapril vs crohns_disease targets. Cross-check cilazapril pharmacophore against crohns_disease pathway. acetylcysteine germ_cell_cancer GAP_LOW 0.1226 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs germ_cell_cancer targets. Cross-check acetylcysteine pharmacophore against germ_cell_cancer pathway. penicillamine germ_cell_cancer GAP_LOW 0.1226 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs germ_cell_cancer targets. Cross-check penicillamine pharmacophore against germ_cell_cancer pathway. phenobarbital type_1_diabetes_mellitus GAP_LOW 0.1226 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs type_1_diabetes_mellitus targets. Cross-check phenobarbital pharmacophore against type_1_diabetes_mellitus pathway. quazepam type_1_diabetes_mellitus GAP_LOW 0.1226 0.0 hydrocortisone Low-priority: Computational docking quazepam vs type_1_diabetes_mellitus targets. Cross-check quazepam pharmacophore against type_1_diabetes_mellitus pathway. thiamylal type_1_diabetes_mellitus GAP_LOW 0.1226 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs type_1_diabetes_mellitus targets. Cross-check thiamylal pharmacophore against type_1_diabetes_mellitus pathway. dimetacrine pharynx_cancer GAP_HIGH 0.1225 0.4074074074074074 methadone High-priority: Binding assay dimetacrine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.41) phensuximide crohns_disease GAP_HIGH 0.1225 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in crohns_disease cell model. Expected: similar to phenytoin (Jaccard=0.31) aceprometazine thymus_cancer GAP_HIGH 0.1225 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) atropine thyroid_cancer GAP_HIGH 0.1225 0.25 alclometasone High-priority: Binding assay atropine→?; validate in thyroid_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) sulfapyridine narcolepsy GAP_HIGH 0.1225 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in narcolepsy cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) lapatinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1225 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) phenmetrazine meningioma GAP_HIGH 0.1225 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.19) dapsone conduct_disorder GAP_HIGH 0.1225 0.18181818181818182 quinethazone High-priority: Binding assay dapsone→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.18) dapsone panic_disorder GAP_HIGH 0.1225 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in panic_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.18) dapsone schizophrenia GAP_HIGH 0.1225 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in schizophrenia cell model. Expected: similar to methyclothiazide (Jaccard=0.18) indomethacin amyotrophic_lateral_sclerosis GAP_HIGH 0.1225 0.18181818181818182 tolmetin High-priority: Binding assay indomethacin→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tolmetin (Jaccard=0.18) nilotinib allergic_rhinitis GAP_HIGH 0.1225 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) nilotinib bipolar_disorder GAP_HIGH 0.1225 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in bipolar_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) zolpidem thyroid_cancer GAP_LOW 0.1225 0.14285714285714285 pasireotide Low-priority: Computational docking zolpidem vs thyroid_cancer targets. Cross-check zolpidem pharmacophore against thyroid_cancer pathway. gliclazide penile_cancer GAP_LOW 0.1225 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs penile_cancer targets. Cross-check gliclazide pharmacophore against penile_cancer pathway. gliclazide germ_cell_cancer GAP_LOW 0.1225 0.13333333333333333 docetaxel Low-priority: Computational docking gliclazide vs germ_cell_cancer targets. Cross-check gliclazide pharmacophore against germ_cell_cancer pathway. choline amyotrophic_lateral_sclerosis GAP_LOW 0.1225 0.125 desipramine Low-priority: Computational docking choline vs amyotrophic_lateral_sclerosis targets. Cross-check choline pharmacophore against amyotrophic_lateral_sclerosis pathway. codeine glaucoma GAP_LOW 0.1225 0.11764705882352941 sodium_lauryl_sulfate Low-priority: Computational docking codeine vs glaucoma targets. Cross-check codeine pharmacophore against glaucoma pathway. vorinostat narcolepsy GAP_LOW 0.1225 0.1111111111111111 bromodiphenhydramine Low-priority: Computational docking vorinostat vs narcolepsy targets. Cross-check vorinostat pharmacophore against narcolepsy pathway. vapreotide duodenum_cancer GAP_LOW 0.1225 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs duodenum_cancer targets. Cross-check vapreotide pharmacophore against duodenum_cancer pathway. vapreotide gallbladder_cancer GAP_LOW 0.1225 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs gallbladder_cancer targets. Cross-check vapreotide pharmacophore against gallbladder_cancer pathway. travoprost rheumatoid_arthritis GAP_LOW 0.1225 0.1 cyproterone_acetate Low-priority: Computational docking travoprost vs rheumatoid_arthritis targets. Cross-check travoprost pharmacophore against rheumatoid_arthritis pathway. aminocaproic_acid crohns_disease GAP_LOW 0.1225 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs crohns_disease targets. Cross-check aminocaproic_acid pharmacophore against crohns_disease pathway. tafluprost penile_cancer GAP_LOW 0.1225 0.06666666666666667 procarbazine Low-priority: Computational docking tafluprost vs penile_cancer targets. Cross-check tafluprost pharmacophore against penile_cancer pathway. l-ornithine malignant_mesothelioma GAP_LOW 0.1225 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs malignant_mesothelioma targets. Cross-check l-ornithine pharmacophore against malignant_mesothelioma pathway. testosterone leprosy GAP_LOW 0.1225 0.0625 menadione Low-priority: Computational docking testosterone vs leprosy targets. Cross-check testosterone pharmacophore against leprosy pathway. enalapril leprosy GAP_LOW 0.1225 0.05 pomalidomide Low-priority: Computational docking enalapril vs leprosy targets. Cross-check enalapril pharmacophore against leprosy pathway. pravastatin azoospermia GAP_LOW 0.1225 0.04 phenacemide Low-priority: Computational docking pravastatin vs azoospermia targets. Cross-check pravastatin pharmacophore against azoospermia pathway. lubiprostone autistic_disorder GAP_LOW 0.1225 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs autistic_disorder targets. Cross-check lubiprostone pharmacophore against autistic_disorder pathway. lubiprostone nicotine_dependence GAP_LOW 0.1225 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs nicotine_dependence targets. Cross-check lubiprostone pharmacophore against nicotine_dependence pathway. propofol pharynx_cancer GAP_LOW 0.1225 0.0 hydrocortisone Low-priority: Computational docking propofol vs pharynx_cancer targets. Cross-check propofol pharmacophore against pharynx_cancer pathway. modafinil multiple_sclerosis GAP_HIGH 0.1224 0.45454545454545453 diphenylpyraline High-priority: Binding assay modafinil→?; validate in multiple_sclerosis cell model. Expected: similar to diphenylpyraline (Jaccard=0.45) modafinil idiopathic_pulmonary_fibrosis GAP_HIGH 0.1224 0.42857142857142855 diphenhydramine High-priority: Binding assay modafinil→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.43) diazepam uterine_fibroid GAP_HIGH 0.1224 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in uterine_fibroid cell model. Expected: similar to cyclizine (Jaccard=0.33) temazepam melanoma GAP_HIGH 0.1224 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) azatadine peripheral_nervous_system_neoplasm GAP_HIGH 0.1224 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to raloxifene (Jaccard=0.30) azatadine urinary_bladder_cancer GAP_HIGH 0.1224 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in urinary_bladder_cancer cell model. Expected: similar to raloxifene (Jaccard=0.30) pargyline pharynx_cancer GAP_HIGH 0.1224 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) midazolam stomach_cancer GAP_HIGH 0.1224 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in stomach_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) mitiglinide lung_cancer GAP_HIGH 0.1224 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in lung_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) mitiglinide rectum_cancer GAP_HIGH 0.1224 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) aprindine sclerosing_cholangitis GAP_HIGH 0.1224 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in sclerosing_cholangitis cell model. Expected: similar to dimetacrine (Jaccard=0.28) aprindine malignant_mesothelioma GAP_HIGH 0.1224 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.26) mestranol metabolic_syndrome_x GAP_HIGH 0.1224 0.2631578947368421 medrysone High-priority: Binding assay mestranol→?; validate in metabolic_syndrome_x cell model. Expected: similar to medrysone (Jaccard=0.26) glucosamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1224 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.26) atropine epilepsy_syndrome GAP_HIGH 0.1224 0.25 nefazodone High-priority: Binding assay atropine→?; validate in epilepsy_syndrome cell model. Expected: similar to nefazodone (Jaccard=0.25) diclofenac azoospermia GAP_HIGH 0.1224 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in azoospermia cell model. Expected: similar to oxaprozin (Jaccard=0.24) flunarizine duodenum_cancer GAP_HIGH 0.1224 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in duodenum_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) flunarizine gallbladder_cancer GAP_HIGH 0.1224 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in gallbladder_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) alvimopan coronary_artery_disease GAP_HIGH 0.1224 0.2222222222222222 ketorolac High-priority: Binding assay alvimopan→?; validate in coronary_artery_disease cell model. Expected: similar to ketorolac (Jaccard=0.22) lenalidomide psoriasis GAP_HIGH 0.1224 0.2 dipivefrin High-priority: Binding assay lenalidomide→?; validate in psoriasis cell model. Expected: similar to dipivefrin (Jaccard=0.20) selegiline penile_cancer GAP_HIGH 0.1224 0.2 topotecan High-priority: Binding assay selegiline→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) sulfamethizole nephrolithiasis GAP_HIGH 0.1224 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.19) sulfamethizole refractive_error GAP_HIGH 0.1224 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.19) nilotinib endogenous_depression GAP_HIGH 0.1224 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in endogenous_depression cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) ospemifene head_and_neck_cancer GAP_HIGH 0.1224 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in head_and_neck_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene malignant_glioma GAP_HIGH 0.1224 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in malignant_glioma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) agomelatine creutzfeldt-jakob_disease GAP_HIGH 0.1224 0.15789473684210525 salsalate High-priority: Binding assay agomelatine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salsalate (Jaccard=0.16) ergocalciferol germ_cell_cancer GAP_LOW 0.1224 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs germ_cell_cancer targets. Cross-check ergocalciferol pharmacophore against germ_cell_cancer pathway. orciprenaline lymphatic_system_cancer GAP_LOW 0.1224 0.14285714285714285 streptozocin Low-priority: Computational docking orciprenaline vs lymphatic_system_cancer targets. Cross-check orciprenaline pharmacophore against lymphatic_system_cancer pathway. tolbutamide uterine_fibroid GAP_LOW 0.1224 0.14285714285714285 procaine Low-priority: Computational docking tolbutamide vs uterine_fibroid targets. Cross-check tolbutamide pharmacophore against uterine_fibroid pathway. l-citrulline mediastinal_cancer GAP_LOW 0.1224 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs mediastinal_cancer targets. Cross-check l-citrulline pharmacophore against mediastinal_cancer pathway. l-citrulline primary_biliary_cirrhosis GAP_LOW 0.1224 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs primary_biliary_cirrhosis targets. Cross-check l-citrulline pharmacophore against primary_biliary_cirrhosis pathway. hydrochlorothiazide kidney_cancer GAP_LOW 0.1224 0.1111111111111111 dapsone Low-priority: Computational docking hydrochlorothiazide vs kidney_cancer targets. Cross-check hydrochlorothiazide pharmacophore against kidney_cancer pathway. mephentermine chronic_kidney_failure GAP_LOW 0.1224 0.1111111111111111 amitriptyline Low-priority: Computational docking mephentermine vs chronic_kidney_failure targets. Cross-check mephentermine pharmacophore against chronic_kidney_failure pathway. l-aspartic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.1224 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check l-aspartic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. sulpiride salivary_gland_cancer GAP_LOW 0.1224 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs salivary_gland_cancer targets. Cross-check sulpiride pharmacophore against salivary_gland_cancer pathway. tolazamide gilles_de_la_tourette_syndrome GAP_LOW 0.1224 0.07692307692307693 alvimopan Low-priority: Computational docking tolazamide vs gilles_de_la_tourette_syndrome targets. Cross-check tolazamide pharmacophore against gilles_de_la_tourette_syndrome pathway. halazepam atherosclerosis GAP_LOW 0.1224 0.06896551724137931 flurbiprofen Low-priority: Computational docking halazepam vs atherosclerosis targets. Cross-check halazepam pharmacophore against atherosclerosis pathway. nateglinide pagets_disease_of_bone GAP_LOW 0.1224 0.06666666666666667 clodronate Low-priority: Computational docking nateglinide vs pagets_disease_of_bone targets. Cross-check nateglinide pharmacophore against pagets_disease_of_bone pathway. clofibrate lymphatic_system_cancer GAP_LOW 0.1224 0.034482758620689655 glucosamine Low-priority: Computational docking clofibrate vs lymphatic_system_cancer targets. Cross-check clofibrate pharmacophore against lymphatic_system_cancer pathway. baclofen lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking baclofen vs lymphatic_system_cancer targets. Cross-check baclofen pharmacophore against lymphatic_system_cancer pathway. carprofen lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking carprofen vs lymphatic_system_cancer targets. Cross-check carprofen pharmacophore against lymphatic_system_cancer pathway. estriol atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking estriol vs atherosclerosis targets. Cross-check estriol pharmacophore against atherosclerosis pathway. estriol lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking estriol vs lymphatic_system_cancer targets. Cross-check estriol pharmacophore against lymphatic_system_cancer pathway. estropipate atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking estropipate vs atherosclerosis targets. Cross-check estropipate pharmacophore against atherosclerosis pathway. estropipate lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking estropipate vs lymphatic_system_cancer targets. Cross-check estropipate pharmacophore against lymphatic_system_cancer pathway. mannitol atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking mannitol vs atherosclerosis targets. Cross-check mannitol pharmacophore against atherosclerosis pathway. mannitol lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking mannitol vs lymphatic_system_cancer targets. Cross-check mannitol pharmacophore against lymphatic_system_cancer pathway. nicardipine atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking nicardipine vs atherosclerosis targets. Cross-check nicardipine pharmacophore against atherosclerosis pathway. nicardipine lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking nicardipine vs lymphatic_system_cancer targets. Cross-check nicardipine pharmacophore against lymphatic_system_cancer pathway. nilvadipine atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking nilvadipine vs atherosclerosis targets. Cross-check nilvadipine pharmacophore against atherosclerosis pathway. nilvadipine lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking nilvadipine vs lymphatic_system_cancer targets. Cross-check nilvadipine pharmacophore against lymphatic_system_cancer pathway. olmesartan atherosclerosis GAP_LOW 0.1224 0.0 fenoprofen Low-priority: Computational docking olmesartan vs atherosclerosis targets. Cross-check olmesartan pharmacophore against atherosclerosis pathway. pravastatin lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking pravastatin vs lymphatic_system_cancer targets. Cross-check pravastatin pharmacophore against lymphatic_system_cancer pathway. tauroursodeoxycholic_acid lymphatic_system_cancer GAP_LOW 0.1224 0.0 vinblastine Low-priority: Computational docking tauroursodeoxycholic_acid vs lymphatic_system_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against lymphatic_system_cancer pathway. atomoxetine rectum_cancer GAP_HIGH 0.1223 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in rectum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) diazepam azoospermia GAP_HIGH 0.1223 0.2857142857142857 trifluoperazine High-priority: Binding assay diazepam→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.29) midazolam pancreatic_cancer GAP_HIGH 0.1223 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in pancreatic_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) midazolam ulcerative_colitis GAP_HIGH 0.1223 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in ulcerative_colitis cell model. Expected: similar to clozapine (Jaccard=0.29) oxazepam urinary_bladder_cancer GAP_HIGH 0.1223 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) flunarizine thyroid_cancer GAP_HIGH 0.1223 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) flunarizine meningioma GAP_HIGH 0.1223 0.21739130434782608 diphenylpyraline High-priority: Binding assay flunarizine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.22) arbutamine esophageal_cancer GAP_HIGH 0.1223 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) l-tryptophan meningioma GAP_HIGH 0.1223 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in meningioma cell model. Expected: similar to methimazole (Jaccard=0.20) ponatinib polycystic_ovary_syndrome GAP_HIGH 0.1223 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib restless_legs_syndrome GAP_HIGH 0.1223 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in restless_legs_syndrome cell model. Expected: similar to meclizine (Jaccard=0.20) ponatinib type_2_diabetes_mellitus GAP_HIGH 0.1223 0.1951219512195122 meclizine High-priority: Binding assay ponatinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to meclizine (Jaccard=0.20) alendronate focal_segmental_glomerulosclerosis GAP_HIGH 0.1223 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.18) dapsone bipolar_disorder GAP_HIGH 0.1223 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in bipolar_disorder cell model. Expected: similar to methyclothiazide (Jaccard=0.18) dapsone endogenous_depression GAP_HIGH 0.1223 0.18181818181818182 quinethazone High-priority: Binding assay dapsone→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.18) nilotinib multiple_sclerosis GAP_HIGH 0.1223 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in multiple_sclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) sulfanilamide mediastinal_cancer GAP_HIGH 0.1223 0.17647058823529413 warfarin High-priority: Binding assay sulfanilamide→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.18) ospemifene kidney_cancer GAP_HIGH 0.1223 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in kidney_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) anisindione sarcoma GAP_LOW 0.1223 0.14285714285714285 ifenprodil Low-priority: Computational docking anisindione vs sarcoma targets. Cross-check anisindione pharmacophore against sarcoma pathway. gliclazide malignant_mesothelioma GAP_LOW 0.1223 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs malignant_mesothelioma targets. Cross-check gliclazide pharmacophore against malignant_mesothelioma pathway. agomelatine gilles_de_la_tourette_syndrome GAP_LOW 0.1223 0.125 diphemanil_methylsulfate Low-priority: Computational docking agomelatine vs gilles_de_la_tourette_syndrome targets. Cross-check agomelatine pharmacophore against gilles_de_la_tourette_syndrome pathway. choline attention_deficit_hyperactivity_disorder GAP_LOW 0.1223 0.125 l-tryptophan Low-priority: Computational docking choline vs attention_deficit_hyperactivity_disorder targets. Cross-check choline pharmacophore against attention_deficit_hyperactivity_disorder pathway. l-citrulline thymus_cancer GAP_LOW 0.1223 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs thymus_cancer targets. Cross-check l-citrulline pharmacophore against thymus_cancer pathway. methyltestosterone alcohol_dependence GAP_LOW 0.1223 0.1111111111111111 dextromethorphan Low-priority: Computational docking methyltestosterone vs alcohol_dependence targets. Cross-check methyltestosterone pharmacophore against alcohol_dependence pathway. sulfaphenazole gestational_diabetes GAP_LOW 0.1223 0.1111111111111111 glisoxepide Low-priority: Computational docking sulfaphenazole vs gestational_diabetes targets. Cross-check sulfaphenazole pharmacophore against gestational_diabetes pathway. methsuximide germ_cell_cancer GAP_LOW 0.1223 0.10526315789473684 tamoxifen Low-priority: Computational docking methsuximide vs germ_cell_cancer targets. Cross-check methsuximide pharmacophore against germ_cell_cancer pathway. indapamide gestational_diabetes GAP_LOW 0.1223 0.1 glimepiride Low-priority: Computational docking indapamide vs gestational_diabetes targets. Cross-check indapamide pharmacophore against gestational_diabetes pathway. quinestrol epilepsy_syndrome GAP_LOW 0.1223 0.1 bifonazole Low-priority: Computational docking quinestrol vs epilepsy_syndrome targets. Cross-check quinestrol pharmacophore against epilepsy_syndrome pathway. vapreotide idiopathic_pulmonary_fibrosis GAP_LOW 0.1223 0.1 zafirlukast Low-priority: Computational docking vapreotide vs idiopathic_pulmonary_fibrosis targets. Cross-check vapreotide pharmacophore against idiopathic_pulmonary_fibrosis pathway. travoprost epilepsy_syndrome GAP_LOW 0.1223 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs epilepsy_syndrome targets. Cross-check travoprost pharmacophore against epilepsy_syndrome pathway. captopril atopic_dermatitis GAP_LOW 0.1223 0.08333333333333333 epinephrine Low-priority: Computational docking captopril vs atopic_dermatitis targets. Cross-check captopril pharmacophore against atopic_dermatitis pathway. quinethazone bone_cancer GAP_LOW 0.1223 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs bone_cancer targets. Cross-check quinethazone pharmacophore against bone_cancer pathway. isradipine primary_biliary_cirrhosis GAP_LOW 0.1223 0.07692307692307693 clocortolone Low-priority: Computational docking isradipine vs primary_biliary_cirrhosis targets. Cross-check isradipine pharmacophore against primary_biliary_cirrhosis pathway. methocarbamol brain_cancer GAP_LOW 0.1223 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs brain_cancer targets. Cross-check methocarbamol pharmacophore against brain_cancer pathway. methocarbamol intracranial_aneurysm GAP_LOW 0.1223 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs intracranial_aneurysm targets. Cross-check methocarbamol pharmacophore against intracranial_aneurysm pathway. dyphylline lymphatic_system_cancer GAP_LOW 0.1223 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs lymphatic_system_cancer targets. Cross-check dyphylline pharmacophore against lymphatic_system_cancer pathway. nilotinib dilated_cardiomyopathy GAP_LOW 0.1223 0.0625 trandolapril Low-priority: Computational docking nilotinib vs dilated_cardiomyopathy targets. Cross-check nilotinib pharmacophore against dilated_cardiomyopathy pathway. amodiaquine refractive_error GAP_LOW 0.1223 0.05 dipivefrin Low-priority: Computational docking amodiaquine vs refractive_error targets. Cross-check amodiaquine pharmacophore against refractive_error pathway. candesartan membranous_glomerulonephritis GAP_LOW 0.1223 0.04 vidarabine Low-priority: Computational docking candesartan vs membranous_glomerulonephritis targets. Cross-check candesartan pharmacophore against membranous_glomerulonephritis pathway. lubiprostone attention_deficit_hyperactivity_disorder GAP_LOW 0.1223 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs attention_deficit_hyperactivity_disorder targets. Cross-check lubiprostone pharmacophore against attention_deficit_hyperactivity_disorder pathway. atropine hypothyroidism GAP_LOW 0.1223 0.0 methimazole Low-priority: Computational docking atropine vs hypothyroidism targets. Cross-check atropine pharmacophore against hypothyroidism pathway. benzatropine hypothyroidism GAP_LOW 0.1223 0.0 methimazole Low-priority: Computational docking benzatropine vs hypothyroidism targets. Cross-check benzatropine pharmacophore against hypothyroidism pathway. chlorprothixene hypothyroidism GAP_LOW 0.1223 0.0 methimazole Low-priority: Computational docking chlorprothixene vs hypothyroidism targets. Cross-check chlorprothixene pharmacophore against hypothyroidism pathway. goserelin pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking goserelin vs pagets_disease_of_bone targets. Cross-check goserelin pharmacophore against pagets_disease_of_bone pathway. lapatinib pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking lapatinib vs pagets_disease_of_bone targets. Cross-check lapatinib pharmacophore against pagets_disease_of_bone pathway. methadyl_acetate pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking methadyl_acetate vs pagets_disease_of_bone targets. Cross-check methadyl_acetate pharmacophore against pagets_disease_of_bone pathway. oxcarbazepine pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking oxcarbazepine vs pagets_disease_of_bone targets. Cross-check oxcarbazepine pharmacophore against pagets_disease_of_bone pathway. phenindione pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking phenindione vs pagets_disease_of_bone targets. Cross-check phenindione pharmacophore against pagets_disease_of_bone pathway. salsalate hypothyroidism GAP_LOW 0.1223 0.0 methimazole Low-priority: Computational docking salsalate vs hypothyroidism targets. Cross-check salsalate pharmacophore against hypothyroidism pathway. sulfadiazine pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking sulfadiazine vs pagets_disease_of_bone targets. Cross-check sulfadiazine pharmacophore against pagets_disease_of_bone pathway. sulfaphenazole pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking sulfaphenazole vs pagets_disease_of_bone targets. Cross-check sulfaphenazole pharmacophore against pagets_disease_of_bone pathway. thiothixene hypothyroidism GAP_LOW 0.1223 0.0 methimazole Low-priority: Computational docking thiothixene vs hypothyroidism targets. Cross-check thiothixene pharmacophore against hypothyroidism pathway. trandolapril pagets_disease_of_bone GAP_LOW 0.1223 0.0 ibandronate Low-priority: Computational docking trandolapril vs pagets_disease_of_bone targets. Cross-check trandolapril pharmacophore against pagets_disease_of_bone pathway. promazine meningioma GAP_HIGH 0.1222 0.41379310344827586 methadone High-priority: Binding assay promazine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.41) atomoxetine liver_cancer GAP_HIGH 0.1222 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.36) norethindrone migraine GAP_HIGH 0.1222 0.35 ethinyl_estradiol High-priority: Binding assay norethindrone→?; validate in migraine cell model. Expected: similar to ethinyl_estradiol (Jaccard=0.35) midazolam uterine_cancer GAP_HIGH 0.1222 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in uterine_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) prednisolone primary_biliary_cirrhosis GAP_HIGH 0.1222 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to amcinonide (Jaccard=0.29) alverine pharynx_cancer GAP_HIGH 0.1222 0.28 methadone High-priority: Binding assay alverine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.28) dextroamphetamine uterine_cancer GAP_HIGH 0.1222 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) podofilox chronic_obstructive_pulmonary_disease GAP_HIGH 0.1222 0.25 trovafloxacin High-priority: Binding assay podofilox→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to trovafloxacin (Jaccard=0.25) podofilox epilepsy_syndrome GAP_HIGH 0.1222 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in epilepsy_syndrome cell model. Expected: similar to amsacrine (Jaccard=0.25) lapatinib panic_disorder GAP_HIGH 0.1222 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in panic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) imatinib melanoma GAP_HIGH 0.1222 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in melanoma cell model. Expected: similar to sorafenib (Jaccard=0.21) selegiline malignant_mesothelioma GAP_HIGH 0.1222 0.2 topotecan High-priority: Binding assay selegiline→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.20) vidarabine germ_cell_cancer GAP_HIGH 0.1222 0.19047619047619047 gemcitabine High-priority: Binding assay vidarabine→?; validate in germ_cell_cancer cell model. Expected: similar to gemcitabine (Jaccard=0.19) alendronate gilles_de_la_tourette_syndrome GAP_HIGH 0.1222 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to trifluoperazine (Jaccard=0.18) dapsone multiple_sclerosis GAP_HIGH 0.1222 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in multiple_sclerosis cell model. Expected: similar to methyclothiazide (Jaccard=0.18) sulfanilamide thymus_cancer GAP_HIGH 0.1222 0.17647058823529413 warfarin High-priority: Binding assay sulfanilamide→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.18) ospemifene nephrolithiasis GAP_HIGH 0.1222 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in nephrolithiasis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) etoricoxib leprosy GAP_HIGH 0.1222 0.16 sulfapyridine High-priority: Binding assay etoricoxib→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.16) theophylline multiple_sclerosis GAP_LOW 0.1222 0.14285714285714285 furazolidone Low-priority: Computational docking theophylline vs multiple_sclerosis targets. Cross-check theophylline pharmacophore against multiple_sclerosis pathway. calcitriol brain_cancer GAP_LOW 0.1222 0.125 loteprednol Low-priority: Computational docking calcitriol vs brain_cancer targets. Cross-check calcitriol pharmacophore against brain_cancer pathway. calcitriol intracranial_aneurysm GAP_LOW 0.1222 0.125 loteprednol Low-priority: Computational docking calcitriol vs intracranial_aneurysm targets. Cross-check calcitriol pharmacophore against intracranial_aneurysm pathway. doxapram head_and_neck_cancer GAP_LOW 0.1222 0.125 topotecan Low-priority: Computational docking doxapram vs head_and_neck_cancer targets. Cross-check doxapram pharmacophore against head_and_neck_cancer pathway. doxapram malignant_glioma GAP_LOW 0.1222 0.125 topotecan Low-priority: Computational docking doxapram vs malignant_glioma targets. Cross-check doxapram pharmacophore against malignant_glioma pathway. chlorpropamide larynx_cancer GAP_LOW 0.1222 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs larynx_cancer targets. Cross-check chlorpropamide pharmacophore against larynx_cancer pathway. methocarbamol vulva_cancer GAP_LOW 0.1222 0.1111111111111111 lacosamide Low-priority: Computational docking methocarbamol vs vulva_cancer targets. Cross-check methocarbamol pharmacophore against vulva_cancer pathway. clodronate leprosy GAP_LOW 0.1222 0.1 sulfamethizole Low-priority: Computational docking clodronate vs leprosy targets. Cross-check clodronate pharmacophore against leprosy pathway. l-aspartic_acid pancreatitis GAP_LOW 0.1222 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs pancreatitis targets. Cross-check l-aspartic_acid pharmacophore against pancreatitis pathway. travoprost crohns_disease GAP_LOW 0.1222 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs crohns_disease targets. Cross-check travoprost pharmacophore against crohns_disease pathway. l-ornithine sclerosing_cholangitis GAP_LOW 0.1222 0.07142857142857142 anisotropine_methylbromide Low-priority: Computational docking l-ornithine vs sclerosing_cholangitis targets. Cross-check l-ornithine pharmacophore against sclerosing_cholangitis pathway. sulpiride meningioma GAP_LOW 0.1222 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs meningioma targets. Cross-check sulpiride pharmacophore against meningioma pathway. candesartan autistic_disorder GAP_LOW 0.1222 0.0625 flurazepam Low-priority: Computational docking candesartan vs autistic_disorder targets. Cross-check candesartan pharmacophore against autistic_disorder pathway. felypressin malaria GAP_LOW 0.1222 0.058823529411764705 sulfamethizole Low-priority: Computational docking felypressin vs malaria targets. Cross-check felypressin pharmacophore against malaria pathway. terlipressin malaria GAP_LOW 0.1222 0.058823529411764705 sulfamethizole Low-priority: Computational docking terlipressin vs malaria targets. Cross-check terlipressin pharmacophore against malaria pathway. thalidomide gestational_diabetes GAP_LOW 0.1222 0.05263157894736842 zafirlukast Low-priority: Computational docking thalidomide vs gestational_diabetes targets. Cross-check thalidomide pharmacophore against gestational_diabetes pathway. tropicamide gestational_diabetes GAP_LOW 0.1222 0.038461538461538464 bezafibrate Low-priority: Computational docking tropicamide vs gestational_diabetes targets. Cross-check tropicamide pharmacophore against gestational_diabetes pathway. ephedrine gestational_diabetes GAP_LOW 0.1222 0.03571428571428571 bezafibrate Low-priority: Computational docking ephedrine vs gestational_diabetes targets. Cross-check ephedrine pharmacophore against gestational_diabetes pathway. thiamylal glaucoma GAP_LOW 0.1222 0.0 pirbuterol Low-priority: Computational docking thiamylal vs glaucoma targets. Cross-check thiamylal pharmacophore against glaucoma pathway. loperamide systemic_lupus_erythematosus GAP_HIGH 0.1221 0.42105263157894735 diphemanil_methylsulfate High-priority: Binding assay loperamide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.42) doxepin vaginal_cancer GAP_HIGH 0.1221 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in vaginal_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) doxepin vulva_cancer GAP_HIGH 0.1221 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in vulva_cancer cell model. Expected: similar to acepromazine (Jaccard=0.38) diazepam polycystic_ovary_syndrome GAP_HIGH 0.1221 0.3333333333333333 cyclizine High-priority: Binding assay diazepam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to cyclizine (Jaccard=0.33) etoricoxib chronic_kidney_failure GAP_HIGH 0.1221 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in chronic_kidney_failure cell model. Expected: similar to quinethazone (Jaccard=0.31) phensuximide prostate_cancer GAP_HIGH 0.1221 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in prostate_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) diazepam membranous_glomerulonephritis GAP_HIGH 0.1221 0.2857142857142857 trifluoperazine High-priority: Binding assay diazepam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.29) dextroamphetamine sarcoma GAP_HIGH 0.1221 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.27) atropine salivary_gland_cancer GAP_HIGH 0.1221 0.25 alclometasone High-priority: Binding assay atropine→?; validate in salivary_gland_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) lapatinib asthma GAP_HIGH 0.1221 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in asthma cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) lapatinib conduct_disorder GAP_HIGH 0.1221 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in conduct_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) lapatinib hypertension GAP_HIGH 0.1221 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in hypertension cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) alendronate crohns_disease GAP_HIGH 0.1221 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in crohns_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) lenalidomide systemic_lupus_erythematosus GAP_HIGH 0.1221 0.2 streptozocin High-priority: Binding assay lenalidomide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to streptozocin (Jaccard=0.20) naloxone systemic_scleroderma GAP_HIGH 0.1221 0.2 pazopanib High-priority: Binding assay naloxone→?; validate in systemic_scleroderma cell model. Expected: similar to pazopanib (Jaccard=0.20) dapsone migraine GAP_HIGH 0.1221 0.18181818181818182 quinethazone High-priority: Binding assay dapsone→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.18) calcitriol polycystic_ovary_syndrome GAP_HIGH 0.1221 0.16666666666666666 clopidogrel High-priority: Binding assay calcitriol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clopidogrel (Jaccard=0.17) phenylephrine azoospermia GAP_HIGH 0.1221 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in azoospermia cell model. Expected: similar to ethopropazine (Jaccard=0.16) dienestrol head_and_neck_cancer GAP_LOW 0.1221 0.14285714285714285 exemestane Low-priority: Computational docking dienestrol vs head_and_neck_cancer targets. Cross-check dienestrol pharmacophore against head_and_neck_cancer pathway. phenoxybenzamine alcohol_dependence GAP_LOW 0.1221 0.14285714285714285 ethylmorphine Low-priority: Computational docking phenoxybenzamine vs alcohol_dependence targets. Cross-check phenoxybenzamine pharmacophore against alcohol_dependence pathway. doxapram kidney_cancer GAP_LOW 0.1221 0.125 benzocaine Low-priority: Computational docking doxapram vs kidney_cancer targets. Cross-check doxapram pharmacophore against kidney_cancer pathway. halazepam melanoma GAP_LOW 0.1221 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs melanoma targets. Cross-check halazepam pharmacophore against melanoma pathway. diclofenac gestational_diabetes GAP_LOW 0.1221 0.1111111111111111 bezafibrate Low-priority: Computational docking diclofenac vs gestational_diabetes targets. Cross-check diclofenac pharmacophore against gestational_diabetes pathway. dopamine gilles_de_la_tourette_syndrome GAP_LOW 0.1221 0.1111111111111111 tolterodine Low-priority: Computational docking dopamine vs gilles_de_la_tourette_syndrome targets. Cross-check dopamine pharmacophore against gilles_de_la_tourette_syndrome pathway. hydrochlorothiazide celiac_disease GAP_LOW 0.1221 0.1111111111111111 dapsone Low-priority: Computational docking hydrochlorothiazide vs celiac_disease targets. Cross-check hydrochlorothiazide pharmacophore against celiac_disease pathway. nilotinib lymphatic_system_cancer GAP_LOW 0.1221 0.10344827586206896 glucosamine Low-priority: Computational docking nilotinib vs lymphatic_system_cancer targets. Cross-check nilotinib pharmacophore against lymphatic_system_cancer pathway. bimatoprost meningioma GAP_LOW 0.1221 0.09090909090909091 procarbazine Low-priority: Computational docking bimatoprost vs meningioma targets. Cross-check bimatoprost pharmacophore against meningioma pathway. tolazamide chronic_kidney_failure GAP_LOW 0.1221 0.08333333333333333 indapamide Low-priority: Computational docking tolazamide vs chronic_kidney_failure targets. Cross-check tolazamide pharmacophore against chronic_kidney_failure pathway. calcitriol alcohol_dependence GAP_LOW 0.1221 0.058823529411764705 levorphanol Low-priority: Computational docking calcitriol vs alcohol_dependence targets. Cross-check calcitriol pharmacophore against alcohol_dependence pathway. tolazamide malaria GAP_LOW 0.1221 0.05555555555555555 pentobarbital Low-priority: Computational docking tolazamide vs malaria targets. Cross-check tolazamide pharmacophore against malaria pathway. candesartan primary_biliary_cirrhosis GAP_LOW 0.1221 0.05 droxidopa Low-priority: Computational docking candesartan vs primary_biliary_cirrhosis targets. Cross-check candesartan pharmacophore against primary_biliary_cirrhosis pathway. tafluprost type_1_diabetes_mellitus GAP_LOW 0.1221 0.043478260869565216 bromfenac Low-priority: Computational docking tafluprost vs type_1_diabetes_mellitus targets. Cross-check tafluprost pharmacophore against type_1_diabetes_mellitus pathway. l-cysteine atherosclerosis GAP_LOW 0.1221 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-cysteine vs atherosclerosis targets. Cross-check l-cysteine pharmacophore against atherosclerosis pathway. bimatoprost leprosy GAP_LOW 0.1221 0.0 sulfapyridine Low-priority: Computational docking bimatoprost vs leprosy targets. Cross-check bimatoprost pharmacophore against leprosy pathway. emtricitabine leprosy GAP_LOW 0.1221 0.0 sulfapyridine Low-priority: Computational docking emtricitabine vs leprosy targets. Cross-check emtricitabine pharmacophore against leprosy pathway. flavin_adenine_dinucleotide leprosy GAP_LOW 0.1221 0.0 sulfapyridine Low-priority: Computational docking flavin_adenine_dinucleotide vs leprosy targets. Cross-check flavin_adenine_dinucleotide pharmacophore against leprosy pathway. latanoprost leprosy GAP_LOW 0.1221 0.0 sulfapyridine Low-priority: Computational docking latanoprost vs leprosy targets. Cross-check latanoprost pharmacophore against leprosy pathway. travoprost leprosy GAP_LOW 0.1221 0.0 sulfapyridine Low-priority: Computational docking travoprost vs leprosy targets. Cross-check travoprost pharmacophore against leprosy pathway. trifluoperazine skin_cancer GAP_HIGH 0.122 0.4166666666666667 azatadine High-priority: Binding assay trifluoperazine→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.42) atomoxetine peripheral_nervous_system_neoplasm GAP_HIGH 0.122 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.36) norethindrone melanoma GAP_HIGH 0.122 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in melanoma cell model. Expected: similar to dydrogesterone (Jaccard=0.33) mefenamic_acid creutzfeldt-jakob_disease GAP_HIGH 0.122 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salsalate (Jaccard=0.32) procaine sclerosing_cholangitis GAP_HIGH 0.122 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to sulfanilamide (Jaccard=0.29) mestranol obesity GAP_HIGH 0.122 0.2631578947368421 medrysone High-priority: Binding assay mestranol→?; validate in obesity cell model. Expected: similar to medrysone (Jaccard=0.26) atropine muscle_cancer GAP_HIGH 0.122 0.25 alclometasone High-priority: Binding assay atropine→?; validate in muscle_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) lidocaine vitiligo GAP_HIGH 0.122 0.25 docetaxel High-priority: Binding assay lidocaine→?; validate in vitiligo cell model. Expected: similar to docetaxel (Jaccard=0.25) tolmetin chronic_obstructive_pulmonary_disease GAP_HIGH 0.122 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to bezafibrate (Jaccard=0.24) lapatinib allergic_rhinitis GAP_HIGH 0.122 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) lapatinib bipolar_disorder GAP_HIGH 0.122 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in bipolar_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) diethylpropion penile_cancer GAP_HIGH 0.122 0.21052631578947367 chloroprocaine High-priority: Binding assay diethylpropion→?; validate in penile_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.21) etonogestrel alzheimers_disease GAP_HIGH 0.122 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in alzheimers_disease cell model. Expected: similar to bifonazole (Jaccard=0.20) l-tryptophan crohns_disease GAP_HIGH 0.122 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in crohns_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) thalidomide gout GAP_HIGH 0.122 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in gout cell model. Expected: similar to olsalazine (Jaccard=0.19) phenelzine bone_cancer GAP_HIGH 0.122 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in bone_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) bepotastine focal_segmental_glomerulosclerosis GAP_HIGH 0.122 0.16666666666666666 perphenazine High-priority: Binding assay bepotastine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to perphenazine (Jaccard=0.17) ergocalciferol multiple_sclerosis GAP_HIGH 0.122 0.16666666666666666 rasagiline High-priority: Binding assay ergocalciferol→?; validate in multiple_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.17) procaine gestational_diabetes GAP_LOW 0.122 0.14285714285714285 tolbutamide Low-priority: Computational docking procaine vs gestational_diabetes targets. Cross-check procaine pharmacophore against gestational_diabetes pathway. chlorpropamide glaucoma GAP_LOW 0.122 0.125 chlorphenesin Low-priority: Computational docking chlorpropamide vs glaucoma targets. Cross-check chlorpropamide pharmacophore against glaucoma pathway. doxapram nephrolithiasis GAP_LOW 0.122 0.125 benzocaine Low-priority: Computational docking doxapram vs nephrolithiasis targets. Cross-check doxapram pharmacophore against nephrolithiasis pathway. hydrochlorothiazide gout GAP_LOW 0.122 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs gout targets. Cross-check hydrochlorothiazide pharmacophore against gout pathway. codeine esophageal_cancer GAP_LOW 0.122 0.1111111111111111 tamoxifen Low-priority: Computational docking codeine vs esophageal_cancer targets. Cross-check codeine pharmacophore against esophageal_cancer pathway. epinephrine kidney_cancer GAP_LOW 0.122 0.1 methotrexate Low-priority: Computational docking epinephrine vs kidney_cancer targets. Cross-check epinephrine pharmacophore against kidney_cancer pathway. l-tryptophan leprosy GAP_LOW 0.122 0.09090909090909091 menadione Low-priority: Computational docking l-tryptophan vs leprosy targets. Cross-check l-tryptophan pharmacophore against leprosy pathway. mepyramine gestational_diabetes GAP_LOW 0.122 0.09090909090909091 tolbutamide Low-priority: Computational docking mepyramine vs gestational_diabetes targets. Cross-check mepyramine pharmacophore against gestational_diabetes pathway. moexipril alopecia_areata GAP_LOW 0.122 0.09090909090909091 dexamethasone Low-priority: Computational docking moexipril vs alopecia_areata targets. Cross-check moexipril pharmacophore against alopecia_areata pathway. aminocaproic_acid prostate_cancer GAP_LOW 0.122 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs prostate_cancer targets. Cross-check aminocaproic_acid pharmacophore against prostate_cancer pathway. felypressin glaucoma GAP_LOW 0.122 0.07692307692307693 methacholine Low-priority: Computational docking felypressin vs glaucoma targets. Cross-check felypressin pharmacophore against glaucoma pathway. l-carnitine penile_cancer GAP_LOW 0.122 0.07692307692307693 topotecan Low-priority: Computational docking l-carnitine vs penile_cancer targets. Cross-check l-carnitine pharmacophore against penile_cancer pathway. streptozocin azoospermia GAP_LOW 0.122 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs azoospermia targets. Cross-check streptozocin pharmacophore against azoospermia pathway. terlipressin glaucoma GAP_LOW 0.122 0.07692307692307693 methacholine Low-priority: Computational docking terlipressin vs glaucoma targets. Cross-check terlipressin pharmacophore against glaucoma pathway. tafluprost prostate_cancer GAP_LOW 0.122 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking tafluprost vs prostate_cancer targets. Cross-check tafluprost pharmacophore against prostate_cancer pathway. calcitriol dilated_cardiomyopathy GAP_LOW 0.122 0.0625 medrysone Low-priority: Computational docking calcitriol vs dilated_cardiomyopathy targets. Cross-check calcitriol pharmacophore against dilated_cardiomyopathy pathway. candesartan gout GAP_LOW 0.122 0.05 droxidopa Low-priority: Computational docking candesartan vs gout targets. Cross-check candesartan pharmacophore against gout pathway. lubiprostone conduct_disorder GAP_LOW 0.122 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs conduct_disorder targets. Cross-check lubiprostone pharmacophore against conduct_disorder pathway. aminoglutethimide larynx_cancer GAP_LOW 0.122 0.0 vinblastine Low-priority: Computational docking aminoglutethimide vs larynx_cancer targets. Cross-check aminoglutethimide pharmacophore against larynx_cancer pathway. cortisone_acetate hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking cortisone_acetate vs hypothyroidism targets. Cross-check cortisone_acetate pharmacophore against hypothyroidism pathway. fluorometholone hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking fluorometholone vs hypothyroidism targets. Cross-check fluorometholone pharmacophore against hypothyroidism pathway. flurandrenolide hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking flurandrenolide vs hypothyroidism targets. Cross-check flurandrenolide pharmacophore against hypothyroidism pathway. loteprednol hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking loteprednol vs hypothyroidism targets. Cross-check loteprednol pharmacophore against hypothyroidism pathway. mequitazine hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking mequitazine vs hypothyroidism targets. Cross-check mequitazine pharmacophore against hypothyroidism pathway. methohexital brain_cancer GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking methohexital vs brain_cancer targets. Cross-check methohexital pharmacophore against brain_cancer pathway. methohexital intracranial_aneurysm GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking methohexital vs intracranial_aneurysm targets. Cross-check methohexital pharmacophore against intracranial_aneurysm pathway. penicillamine penile_cancer GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs penile_cancer targets. Cross-check penicillamine pharmacophore against penile_cancer pathway. phenobarbital brain_cancer GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs brain_cancer targets. Cross-check phenobarbital pharmacophore against brain_cancer pathway. phenobarbital intracranial_aneurysm GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs intracranial_aneurysm targets. Cross-check phenobarbital pharmacophore against intracranial_aneurysm pathway. prednicarbate hypothyroidism GAP_LOW 0.122 0.0 methimazole Low-priority: Computational docking prednicarbate vs hypothyroidism targets. Cross-check prednicarbate pharmacophore against hypothyroidism pathway. quazepam intracranial_aneurysm GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking quazepam vs intracranial_aneurysm targets. Cross-check quazepam pharmacophore against intracranial_aneurysm pathway. tetracycline brain_cancer GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs brain_cancer targets. Cross-check tetracycline pharmacophore against brain_cancer pathway. tetracycline intracranial_aneurysm GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs intracranial_aneurysm targets. Cross-check tetracycline pharmacophore against intracranial_aneurysm pathway. thiamylal brain_cancer GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs brain_cancer targets. Cross-check thiamylal pharmacophore against brain_cancer pathway. thiamylal intracranial_aneurysm GAP_LOW 0.122 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs intracranial_aneurysm targets. Cross-check thiamylal pharmacophore against intracranial_aneurysm pathway. valsartan larynx_cancer GAP_LOW 0.122 0.0 vinblastine Low-priority: Computational docking valsartan vs larynx_cancer targets. Cross-check valsartan pharmacophore against larynx_cancer pathway. zolmitriptan larynx_cancer GAP_LOW 0.122 0.0 vinblastine Low-priority: Computational docking zolmitriptan vs larynx_cancer targets. Cross-check zolmitriptan pharmacophore against larynx_cancer pathway. dimetacrine salivary_gland_cancer GAP_HIGH 0.1219 0.4074074074074074 methadone High-priority: Binding assay dimetacrine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.41) amitriptyline idiopathic_pulmonary_fibrosis GAP_HIGH 0.1219 0.36363636363636365 atomoxetine High-priority: Binding assay amitriptyline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.36) phensuximide mediastinal_cancer GAP_HIGH 0.1219 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) ethinyl_estradiol head_and_neck_cancer GAP_HIGH 0.1219 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in head_and_neck_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) indecainide melanoma GAP_HIGH 0.1219 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.29) prednisolone coronary_artery_disease GAP_HIGH 0.1219 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in coronary_artery_disease cell model. Expected: similar to amcinonide (Jaccard=0.29) atropine ocular_cancer GAP_HIGH 0.1219 0.25 alclometasone High-priority: Binding assay atropine→?; validate in ocular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) estrone dilated_cardiomyopathy GAP_HIGH 0.1219 0.25 acetyldigitoxin High-priority: Binding assay estrone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) fulvestrant pharynx_cancer GAP_HIGH 0.1219 0.25 loteprednol High-priority: Binding assay fulvestrant→?; validate in pharynx_cancer cell model. Expected: similar to loteprednol (Jaccard=0.25) lapatinib endogenous_depression GAP_HIGH 0.1219 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in endogenous_depression cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) acenocoumarol thyroid_cancer GAP_HIGH 0.1219 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) etonogestrel autistic_disorder GAP_HIGH 0.1219 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) l-phenylalanine prostate_cancer GAP_HIGH 0.1219 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in prostate_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) tamsulosin duodenum_cancer GAP_HIGH 0.1219 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) tamsulosin gallbladder_cancer GAP_HIGH 0.1219 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) fenbufen meningioma GAP_LOW 0.1219 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs meningioma targets. Cross-check fenbufen pharmacophore against meningioma pathway. choline hypertension GAP_LOW 0.1219 0.125 desipramine Low-priority: Computational docking choline vs hypertension targets. Cross-check choline pharmacophore against hypertension pathway. ephedrine alopecia_areata GAP_LOW 0.1219 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs alopecia_areata targets. Cross-check ephedrine pharmacophore against alopecia_areata pathway. ergocalciferol atherosclerosis GAP_LOW 0.1219 0.1 salicylate-sodium Low-priority: Computational docking ergocalciferol vs atherosclerosis targets. Cross-check ergocalciferol pharmacophore against atherosclerosis pathway. metaraminol atherosclerosis GAP_LOW 0.1219 0.1 phentermine Low-priority: Computational docking metaraminol vs atherosclerosis targets. Cross-check metaraminol pharmacophore against atherosclerosis pathway. methocarbamol thyroid_cancer GAP_LOW 0.1219 0.1 metipranolol Low-priority: Computational docking methocarbamol vs thyroid_cancer targets. Cross-check methocarbamol pharmacophore against thyroid_cancer pathway. l-aspartic_acid ocular_cancer GAP_LOW 0.1219 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs ocular_cancer targets. Cross-check l-aspartic_acid pharmacophore against ocular_cancer pathway. sulpiride vascular_cancer GAP_LOW 0.1219 0.09090909090909091 aciclovir Low-priority: Computational docking sulpiride vs vascular_cancer targets. Cross-check sulpiride pharmacophore against vascular_cancer pathway. nitrazepam leprosy GAP_LOW 0.1219 0.08333333333333333 sulfamethizole Low-priority: Computational docking nitrazepam vs leprosy targets. Cross-check nitrazepam pharmacophore against leprosy pathway. l-ornithine meningioma GAP_LOW 0.1219 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs meningioma targets. Cross-check l-ornithine pharmacophore against meningioma pathway. papaverine esophageal_cancer GAP_LOW 0.1219 0.045454545454545456 toremifene Low-priority: Computational docking papaverine vs esophageal_cancer targets. Cross-check papaverine pharmacophore against esophageal_cancer pathway. tamsulosin bone_cancer GAP_LOW 0.1219 0.045454545454545456 alendronate Low-priority: Computational docking tamsulosin vs bone_cancer targets. Cross-check tamsulosin pharmacophore against bone_cancer pathway. tauroursodeoxycholic_acid malignant_mesothelioma GAP_LOW 0.1219 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs malignant_mesothelioma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against malignant_mesothelioma pathway. epinephrine bone_cancer GAP_LOW 0.1219 0.0 ibandronate Low-priority: Computational docking epinephrine vs bone_cancer targets. Cross-check epinephrine pharmacophore against bone_cancer pathway. nabumetone bone_cancer GAP_LOW 0.1219 0.0 ibandronate Low-priority: Computational docking nabumetone vs bone_cancer targets. Cross-check nabumetone pharmacophore against bone_cancer pathway. nabumetone gestational_diabetes GAP_LOW 0.1219 0.0 tolazamide Low-priority: Computational docking nabumetone vs gestational_diabetes targets. Cross-check nabumetone pharmacophore against gestational_diabetes pathway. propofol salivary_gland_cancer GAP_LOW 0.1219 0.0 hydrocortisone Low-priority: Computational docking propofol vs salivary_gland_cancer targets. Cross-check propofol pharmacophore against salivary_gland_cancer pathway. salicylate-sodium psoriasis GAP_HIGH 0.1218 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in psoriasis cell model. Expected: similar to droxidopa (Jaccard=0.33) salicylate-sodium uterine_cancer GAP_HIGH 0.1218 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in uterine_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) phensuximide thymus_cancer GAP_HIGH 0.1218 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) pargyline salivary_gland_cancer GAP_HIGH 0.1218 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) bevantolol ankylosing_spondylitis GAP_HIGH 0.1218 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in ankylosing_spondylitis cell model. Expected: similar to propranolol (Jaccard=0.29) floctafenine vulva_cancer GAP_HIGH 0.1218 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in vulva_cancer cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) drostanolone restless_legs_syndrome GAP_HIGH 0.1218 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in restless_legs_syndrome cell model. Expected: similar to progesterone (Jaccard=0.26) phenoxybenzamine hematologic_cancer GAP_HIGH 0.1218 0.25 reboxetine High-priority: Binding assay phenoxybenzamine→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.25) lapatinib multiple_sclerosis GAP_HIGH 0.1218 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in multiple_sclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) lapatinib psoriasis GAP_HIGH 0.1218 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in psoriasis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) flunarizine muscle_cancer GAP_HIGH 0.1218 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) flunarizine pharynx_cancer GAP_HIGH 0.1218 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in pharynx_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) diethylpropion melanoma GAP_HIGH 0.1218 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.22) dimetindene sarcoma GAP_HIGH 0.1218 0.2222222222222222 reboxetine High-priority: Binding assay dimetindene→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.22) imatinib sclerosing_cholangitis GAP_HIGH 0.1218 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in sclerosing_cholangitis cell model. Expected: similar to sorafenib (Jaccard=0.21) droxidopa leprosy GAP_HIGH 0.1218 0.1724137931034483 sulfapyridine High-priority: Binding assay droxidopa→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.17) paricalcitol polycystic_ovary_syndrome GAP_HIGH 0.1218 0.16666666666666666 clopidogrel High-priority: Binding assay paricalcitol→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clopidogrel (Jaccard=0.17) phenylephrine membranous_glomerulonephritis GAP_HIGH 0.1218 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to ethopropazine (Jaccard=0.16) ergocalciferol penile_cancer GAP_LOW 0.1218 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs penile_cancer targets. Cross-check ergocalciferol pharmacophore against penile_cancer pathway. gliclazide head_and_neck_cancer GAP_LOW 0.1218 0.11764705882352941 procarbazine Low-priority: Computational docking gliclazide vs head_and_neck_cancer targets. Cross-check gliclazide pharmacophore against head_and_neck_cancer pathway. gliclazide malignant_glioma GAP_LOW 0.1218 0.11764705882352941 procarbazine Low-priority: Computational docking gliclazide vs malignant_glioma targets. Cross-check gliclazide pharmacophore against malignant_glioma pathway. floxuridine bone_cancer GAP_LOW 0.1218 0.1 tetrahydrofolic_acid Low-priority: Computational docking floxuridine vs bone_cancer targets. Cross-check floxuridine pharmacophore against bone_cancer pathway. quinestrol creutzfeldt-jakob_disease GAP_LOW 0.1218 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs creutzfeldt-jakob_disease targets. Cross-check quinestrol pharmacophore against creutzfeldt-jakob_disease pathway. aminocaproic_acid gout GAP_LOW 0.1218 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs gout targets. Cross-check aminocaproic_acid pharmacophore against gout pathway. aminocaproic_acid mediastinal_cancer GAP_LOW 0.1218 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs mediastinal_cancer targets. Cross-check aminocaproic_acid pharmacophore against mediastinal_cancer pathway. sulpiride urinary_bladder_cancer GAP_LOW 0.1218 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs urinary_bladder_cancer targets. Cross-check sulpiride pharmacophore against urinary_bladder_cancer pathway. l-ornithine ankylosing_spondylitis GAP_LOW 0.1218 0.07142857142857142 anisotropine_methylbromide Low-priority: Computational docking l-ornithine vs ankylosing_spondylitis targets. Cross-check l-ornithine pharmacophore against ankylosing_spondylitis pathway. candesartan pancreatitis GAP_LOW 0.1218 0.058823529411764705 phenylpropanolamine Low-priority: Computational docking candesartan vs pancreatitis targets. Cross-check candesartan pharmacophore against pancreatitis pathway. gliquidone prostate_cancer GAP_LOW 0.1218 0.05128205128205128 fenoprofen Low-priority: Computational docking gliquidone vs prostate_cancer targets. Cross-check gliquidone pharmacophore against prostate_cancer pathway. lubiprostone bipolar_disorder GAP_LOW 0.1218 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs bipolar_disorder targets. Cross-check lubiprostone pharmacophore against bipolar_disorder pathway. lubiprostone endogenous_depression GAP_LOW 0.1218 0.01694915254237288 l-citrulline Low-priority: Computational docking lubiprostone vs endogenous_depression targets. Cross-check lubiprostone pharmacophore against endogenous_depression pathway. lubiprostone epilepsy_syndrome GAP_LOW 0.1218 0.012048192771084338 l-glutamine Low-priority: Computational docking lubiprostone vs epilepsy_syndrome targets. Cross-check lubiprostone pharmacophore against epilepsy_syndrome pathway. acetylcysteine malignant_mesothelioma GAP_LOW 0.1218 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs malignant_mesothelioma targets. Cross-check acetylcysteine pharmacophore against malignant_mesothelioma pathway. penicillamine malignant_mesothelioma GAP_LOW 0.1218 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs malignant_mesothelioma targets. Cross-check penicillamine pharmacophore against malignant_mesothelioma pathway. acepromazine narcolepsy GAP_HIGH 0.1217 0.375 doxepin High-priority: Binding assay acepromazine→?; validate in narcolepsy cell model. Expected: similar to doxepin (Jaccard=0.38) doxepin uterine_fibroid GAP_HIGH 0.1217 0.375 acepromazine High-priority: Binding assay doxepin→?; validate in uterine_fibroid cell model. Expected: similar to acepromazine (Jaccard=0.38) droxidopa panic_disorder GAP_HIGH 0.1217 0.35294117647058826 arbutamine High-priority: Binding assay droxidopa→?; validate in panic_disorder cell model. Expected: similar to arbutamine (Jaccard=0.35) droxidopa schizophrenia GAP_HIGH 0.1217 0.35294117647058826 arbutamine High-priority: Binding assay droxidopa→?; validate in schizophrenia cell model. Expected: similar to arbutamine (Jaccard=0.35) fludiazepam skin_cancer GAP_HIGH 0.1217 0.3157894736842105 azatadine High-priority: Binding assay fludiazepam→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.32) floctafenine vascular_cancer GAP_HIGH 0.1217 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in vascular_cancer cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) indecainide focal_segmental_glomerulosclerosis GAP_HIGH 0.1217 0.25 cinacalcet High-priority: Binding assay indecainide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cinacalcet (Jaccard=0.25) phenindamine uterine_cancer GAP_HIGH 0.1217 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in uterine_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) flunarizine lung_cancer GAP_HIGH 0.1217 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) drostanolone esophageal_cancer GAP_HIGH 0.1217 0.2 fulvestrant High-priority: Binding assay drostanolone→?; validate in esophageal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) etonogestrel attention_deficit_hyperactivity_disorder GAP_HIGH 0.1217 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) l-tryptophan idiopathic_pulmonary_fibrosis GAP_HIGH 0.1217 0.2 isoprenaline High-priority: Binding assay l-tryptophan→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to isoprenaline (Jaccard=0.20) orphenadrine type_1_diabetes_mellitus GAP_HIGH 0.1217 0.2 benzatropine High-priority: Binding assay orphenadrine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.20) chlorthalidone melanoma GAP_HIGH 0.1217 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.18) calcipotriol sclerosing_cholangitis GAP_HIGH 0.1217 0.16666666666666666 ursodeoxycholic_acid High-priority: Binding assay calcipotriol→?; validate in sclerosing_cholangitis cell model. Expected: similar to ursodeoxycholic_acid (Jaccard=0.17) quinethazone creutzfeldt-jakob_disease GAP_HIGH 0.1217 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to nateglinide (Jaccard=0.17) carbidopa leprosy GAP_HIGH 0.1217 0.16129032258064516 sulfapyridine High-priority: Binding assay carbidopa→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.16) etidronic_acid crohns_disease GAP_LOW 0.1217 0.14285714285714285 dapsone Low-priority: Computational docking etidronic_acid vs crohns_disease targets. Cross-check etidronic_acid pharmacophore against crohns_disease pathway. gliclazide meningioma GAP_LOW 0.1217 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs meningioma targets. Cross-check gliclazide pharmacophore against meningioma pathway. halazepam idiopathic_pulmonary_fibrosis GAP_LOW 0.1217 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking halazepam vs idiopathic_pulmonary_fibrosis targets. Cross-check halazepam pharmacophore against idiopathic_pulmonary_fibrosis pathway. zafirlukast hepatitis_b GAP_LOW 0.1217 0.1111111111111111 trandolapril Low-priority: Computational docking zafirlukast vs hepatitis_b targets. Cross-check zafirlukast pharmacophore against hepatitis_b pathway. sotalol gestational_diabetes GAP_LOW 0.1217 0.10526315789473684 gliquidone Low-priority: Computational docking sotalol vs gestational_diabetes targets. Cross-check sotalol pharmacophore against gestational_diabetes pathway. halazepam glaucoma GAP_LOW 0.1217 0.09090909090909091 practolol Low-priority: Computational docking halazepam vs glaucoma targets. Cross-check halazepam pharmacophore against glaucoma pathway. aminocaproic_acid thymus_cancer GAP_LOW 0.1217 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs thymus_cancer targets. Cross-check aminocaproic_acid pharmacophore against thymus_cancer pathway. nisoldipine refractive_error GAP_LOW 0.1217 0.0625 propranolol Low-priority: Computational docking nisoldipine vs refractive_error targets. Cross-check nisoldipine pharmacophore against refractive_error pathway. naloxone dilated_cardiomyopathy GAP_LOW 0.1217 0.058823529411764705 drospirenone Low-priority: Computational docking naloxone vs dilated_cardiomyopathy targets. Cross-check naloxone pharmacophore against dilated_cardiomyopathy pathway. l-aspartic_acid esophageal_cancer GAP_LOW 0.1217 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs esophageal_cancer targets. Cross-check l-aspartic_acid pharmacophore against esophageal_cancer pathway. l-methionine atherosclerosis GAP_LOW 0.1217 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs atherosclerosis targets. Cross-check l-methionine pharmacophore against atherosclerosis pathway. amiloride malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking amiloride vs malaria targets. Cross-check amiloride pharmacophore against malaria pathway. benazepril malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking benazepril vs malaria targets. Cross-check benazepril pharmacophore against malaria pathway. candesartan malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking candesartan vs malaria targets. Cross-check candesartan pharmacophore against malaria pathway. captopril malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking captopril vs malaria targets. Cross-check captopril pharmacophore against malaria pathway. carvedilol malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking carvedilol vs malaria targets. Cross-check carvedilol pharmacophore against malaria pathway. estriol malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking estriol vs malaria targets. Cross-check estriol pharmacophore against malaria pathway. estropipate malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking estropipate vs malaria targets. Cross-check estropipate pharmacophore against malaria pathway. mannitol malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking mannitol vs malaria targets. Cross-check mannitol pharmacophore against malaria pathway. tauroursodeoxycholic_acid malaria GAP_LOW 0.1217 0.0 ethotoin Low-priority: Computational docking tauroursodeoxycholic_acid vs malaria targets. Cross-check tauroursodeoxycholic_acid pharmacophore against malaria pathway. dimetacrine ocular_cancer GAP_HIGH 0.1216 0.4074074074074074 methadone High-priority: Binding assay dimetacrine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.41) norethindrone sclerosing_cholangitis GAP_HIGH 0.1216 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in sclerosing_cholangitis cell model. Expected: similar to dydrogesterone (Jaccard=0.33) azatadine sarcoma GAP_HIGH 0.1216 0.3 raloxifene High-priority: Binding assay azatadine→?; validate in sarcoma cell model. Expected: similar to raloxifene (Jaccard=0.30) midazolam testicular_cancer GAP_HIGH 0.1216 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in testicular_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) midazolam vaginal_cancer GAP_HIGH 0.1216 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in vaginal_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) midazolam vulva_cancer GAP_HIGH 0.1216 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in vulva_cancer cell model. Expected: similar to clozapine (Jaccard=0.29) mitiglinide colon_cancer GAP_HIGH 0.1216 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in colon_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) alverine salivary_gland_cancer GAP_HIGH 0.1216 0.28 methadone High-priority: Binding assay alverine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.28) dextroamphetamine testicular_cancer GAP_HIGH 0.1216 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) dextroamphetamine vaginal_cancer GAP_HIGH 0.1216 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) dextroamphetamine vulva_cancer GAP_HIGH 0.1216 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) drostanolone vitiligo GAP_HIGH 0.1216 0.25925925925925924 progesterone High-priority: Binding assay drostanolone→?; validate in vitiligo cell model. Expected: similar to progesterone (Jaccard=0.26) aceprometazine melanoma GAP_HIGH 0.1216 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.25) eplerenone amyotrophic_lateral_sclerosis GAP_HIGH 0.1216 0.25 fludrocortisone High-priority: Binding assay eplerenone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.25) glucosamine duodenum_cancer GAP_HIGH 0.1216 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) glucosamine gallbladder_cancer GAP_HIGH 0.1216 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) glucosamine melanoma GAP_HIGH 0.1216 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.25) midazolam membranous_glomerulonephritis GAP_HIGH 0.1216 0.25 chlorthalidone High-priority: Binding assay midazolam→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorthalidone (Jaccard=0.25) podofilox alzheimers_disease GAP_HIGH 0.1216 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in alzheimers_disease cell model. Expected: similar to amsacrine (Jaccard=0.25) methamphetamine celiac_disease GAP_HIGH 0.1216 0.24 phenacemide High-priority: Binding assay methamphetamine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.24) droperidol systemic_lupus_erythematosus GAP_HIGH 0.1216 0.2 cetirizine High-priority: Binding assay droperidol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.20) epirubicin focal_segmental_glomerulosclerosis GAP_HIGH 0.1216 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to amsacrine (Jaccard=0.20) l-phenylalanine gout GAP_HIGH 0.1216 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in gout cell model. Expected: similar to cyclopentolate (Jaccard=0.20) l-phenylalanine primary_biliary_cirrhosis GAP_HIGH 0.1216 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.20) selegiline meningioma GAP_HIGH 0.1216 0.2 topotecan High-priority: Binding assay selegiline→?; validate in meningioma cell model. Expected: similar to topotecan (Jaccard=0.20) tamsulosin sclerosing_cholangitis GAP_HIGH 0.1216 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.17) deferasirox gout GAP_HIGH 0.1216 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in gout cell model. Expected: similar to vismodegib (Jaccard=0.17) deferasirox primary_biliary_cirrhosis GAP_HIGH 0.1216 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to vismodegib (Jaccard=0.17) nilotinib hematologic_cancer GAP_HIGH 0.1216 0.16129032258064516 ponatinib High-priority: Binding assay nilotinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.16) ergocalciferol malignant_mesothelioma GAP_LOW 0.1216 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs malignant_mesothelioma targets. Cross-check ergocalciferol pharmacophore against malignant_mesothelioma pathway. hydromorphone alopecia_areata GAP_LOW 0.1216 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs alopecia_areata targets. Cross-check hydromorphone pharmacophore against alopecia_areata pathway. gliclazide refractive_error GAP_LOW 0.1216 0.11764705882352941 procarbazine Low-priority: Computational docking gliclazide vs refractive_error targets. Cross-check gliclazide pharmacophore against refractive_error pathway. moexipril membranous_glomerulonephritis GAP_LOW 0.1216 0.1111111111111111 alvimopan Low-priority: Computational docking moexipril vs membranous_glomerulonephritis targets. Cross-check moexipril pharmacophore against membranous_glomerulonephritis pathway. zolpidem intracranial_aneurysm GAP_LOW 0.1216 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs intracranial_aneurysm targets. Cross-check zolpidem pharmacophore against intracranial_aneurysm pathway. quinestrol autistic_disorder GAP_LOW 0.1216 0.1 bifonazole Low-priority: Computational docking quinestrol vs autistic_disorder targets. Cross-check quinestrol pharmacophore against autistic_disorder pathway. travoprost alzheimers_disease GAP_LOW 0.1216 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs alzheimers_disease targets. Cross-check travoprost pharmacophore against alzheimers_disease pathway. travoprost parkinsons_disease GAP_LOW 0.1216 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs parkinsons_disease targets. Cross-check travoprost pharmacophore against parkinsons_disease pathway. aminocaproic_acid coronary_artery_disease GAP_LOW 0.1216 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs coronary_artery_disease targets. Cross-check aminocaproic_acid pharmacophore against coronary_artery_disease pathway. l-asparagine panic_disorder GAP_LOW 0.1216 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs panic_disorder targets. Cross-check l-asparagine pharmacophore against panic_disorder pathway. l-asparagine schizophrenia GAP_LOW 0.1216 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs schizophrenia targets. Cross-check l-asparagine pharmacophore against schizophrenia pathway. isradipine sclerosing_cholangitis GAP_LOW 0.1216 0.08 diphenylpyraline Low-priority: Computational docking isradipine vs sclerosing_cholangitis targets. Cross-check isradipine pharmacophore against sclerosing_cholangitis pathway. ramipril leprosy GAP_LOW 0.1216 0.07692307692307693 sulfapyridine Low-priority: Computational docking ramipril vs leprosy targets. Cross-check ramipril pharmacophore against leprosy pathway. streptozocin type_1_diabetes_mellitus GAP_LOW 0.1216 0.0625 droxidopa Low-priority: Computational docking streptozocin vs type_1_diabetes_mellitus targets. Cross-check streptozocin pharmacophore against type_1_diabetes_mellitus pathway. l-aspartic_acid larynx_cancer GAP_LOW 0.1216 0.043478260869565216 doxorubicin Low-priority: Computational docking l-aspartic_acid vs larynx_cancer targets. Cross-check l-aspartic_acid pharmacophore against larynx_cancer pathway. acetic_acid alcohol_dependence GAP_LOW 0.1216 0.0 midazolam Low-priority: Computational docking acetic_acid vs alcohol_dependence targets. Cross-check acetic_acid pharmacophore against alcohol_dependence pathway. clotrimazole hypothyroidism GAP_LOW 0.1216 0.0 methimazole Low-priority: Computational docking clotrimazole vs hypothyroidism targets. Cross-check clotrimazole pharmacophore against hypothyroidism pathway. pirenzepine hypothyroidism GAP_LOW 0.1216 0.0 methimazole Low-priority: Computational docking pirenzepine vs hypothyroidism targets. Cross-check pirenzepine pharmacophore against hypothyroidism pathway. propofol ocular_cancer GAP_LOW 0.1216 0.0 hydrocortisone Low-priority: Computational docking propofol vs ocular_cancer targets. Cross-check propofol pharmacophore against ocular_cancer pathway. streptozocin alcohol_dependence GAP_LOW 0.1216 0.0 midazolam Low-priority: Computational docking streptozocin vs alcohol_dependence targets. Cross-check streptozocin pharmacophore against alcohol_dependence pathway. trimipramine rectum_cancer GAP_HIGH 0.1215 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in rectum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) promazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1215 0.43478260869565216 toremifene High-priority: Binding assay promazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to toremifene (Jaccard=0.43) pheniramine primary_biliary_cirrhosis GAP_HIGH 0.1215 0.3684210526315789 benzatropine High-priority: Binding assay pheniramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.37) temazepam thyroid_cancer GAP_HIGH 0.1215 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) doxorubicin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1215 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to dexamethasone (Jaccard=0.29) mitiglinide stomach_cancer GAP_HIGH 0.1215 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in stomach_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) procaine ankylosing_spondylitis GAP_HIGH 0.1215 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.29) dextroamphetamine vascular_cancer GAP_HIGH 0.1215 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) oxazepam sarcoma GAP_HIGH 0.1215 0.25925925925925924 chlorcyclizine High-priority: Binding assay oxazepam→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) atropine urinary_bladder_cancer GAP_HIGH 0.1215 0.25 alclometasone High-priority: Binding assay atropine→?; validate in urinary_bladder_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) podofilox autistic_disorder GAP_HIGH 0.1215 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in autistic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox nicotine_dependence GAP_HIGH 0.1215 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in nicotine_dependence cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox parkinsons_disease GAP_HIGH 0.1215 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in parkinsons_disease cell model. Expected: similar to amsacrine (Jaccard=0.25) testosterone germ_cell_cancer GAP_HIGH 0.1215 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in germ_cell_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) phenindione sclerosing_cholangitis GAP_HIGH 0.1215 0.21428571428571427 midazolam High-priority: Binding assay phenindione→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.21) sotalol prostate_cancer GAP_HIGH 0.1215 0.21052631578947367 fenoprofen High-priority: Binding assay sotalol→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) levomilnacipran uterine_cancer GAP_HIGH 0.1215 0.2 tamoxifen High-priority: Binding assay levomilnacipran→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) sulfaphenazole refractive_error GAP_HIGH 0.1215 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in refractive_error cell model. Expected: similar to droxidopa (Jaccard=0.19) anileridine esophageal_cancer GAP_HIGH 0.1215 0.1875 tamoxifen High-priority: Binding assay anileridine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.19) levomilnacipran idiopathic_pulmonary_fibrosis GAP_HIGH 0.1215 0.18181818181818182 atomoxetine High-priority: Binding assay levomilnacipran→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.18) doxylamine penile_cancer GAP_HIGH 0.1215 0.17647058823529413 phenylbutazone High-priority: Binding assay doxylamine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) pralatrexate autistic_disorder GAP_HIGH 0.1215 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) pralatrexate nicotine_dependence GAP_HIGH 0.1215 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.17) calcidiol primary_biliary_cirrhosis GAP_LOW 0.1215 0.14285714285714285 tauroursodeoxycholic_acid Low-priority: Computational docking calcidiol vs primary_biliary_cirrhosis targets. Cross-check calcidiol pharmacophore against primary_biliary_cirrhosis pathway. calcitriol prostate_cancer GAP_LOW 0.1215 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs prostate_cancer targets. Cross-check calcitriol pharmacophore against prostate_cancer pathway. travoprost amyotrophic_lateral_sclerosis GAP_LOW 0.1215 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs amyotrophic_lateral_sclerosis targets. Cross-check travoprost pharmacophore against amyotrophic_lateral_sclerosis pathway. travoprost autistic_disorder GAP_LOW 0.1215 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs autistic_disorder targets. Cross-check travoprost pharmacophore against autistic_disorder pathway. travoprost nicotine_dependence GAP_LOW 0.1215 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs nicotine_dependence targets. Cross-check travoprost pharmacophore against nicotine_dependence pathway. hydrochlorothiazide malaria GAP_LOW 0.1215 0.08333333333333333 sulfamethizole Low-priority: Computational docking hydrochlorothiazide vs malaria targets. Cross-check hydrochlorothiazide pharmacophore against malaria pathway. methocarbamol head_and_neck_cancer GAP_LOW 0.1215 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs head_and_neck_cancer targets. Cross-check methocarbamol pharmacophore against head_and_neck_cancer pathway. methocarbamol malignant_glioma GAP_LOW 0.1215 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs malignant_glioma targets. Cross-check methocarbamol pharmacophore against malignant_glioma pathway. tafluprost hematologic_cancer GAP_LOW 0.1215 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking tafluprost vs hematologic_cancer targets. Cross-check tafluprost pharmacophore against hematologic_cancer pathway. ergocalciferol dilated_cardiomyopathy GAP_LOW 0.1215 0.0625 drospirenone Low-priority: Computational docking ergocalciferol vs dilated_cardiomyopathy targets. Cross-check ergocalciferol pharmacophore against dilated_cardiomyopathy pathway. candesartan lung_cancer GAP_LOW 0.1215 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs lung_cancer targets. Cross-check candesartan pharmacophore against lung_cancer pathway. candesartan rectum_cancer GAP_LOW 0.1215 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs rectum_cancer targets. Cross-check candesartan pharmacophore against rectum_cancer pathway. chlorpropamide dilated_cardiomyopathy GAP_LOW 0.1215 0.05 trandolapril Low-priority: Computational docking chlorpropamide vs dilated_cardiomyopathy targets. Cross-check chlorpropamide pharmacophore against dilated_cardiomyopathy pathway. bevantolol pagets_disease_of_bone GAP_LOW 0.1215 0.0 ibandronate Low-priority: Computational docking bevantolol vs pagets_disease_of_bone targets. Cross-check bevantolol pharmacophore against pagets_disease_of_bone pathway. calcium_acetate acquired_immunodeficiency_syndrome GAP_LOW 0.1215 0.0 mitiglinide Low-priority: Computational docking calcium_acetate vs acquired_immunodeficiency_syndrome targets. Cross-check calcium_acetate pharmacophore against acquired_immunodeficiency_syndrome pathway. cyproterone_acetate pagets_disease_of_bone GAP_LOW 0.1215 0.0 ibandronate Low-priority: Computational docking cyproterone_acetate vs pagets_disease_of_bone targets. Cross-check cyproterone_acetate pharmacophore against pagets_disease_of_bone pathway. lercanidipine acquired_immunodeficiency_syndrome GAP_LOW 0.1215 0.0 mitiglinide Low-priority: Computational docking lercanidipine vs acquired_immunodeficiency_syndrome targets. Cross-check lercanidipine pharmacophore against acquired_immunodeficiency_syndrome pathway. metoclopramide pagets_disease_of_bone GAP_LOW 0.1215 0.0 ibandronate Low-priority: Computational docking metoclopramide vs pagets_disease_of_bone targets. Cross-check metoclopramide pharmacophore against pagets_disease_of_bone pathway. midazolam pagets_disease_of_bone GAP_LOW 0.1215 0.0 ibandronate Low-priority: Computational docking midazolam vs pagets_disease_of_bone targets. Cross-check midazolam pharmacophore against pagets_disease_of_bone pathway. vismodegib pagets_disease_of_bone GAP_LOW 0.1215 0.0 ibandronate Low-priority: Computational docking vismodegib vs pagets_disease_of_bone targets. Cross-check vismodegib pharmacophore against pagets_disease_of_bone pathway. trimipramine liver_cancer GAP_HIGH 0.1214 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in liver_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) exemestane breast_cancer GAP_HIGH 0.1214 0.3333333333333333 testolactone High-priority: Binding assay exemestane→?; validate in breast_cancer cell model. Expected: similar to testolactone (Jaccard=0.33) mefenamic_acid chronic_obstructive_pulmonary_disease GAP_HIGH 0.1214 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salsalate (Jaccard=0.32) salsalate focal_segmental_glomerulosclerosis GAP_HIGH 0.1214 0.3157894736842105 mefenamic_acid High-priority: Binding assay salsalate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to mefenamic_acid (Jaccard=0.32) lamivudine type_2_diabetes_mellitus GAP_HIGH 0.1214 0.2857142857142857 gemcitabine High-priority: Binding assay lamivudine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.29) floctafenine uterine_fibroid GAP_HIGH 0.1214 0.26666666666666666 mefenamic_acid High-priority: Binding assay floctafenine→?; validate in uterine_fibroid cell model. Expected: similar to mefenamic_acid (Jaccard=0.27) acenocoumarol muscle_cancer GAP_HIGH 0.1214 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in muscle_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) etonogestrel conduct_disorder GAP_HIGH 0.1214 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in conduct_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) etonogestrel panic_disorder GAP_HIGH 0.1214 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in panic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) etonogestrel schizophrenia GAP_HIGH 0.1214 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in schizophrenia cell model. Expected: similar to bifonazole (Jaccard=0.20) l-tryptophan gout GAP_HIGH 0.1214 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in gout cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) l-tryptophan mediastinal_cancer GAP_HIGH 0.1214 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in mediastinal_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) l-tryptophan primary_biliary_cirrhosis GAP_HIGH 0.1214 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.20) lenalidomide systemic_scleroderma GAP_HIGH 0.1214 0.2 streptozocin High-priority: Binding assay lenalidomide→?; validate in systemic_scleroderma cell model. Expected: similar to streptozocin (Jaccard=0.20) mepenzolate penile_cancer GAP_HIGH 0.1214 0.1875 phenylbutazone High-priority: Binding assay mepenzolate→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) dasatinib epilepsy_syndrome GAP_HIGH 0.1214 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) naloxone crohns_disease GAP_HIGH 0.1214 0.16666666666666666 sorafenib High-priority: Binding assay naloxone→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.17) pomalidomide germ_cell_cancer GAP_HIGH 0.1214 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) chlorphenesin malaria GAP_LOW 0.1214 0.14285714285714285 talbutal Low-priority: Computational docking chlorphenesin vs malaria targets. Cross-check chlorphenesin pharmacophore against malaria pathway. etidronic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1214 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check etidronic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. melatonin mediastinal_cancer GAP_LOW 0.1214 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs mediastinal_cancer targets. Cross-check melatonin pharmacophore against mediastinal_cancer pathway. nabumetone prostate_cancer GAP_LOW 0.1214 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs prostate_cancer targets. Cross-check nabumetone pharmacophore against prostate_cancer pathway. halazepam pharynx_cancer GAP_LOW 0.1214 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs pharynx_cancer targets. Cross-check halazepam pharmacophore against pharynx_cancer pathway. quinestrol attention_deficit_hyperactivity_disorder GAP_LOW 0.1214 0.1 bifonazole Low-priority: Computational docking quinestrol vs attention_deficit_hyperactivity_disorder targets. Cross-check quinestrol pharmacophore against attention_deficit_hyperactivity_disorder pathway. sulfamethizole alcohol_dependence GAP_LOW 0.1214 0.0975609756097561 mazindol Low-priority: Computational docking sulfamethizole vs alcohol_dependence targets. Cross-check sulfamethizole pharmacophore against alcohol_dependence pathway. treprostinil kidney_cancer GAP_LOW 0.1214 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs kidney_cancer targets. Cross-check treprostinil pharmacophore against kidney_cancer pathway. methocarbamol kidney_cancer GAP_LOW 0.1214 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs kidney_cancer targets. Cross-check methocarbamol pharmacophore against kidney_cancer pathway. l-asparagine azoospermia GAP_LOW 0.1214 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs azoospermia targets. Cross-check l-asparagine pharmacophore against azoospermia pathway. midodrine malaria GAP_LOW 0.1214 0.0625 sulfamethizole Low-priority: Computational docking midodrine vs malaria targets. Cross-check midodrine pharmacophore against malaria pathway. candesartan liver_cancer GAP_LOW 0.1214 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs liver_cancer targets. Cross-check candesartan pharmacophore against liver_cancer pathway. l-citrulline atherosclerosis GAP_LOW 0.1214 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs atherosclerosis targets. Cross-check l-citrulline pharmacophore against atherosclerosis pathway. l-cysteine malaria GAP_LOW 0.1214 0.04081632653061224 methylphenobarbital Low-priority: Computational docking l-cysteine vs malaria targets. Cross-check l-cysteine pharmacophore against malaria pathway. calcium_acetate penile_cancer GAP_LOW 0.1214 0.04 procaine Low-priority: Computational docking calcium_acetate vs penile_cancer targets. Cross-check calcium_acetate pharmacophore against penile_cancer pathway. candesartan penile_cancer GAP_LOW 0.1214 0.04 cinchocaine Low-priority: Computational docking candesartan vs penile_cancer targets. Cross-check candesartan pharmacophore against penile_cancer pathway. alimemazine germ_cell_cancer GAP_HIGH 0.1213 0.3333333333333333 tamoxifen High-priority: Binding assay alimemazine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.33) bevantolol pancreatitis GAP_HIGH 0.1213 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in pancreatitis cell model. Expected: similar to propranolol (Jaccard=0.29) bevantolol salivary_gland_cancer GAP_HIGH 0.1213 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in salivary_gland_cancer cell model. Expected: similar to propranolol (Jaccard=0.29) mitiglinide osteoporosis GAP_HIGH 0.1213 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in osteoporosis cell model. Expected: similar to methylphenidate (Jaccard=0.29) mitiglinide ovarian_cancer GAP_HIGH 0.1213 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in ovarian_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.29) procaine epilepsy_syndrome GAP_HIGH 0.1213 0.2857142857142857 aminoglutethimide High-priority: Binding assay procaine→?; validate in epilepsy_syndrome cell model. Expected: similar to aminoglutethimide (Jaccard=0.29) fludiazepam malignant_mesothelioma GAP_HIGH 0.1213 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) alverine ocular_cancer GAP_HIGH 0.1213 0.28 methadone High-priority: Binding assay alverine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.28) fulvestrant salivary_gland_cancer GAP_HIGH 0.1213 0.25 loteprednol High-priority: Binding assay fulvestrant→?; validate in salivary_gland_cancer cell model. Expected: similar to loteprednol (Jaccard=0.25) flunarizine urinary_bladder_cancer GAP_HIGH 0.1213 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) procarbazine chronic_kidney_failure GAP_HIGH 0.1213 0.21212121212121213 fenoprofen High-priority: Binding assay procarbazine→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.21) imatinib ankylosing_spondylitis GAP_HIGH 0.1213 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate coronary_artery_disease GAP_HIGH 0.1213 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in coronary_artery_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) floxuridine gout GAP_HIGH 0.1213 0.2 methotrexate High-priority: Binding assay floxuridine→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.20) l-tryptophan thymus_cancer GAP_HIGH 0.1213 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in thymus_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) practolol ankylosing_spondylitis GAP_HIGH 0.1213 0.18181818181818182 nitrazepam High-priority: Binding assay practolol→?; validate in ankylosing_spondylitis cell model. Expected: similar to nitrazepam (Jaccard=0.18) tamsulosin pharynx_cancer GAP_HIGH 0.1213 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) pralatrexate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1213 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) zafirlukast thymus_cancer GAP_HIGH 0.1213 0.15384615384615385 linaclotide High-priority: Binding assay zafirlukast→?; validate in thymus_cancer cell model. Expected: similar to linaclotide (Jaccard=0.15) atenolol type_1_diabetes_mellitus GAP_LOW 0.1213 0.14285714285714285 gliquidone Low-priority: Computational docking atenolol vs type_1_diabetes_mellitus targets. Cross-check atenolol pharmacophore against type_1_diabetes_mellitus pathway. melatonin thymus_cancer GAP_LOW 0.1213 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs thymus_cancer targets. Cross-check melatonin pharmacophore against thymus_cancer pathway. calcitriol head_and_neck_cancer GAP_LOW 0.1213 0.125 loteprednol Low-priority: Computational docking calcitriol vs head_and_neck_cancer targets. Cross-check calcitriol pharmacophore against head_and_neck_cancer pathway. calcitriol malignant_glioma GAP_LOW 0.1213 0.125 loteprednol Low-priority: Computational docking calcitriol vs malignant_glioma targets. Cross-check calcitriol pharmacophore against malignant_glioma pathway. ergocalciferol glaucoma GAP_LOW 0.1213 0.125 methacholine Low-priority: Computational docking ergocalciferol vs glaucoma targets. Cross-check ergocalciferol pharmacophore against glaucoma pathway. ketazolam celiac_disease GAP_LOW 0.1213 0.125 chlorcyclizine Low-priority: Computational docking ketazolam vs celiac_disease targets. Cross-check ketazolam pharmacophore against celiac_disease pathway. l-citrulline duodenum_cancer GAP_LOW 0.1213 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs duodenum_cancer targets. Cross-check l-citrulline pharmacophore against duodenum_cancer pathway. l-citrulline gallbladder_cancer GAP_LOW 0.1213 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs gallbladder_cancer targets. Cross-check l-citrulline pharmacophore against gallbladder_cancer pathway. l-citrulline melanoma GAP_LOW 0.1213 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs melanoma targets. Cross-check l-citrulline pharmacophore against melanoma pathway. ponatinib esophageal_cancer GAP_LOW 0.1213 0.125 etoricoxib Low-priority: Computational docking ponatinib vs esophageal_cancer targets. Cross-check ponatinib pharmacophore against esophageal_cancer pathway. vitamin_a germ_cell_cancer GAP_LOW 0.1213 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs germ_cell_cancer targets. Cross-check vitamin_a pharmacophore against germ_cell_cancer pathway. fenbufen glaucoma GAP_LOW 0.1213 0.11538461538461539 pseudoephedrine Low-priority: Computational docking fenbufen vs glaucoma targets. Cross-check fenbufen pharmacophore against glaucoma pathway. choline chronic_kidney_failure GAP_LOW 0.1213 0.09090909090909091 floctafenine Low-priority: Computational docking choline vs chronic_kidney_failure targets. Cross-check choline pharmacophore against chronic_kidney_failure pathway. travoprost attention_deficit_hyperactivity_disorder GAP_LOW 0.1213 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs attention_deficit_hyperactivity_disorder targets. Cross-check travoprost pharmacophore against attention_deficit_hyperactivity_disorder pathway. tropicamide esophageal_cancer GAP_LOW 0.1213 0.09090909090909091 fludrocortisone Low-priority: Computational docking tropicamide vs esophageal_cancer targets. Cross-check tropicamide pharmacophore against esophageal_cancer pathway. felypressin azoospermia GAP_LOW 0.1213 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs azoospermia targets. Cross-check felypressin pharmacophore against azoospermia pathway. nimodipine duodenum_cancer GAP_LOW 0.1213 0.08333333333333333 moricizine Low-priority: Computational docking nimodipine vs duodenum_cancer targets. Cross-check nimodipine pharmacophore against duodenum_cancer pathway. nimodipine gallbladder_cancer GAP_LOW 0.1213 0.08333333333333333 moricizine Low-priority: Computational docking nimodipine vs gallbladder_cancer targets. Cross-check nimodipine pharmacophore against gallbladder_cancer pathway. treprostinil nephrolithiasis GAP_LOW 0.1213 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs nephrolithiasis targets. Cross-check treprostinil pharmacophore against nephrolithiasis pathway. methocarbamol nephrolithiasis GAP_LOW 0.1213 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs nephrolithiasis targets. Cross-check methocarbamol pharmacophore against nephrolithiasis pathway. aminocaproic_acid refractive_error GAP_LOW 0.1213 0.06896551724137931 l-dopa Low-priority: Computational docking aminocaproic_acid vs refractive_error targets. Cross-check aminocaproic_acid pharmacophore against refractive_error pathway. sulpiride mediastinal_cancer GAP_LOW 0.1213 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs mediastinal_cancer targets. Cross-check sulpiride pharmacophore against mediastinal_cancer pathway. thalidomide dilated_cardiomyopathy GAP_LOW 0.1213 0.06666666666666667 trandolapril Low-priority: Computational docking thalidomide vs dilated_cardiomyopathy targets. Cross-check thalidomide pharmacophore against dilated_cardiomyopathy pathway. vorinostat lymphatic_system_cancer GAP_LOW 0.1213 0.06666666666666667 lamivudine Low-priority: Computational docking vorinostat vs lymphatic_system_cancer targets. Cross-check vorinostat pharmacophore against lymphatic_system_cancer pathway. colchicine lymphatic_system_cancer GAP_LOW 0.1213 0.0625 lamivudine Low-priority: Computational docking colchicine vs lymphatic_system_cancer targets. Cross-check colchicine pharmacophore against lymphatic_system_cancer pathway. candesartan nicotine_dependence GAP_LOW 0.1213 0.058823529411764705 phenylpropanolamine Low-priority: Computational docking candesartan vs nicotine_dependence targets. Cross-check candesartan pharmacophore against nicotine_dependence pathway. papaverine kidney_cancer GAP_LOW 0.1213 0.05263157894736842 proparacaine Low-priority: Computational docking papaverine vs kidney_cancer targets. Cross-check papaverine pharmacophore against kidney_cancer pathway. methocarbamol lymphatic_system_cancer GAP_LOW 0.1213 0.038461538461538464 riboflavin Low-priority: Computational docking methocarbamol vs lymphatic_system_cancer targets. Cross-check methocarbamol pharmacophore against lymphatic_system_cancer pathway. alimemazine hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking alimemazine vs hypothyroidism targets. Cross-check alimemazine pharmacophore against hypothyroidism pathway. betamethasone hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking betamethasone vs hypothyroidism targets. Cross-check betamethasone pharmacophore against hypothyroidism pathway. meclizine hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking meclizine vs hypothyroidism targets. Cross-check meclizine pharmacophore against hypothyroidism pathway. methotrimeprazine hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking methotrimeprazine vs hypothyroidism targets. Cross-check methotrimeprazine pharmacophore against hypothyroidism pathway. phenytoin hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking phenytoin vs hypothyroidism targets. Cross-check phenytoin pharmacophore against hypothyroidism pathway. promethazine hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking promethazine vs hypothyroidism targets. Cross-check promethazine pharmacophore against hypothyroidism pathway. propofol peripheral_nervous_system_neoplasm GAP_LOW 0.1213 0.0 hydrocortisone Low-priority: Computational docking propofol vs peripheral_nervous_system_neoplasm targets. Cross-check propofol pharmacophore against peripheral_nervous_system_neoplasm pathway. trifluoperazine hypothyroidism GAP_LOW 0.1213 0.0 methimazole Low-priority: Computational docking trifluoperazine vs hypothyroidism targets. Cross-check trifluoperazine pharmacophore against hypothyroidism pathway. salsalate rheumatoid_arthritis GAP_HIGH 0.1212 0.38095238095238093 bromfenac High-priority: Binding assay salsalate→?; validate in rheumatoid_arthritis cell model. Expected: similar to bromfenac (Jaccard=0.38) salicylate-sodium testicular_cancer GAP_HIGH 0.1212 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in testicular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) salicylate-sodium vaginal_cancer GAP_HIGH 0.1212 0.3333333333333333 droxidopa High-priority: Binding assay salicylate-sodium→?; validate in vaginal_cancer cell model. Expected: similar to droxidopa (Jaccard=0.33) pargyline urinary_bladder_cancer GAP_HIGH 0.1212 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) doxorubicin gout GAP_HIGH 0.1212 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in gout cell model. Expected: similar to dexamethasone (Jaccard=0.29) dextroamphetamine uterine_fibroid GAP_HIGH 0.1212 0.26666666666666666 lacosamide High-priority: Binding assay dextroamphetamine→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.27) aprindine prostate_cancer GAP_HIGH 0.1212 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.26) pargyline celiac_disease GAP_HIGH 0.1212 0.25925925925925924 phenacemide High-priority: Binding assay pargyline→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.26) suprofen membranous_glomerulonephritis GAP_HIGH 0.1212 0.2571428571428571 fenoprofen High-priority: Binding assay suprofen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.26) erlotinib larynx_cancer GAP_HIGH 0.1212 0.25 docetaxel High-priority: Binding assay erlotinib→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) podofilox attention_deficit_hyperactivity_disorder GAP_HIGH 0.1212 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to amsacrine (Jaccard=0.25) flunarizine salivary_gland_cancer GAP_HIGH 0.1212 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in salivary_gland_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) gemcitabine brain_cancer GAP_HIGH 0.1212 0.2222222222222222 methotrexate High-priority: Binding assay gemcitabine→?; validate in brain_cancer cell model. Expected: similar to methotrexate (Jaccard=0.22) gemcitabine intracranial_aneurysm GAP_HIGH 0.1212 0.2222222222222222 methotrexate High-priority: Binding assay gemcitabine→?; validate in intracranial_aneurysm cell model. Expected: similar to methotrexate (Jaccard=0.22) etonogestrel bipolar_disorder GAP_HIGH 0.1212 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in bipolar_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) etonogestrel endogenous_depression GAP_HIGH 0.1212 0.2 bifonazole High-priority: Binding assay etonogestrel→?; validate in endogenous_depression cell model. Expected: similar to bifonazole (Jaccard=0.20) l-tryptophan coronary_artery_disease GAP_HIGH 0.1212 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in coronary_artery_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) dapsone pharynx_cancer GAP_HIGH 0.1212 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in pharynx_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) zolpidem asthma GAP_LOW 0.1212 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs asthma targets. Cross-check zolpidem pharmacophore against asthma pathway. halazepam thyroid_cancer GAP_LOW 0.1212 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs thyroid_cancer targets. Cross-check halazepam pharmacophore against thyroid_cancer pathway. dopamine alopecia_areata GAP_LOW 0.1212 0.1 dexamethasone Low-priority: Computational docking dopamine vs alopecia_areata targets. Cross-check dopamine pharmacophore against alopecia_areata pathway. isradipine lung_cancer GAP_LOW 0.1212 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs lung_cancer targets. Cross-check isradipine pharmacophore against lung_cancer pathway. isradipine rectum_cancer GAP_LOW 0.1212 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs rectum_cancer targets. Cross-check isradipine pharmacophore against rectum_cancer pathway. l-carnitine meningioma GAP_LOW 0.1212 0.07692307692307693 topotecan Low-priority: Computational docking l-carnitine vs meningioma targets. Cross-check l-carnitine pharmacophore against meningioma pathway. sulpiride thymus_cancer GAP_LOW 0.1212 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs thymus_cancer targets. Cross-check sulpiride pharmacophore against thymus_cancer pathway. l-ornithine prostate_cancer GAP_LOW 0.1212 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs prostate_cancer targets. Cross-check l-ornithine pharmacophore against prostate_cancer pathway. aminocaproic_acid focal_segmental_glomerulosclerosis GAP_LOW 0.1212 0.06060606060606061 ethopropazine Low-priority: Computational docking aminocaproic_acid vs focal_segmental_glomerulosclerosis targets. Cross-check aminocaproic_acid pharmacophore against focal_segmental_glomerulosclerosis pathway. dasatinib dilated_cardiomyopathy GAP_LOW 0.1212 0.058823529411764705 trandolapril Low-priority: Computational docking dasatinib vs dilated_cardiomyopathy targets. Cross-check dasatinib pharmacophore against dilated_cardiomyopathy pathway. pomalidomide dilated_cardiomyopathy GAP_LOW 0.1212 0.058823529411764705 trandolapril Low-priority: Computational docking pomalidomide vs dilated_cardiomyopathy targets. Cross-check pomalidomide pharmacophore against dilated_cardiomyopathy pathway. vapreotide malaria GAP_LOW 0.1212 0.058823529411764705 sulfamethizole Low-priority: Computational docking vapreotide vs malaria targets. Cross-check vapreotide pharmacophore against malaria pathway. papaverine nephrolithiasis GAP_LOW 0.1212 0.05263157894736842 proparacaine Low-priority: Computational docking papaverine vs nephrolithiasis targets. Cross-check papaverine pharmacophore against nephrolithiasis pathway. solifenacin glaucoma GAP_LOW 0.1212 0.01639344262295082 l-serine Low-priority: Computational docking solifenacin vs glaucoma targets. Cross-check solifenacin pharmacophore against glaucoma pathway. lubiprostone parkinsons_disease GAP_LOW 0.1212 0.012048192771084338 l-glutamine Low-priority: Computational docking lubiprostone vs parkinsons_disease targets. Cross-check lubiprostone pharmacophore against parkinsons_disease pathway. acetylcysteine meningioma GAP_LOW 0.1212 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs meningioma targets. Cross-check acetylcysteine pharmacophore against meningioma pathway. penicillamine meningioma GAP_LOW 0.1212 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs meningioma targets. Cross-check penicillamine pharmacophore against meningioma pathway. toremifene celiac_disease GAP_HIGH 0.1211 0.39285714285714285 diphenhydramine High-priority: Binding assay toremifene→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.39) desipramine urinary_bladder_cancer GAP_HIGH 0.1211 0.3333333333333333 aprindine High-priority: Binding assay desipramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to aprindine (Jaccard=0.33) estradiol prostate_cancer GAP_HIGH 0.1211 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in prostate_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) dexamethasone larynx_cancer GAP_HIGH 0.1211 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.29) midazolam uterine_fibroid GAP_HIGH 0.1211 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in uterine_fibroid cell model. Expected: similar to clozapine (Jaccard=0.29) levorphanol pharynx_cancer GAP_HIGH 0.1211 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in pharynx_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) methamphetamine pharynx_cancer GAP_HIGH 0.1211 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) atropine hypertension GAP_HIGH 0.1211 0.25 nefazodone High-priority: Binding assay atropine→?; validate in hypertension cell model. Expected: similar to nefazodone (Jaccard=0.25) indecainide glaucoma GAP_HIGH 0.1211 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in glaucoma cell model. Expected: similar to penbutolol (Jaccard=0.25) phenindamine vaginal_cancer GAP_HIGH 0.1211 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in vaginal_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) phenindamine vulva_cancer GAP_HIGH 0.1211 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in vulva_cancer cell model. Expected: similar to mianserin (Jaccard=0.25) imipramine pancreatitis GAP_HIGH 0.1211 0.2222222222222222 nortriptyline High-priority: Binding assay imipramine→?; validate in pancreatitis cell model. Expected: similar to nortriptyline (Jaccard=0.22) phenmetrazine skin_cancer GAP_HIGH 0.1211 0.2 warfarin High-priority: Binding assay phenmetrazine→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) tripelennamine celiac_disease GAP_HIGH 0.1211 0.2 reboxetine High-priority: Binding assay tripelennamine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.20) agomelatine pharynx_cancer GAP_HIGH 0.1211 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in pharynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) zolpidem allergic_rhinitis GAP_LOW 0.1211 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs allergic_rhinitis targets. Cross-check zolpidem pharmacophore against allergic_rhinitis pathway. zolpidem atopic_dermatitis GAP_LOW 0.1211 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs atopic_dermatitis targets. Cross-check zolpidem pharmacophore against atopic_dermatitis pathway. zolpidem breast_cancer GAP_LOW 0.1211 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs breast_cancer targets. Cross-check zolpidem pharmacophore against breast_cancer pathway. mestranol alcohol_dependence GAP_LOW 0.1211 0.13636363636363635 levorphanol Low-priority: Computational docking mestranol vs alcohol_dependence targets. Cross-check mestranol pharmacophore against alcohol_dependence pathway. clotiazepam azoospermia GAP_LOW 0.1211 0.125 chlorpromazine Low-priority: Computational docking clotiazepam vs azoospermia targets. Cross-check clotiazepam pharmacophore against azoospermia pathway. agomelatine esophageal_cancer GAP_LOW 0.1211 0.11764705882352941 melphalan Low-priority: Computational docking agomelatine vs esophageal_cancer targets. Cross-check agomelatine pharmacophore against esophageal_cancer pathway. ergocalciferol larynx_cancer GAP_LOW 0.1211 0.1111111111111111 docetaxel Low-priority: Computational docking ergocalciferol vs larynx_cancer targets. Cross-check ergocalciferol pharmacophore against larynx_cancer pathway. phenylephrine lymphatic_system_cancer GAP_LOW 0.1211 0.1111111111111111 streptozocin Low-priority: Computational docking phenylephrine vs lymphatic_system_cancer targets. Cross-check phenylephrine pharmacophore against lymphatic_system_cancer pathway. l-aspartic_acid atopic_dermatitis GAP_LOW 0.1211 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs atopic_dermatitis targets. Cross-check l-aspartic_acid pharmacophore against atopic_dermatitis pathway. ketorolac leprosy GAP_LOW 0.1211 0.07692307692307693 sulfamethizole Low-priority: Computational docking ketorolac vs leprosy targets. Cross-check ketorolac pharmacophore against leprosy pathway. methohexital head_and_neck_cancer GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking methohexital vs head_and_neck_cancer targets. Cross-check methohexital pharmacophore against head_and_neck_cancer pathway. methohexital malignant_glioma GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking methohexital vs malignant_glioma targets. Cross-check methohexital pharmacophore against malignant_glioma pathway. phenobarbital head_and_neck_cancer GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs head_and_neck_cancer targets. Cross-check phenobarbital pharmacophore against head_and_neck_cancer pathway. phenobarbital malignant_glioma GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs malignant_glioma targets. Cross-check phenobarbital pharmacophore against malignant_glioma pathway. quazepam head_and_neck_cancer GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking quazepam vs head_and_neck_cancer targets. Cross-check quazepam pharmacophore against head_and_neck_cancer pathway. quazepam malignant_glioma GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking quazepam vs malignant_glioma targets. Cross-check quazepam pharmacophore against malignant_glioma pathway. tetracycline head_and_neck_cancer GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs head_and_neck_cancer targets. Cross-check tetracycline pharmacophore against head_and_neck_cancer pathway. tetracycline malignant_glioma GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs malignant_glioma targets. Cross-check tetracycline pharmacophore against malignant_glioma pathway. thiamylal head_and_neck_cancer GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs head_and_neck_cancer targets. Cross-check thiamylal pharmacophore against head_and_neck_cancer pathway. thiamylal malignant_glioma GAP_LOW 0.1211 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs malignant_glioma targets. Cross-check thiamylal pharmacophore against malignant_glioma pathway. modafinil duodenum_cancer GAP_HIGH 0.121 0.42857142857142855 diphenhydramine High-priority: Binding assay modafinil→?; validate in duodenum_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.43) modafinil gallbladder_cancer GAP_HIGH 0.121 0.42857142857142855 diphenhydramine High-priority: Binding assay modafinil→?; validate in gallbladder_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.43) norethindrone thyroid_cancer GAP_HIGH 0.121 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in thyroid_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) temazepam muscle_cancer GAP_HIGH 0.121 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in muscle_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) bepridil pharynx_cancer GAP_HIGH 0.121 0.3125 phenylbutazone High-priority: Binding assay bepridil→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) cyclizine vascular_cancer GAP_HIGH 0.121 0.3076923076923077 tamoxifen High-priority: Binding assay cyclizine→?; validate in vascular_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.31) bevantolol ocular_cancer GAP_HIGH 0.121 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in ocular_cancer cell model. Expected: similar to propranolol (Jaccard=0.29) indecainide thyroid_cancer GAP_HIGH 0.121 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) mitiglinide systemic_lupus_erythematosus GAP_HIGH 0.121 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to methylphenidate (Jaccard=0.29) aprindine mediastinal_cancer GAP_HIGH 0.121 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.26) glucosamine atopic_dermatitis GAP_HIGH 0.121 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.26) glucosamine hypertension GAP_HIGH 0.121 0.2608695652173913 clenbuterol High-priority: Binding assay glucosamine→?; validate in hypertension cell model. Expected: similar to clenbuterol (Jaccard=0.26) podofilox panic_disorder GAP_HIGH 0.121 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in panic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox schizophrenia GAP_HIGH 0.121 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in schizophrenia cell model. Expected: similar to amsacrine (Jaccard=0.25) ketorolac primary_biliary_cirrhosis GAP_HIGH 0.121 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.24) acenocoumarol urinary_bladder_cancer GAP_HIGH 0.121 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) ketorolac membranous_glomerulonephritis GAP_HIGH 0.121 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.22) flunarizine idiopathic_pulmonary_fibrosis GAP_HIGH 0.121 0.21428571428571427 ifenprodil High-priority: Binding assay flunarizine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.21) levomilnacipran vaginal_cancer GAP_HIGH 0.121 0.2 tamoxifen High-priority: Binding assay levomilnacipran→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) levomilnacipran vulva_cancer GAP_HIGH 0.121 0.2 tamoxifen High-priority: Binding assay levomilnacipran→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) nilotinib restless_legs_syndrome GAP_HIGH 0.121 0.18181818181818182 acetylsalicylic_acid High-priority: Binding assay nilotinib→?; validate in restless_legs_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.18) chlorphenesin esophageal_cancer GAP_HIGH 0.121 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in esophageal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) pralatrexate conduct_disorder GAP_HIGH 0.121 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) codeine uterine_cancer GAP_LOW 0.121 0.15 cyclizine Low-priority: Computational docking codeine vs uterine_cancer targets. Cross-check codeine pharmacophore against uterine_cancer pathway. ephedrine pharynx_cancer GAP_LOW 0.121 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs pharynx_cancer targets. Cross-check ephedrine pharmacophore against pharynx_cancer pathway. ergocalciferol meningioma GAP_LOW 0.121 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs meningioma targets. Cross-check ergocalciferol pharmacophore against meningioma pathway. gliclazide prostate_cancer GAP_LOW 0.121 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs prostate_cancer targets. Cross-check gliclazide pharmacophore against prostate_cancer pathway. l-citrulline sclerosing_cholangitis GAP_LOW 0.121 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs sclerosing_cholangitis targets. Cross-check l-citrulline pharmacophore against sclerosing_cholangitis pathway. midodrine creutzfeldt-jakob_disease GAP_LOW 0.121 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs creutzfeldt-jakob_disease targets. Cross-check midodrine pharmacophore against creutzfeldt-jakob_disease pathway. vapreotide lung_cancer GAP_LOW 0.121 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs lung_cancer targets. Cross-check vapreotide pharmacophore against lung_cancer pathway. vapreotide rectum_cancer GAP_LOW 0.121 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs rectum_cancer targets. Cross-check vapreotide pharmacophore against rectum_cancer pathway. vitamin_a larynx_cancer GAP_LOW 0.121 0.1 docetaxel Low-priority: Computational docking vitamin_a vs larynx_cancer targets. Cross-check vitamin_a pharmacophore against larynx_cancer pathway. travoprost conduct_disorder GAP_LOW 0.121 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs conduct_disorder targets. Cross-check travoprost pharmacophore against conduct_disorder pathway. travoprost panic_disorder GAP_LOW 0.121 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs panic_disorder targets. Cross-check travoprost pharmacophore against panic_disorder pathway. travoprost schizophrenia GAP_LOW 0.121 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs schizophrenia targets. Cross-check travoprost pharmacophore against schizophrenia pathway. isradipine liver_cancer GAP_LOW 0.121 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs liver_cancer targets. Cross-check isradipine pharmacophore against liver_cancer pathway. sulpiride uterine_cancer GAP_LOW 0.121 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs uterine_cancer targets. Cross-check sulpiride pharmacophore against uterine_cancer pathway. gliclazide lymphatic_system_cancer GAP_LOW 0.121 0.07142857142857142 aciclovir Low-priority: Computational docking gliclazide vs lymphatic_system_cancer targets. Cross-check gliclazide pharmacophore against lymphatic_system_cancer pathway. l-ornithine gout GAP_LOW 0.121 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs gout targets. Cross-check l-ornithine pharmacophore against gout pathway. l-ornithine mediastinal_cancer GAP_LOW 0.121 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs mediastinal_cancer targets. Cross-check l-ornithine pharmacophore against mediastinal_cancer pathway. l-ornithine primary_biliary_cirrhosis GAP_LOW 0.121 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs primary_biliary_cirrhosis targets. Cross-check l-ornithine pharmacophore against primary_biliary_cirrhosis pathway. candesartan melanoma GAP_LOW 0.121 0.05 droxidopa Low-priority: Computational docking candesartan vs melanoma targets. Cross-check candesartan pharmacophore against melanoma pathway. thiamylal kidney_cancer GAP_LOW 0.121 0.0 oxybuprocaine Low-priority: Computational docking thiamylal vs kidney_cancer targets. Cross-check thiamylal pharmacophore against kidney_cancer pathway. doxepin malignant_mesothelioma GAP_HIGH 0.1209 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.33) estradiol primary_biliary_cirrhosis GAP_HIGH 0.1209 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to progesterone (Jaccard=0.32) aprindine thymus_cancer GAP_HIGH 0.1209 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.26) podofilox asthma GAP_HIGH 0.1209 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in asthma cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox breast_cancer GAP_HIGH 0.1209 0.25 daunorubicin High-priority: Binding assay podofilox→?; validate in breast_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.25) podofilox conduct_disorder GAP_HIGH 0.1209 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in conduct_disorder cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox hypertension GAP_HIGH 0.1209 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in hypertension cell model. Expected: similar to amsacrine (Jaccard=0.25) dextroamphetamine membranous_glomerulonephritis GAP_HIGH 0.1209 0.23076923076923078 mitiglinide High-priority: Binding assay dextroamphetamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.23) flunarizine ocular_cancer GAP_HIGH 0.1209 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in ocular_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) flunarizine rectum_cancer GAP_HIGH 0.1209 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in rectum_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) testosterone penile_cancer GAP_HIGH 0.1209 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in penile_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) imatinib pancreatitis GAP_HIGH 0.1209 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in pancreatitis cell model. Expected: similar to sorafenib (Jaccard=0.21) selegiline prostate_cancer GAP_HIGH 0.1209 0.2 topotecan High-priority: Binding assay selegiline→?; validate in prostate_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) dapsone restless_legs_syndrome GAP_HIGH 0.1209 0.18181818181818182 methyclothiazide High-priority: Binding assay dapsone→?; validate in restless_legs_syndrome cell model. Expected: similar to methyclothiazide (Jaccard=0.18) dapsone thyroid_cancer GAP_HIGH 0.1209 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) dienestrol autistic_disorder GAP_HIGH 0.1209 0.16666666666666666 bifonazole High-priority: Binding assay dienestrol→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.17) dienestrol nicotine_dependence GAP_HIGH 0.1209 0.16666666666666666 clonidine High-priority: Binding assay dienestrol→?; validate in nicotine_dependence cell model. Expected: similar to clonidine (Jaccard=0.17) droperidol membranous_glomerulonephritis GAP_HIGH 0.1209 0.16666666666666666 perphenazine High-priority: Binding assay droperidol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to perphenazine (Jaccard=0.17) imipramine larynx_cancer GAP_HIGH 0.1209 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) stanozolol creutzfeldt-jakob_disease GAP_HIGH 0.1209 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) agomelatine thyroid_cancer GAP_HIGH 0.1209 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in thyroid_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) dapsone membranous_glomerulonephritis GAP_LOW 0.1209 0.14285714285714285 metolazone Low-priority: Computational docking dapsone vs membranous_glomerulonephritis targets. Cross-check dapsone pharmacophore against membranous_glomerulonephritis pathway. pomalidomide alopecia_areata GAP_LOW 0.1209 0.13333333333333333 dexamethasone Low-priority: Computational docking pomalidomide vs alopecia_areata targets. Cross-check pomalidomide pharmacophore against alopecia_areata pathway. dapsone gilles_de_la_tourette_syndrome GAP_LOW 0.1209 0.125 meclizine Low-priority: Computational docking dapsone vs gilles_de_la_tourette_syndrome targets. Cross-check dapsone pharmacophore against gilles_de_la_tourette_syndrome pathway. l-phenylalanine acquired_immunodeficiency_syndrome GAP_LOW 0.1209 0.125 nateglinide Low-priority: Computational docking l-phenylalanine vs acquired_immunodeficiency_syndrome targets. Cross-check l-phenylalanine pharmacophore against acquired_immunodeficiency_syndrome pathway. hydrochlorothiazide azoospermia GAP_LOW 0.1209 0.1111111111111111 ritodrine Low-priority: Computational docking hydrochlorothiazide vs azoospermia targets. Cross-check hydrochlorothiazide pharmacophore against azoospermia pathway. vapreotide liver_cancer GAP_LOW 0.1209 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs liver_cancer targets. Cross-check vapreotide pharmacophore against liver_cancer pathway. dasatinib lymphatic_system_cancer GAP_LOW 0.1209 0.1 glucosamine Low-priority: Computational docking dasatinib vs lymphatic_system_cancer targets. Cross-check dasatinib pharmacophore against lymphatic_system_cancer pathway. l-aspartic_acid ulcerative_colitis GAP_LOW 0.1209 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs ulcerative_colitis targets. Cross-check l-aspartic_acid pharmacophore against ulcerative_colitis pathway. midodrine glaucoma GAP_LOW 0.1209 0.08333333333333333 methacholine Low-priority: Computational docking midodrine vs glaucoma targets. Cross-check midodrine pharmacophore against glaucoma pathway. felypressin focal_segmental_glomerulosclerosis GAP_LOW 0.1209 0.07142857142857142 ergocalciferol Low-priority: Computational docking felypressin vs focal_segmental_glomerulosclerosis targets. Cross-check felypressin pharmacophore against focal_segmental_glomerulosclerosis pathway. terlipressin focal_segmental_glomerulosclerosis GAP_LOW 0.1209 0.07142857142857142 ergocalciferol Low-priority: Computational docking terlipressin vs focal_segmental_glomerulosclerosis targets. Cross-check terlipressin pharmacophore against focal_segmental_glomerulosclerosis pathway. l-ornithine thymus_cancer GAP_LOW 0.1209 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs thymus_cancer targets. Cross-check l-ornithine pharmacophore against thymus_cancer pathway. desmopressin dilated_cardiomyopathy GAP_LOW 0.1209 0.04 testosterone_propionate Low-priority: Computational docking desmopressin vs dilated_cardiomyopathy targets. Cross-check desmopressin pharmacophore against dilated_cardiomyopathy pathway. l-methionine lymphatic_system_cancer GAP_LOW 0.1209 0.03636363636363636 riboflavin Low-priority: Computational docking l-methionine vs lymphatic_system_cancer targets. Cross-check l-methionine pharmacophore against lymphatic_system_cancer pathway. aminophenazone refractive_error GAP_LOW 0.1209 0.0 pirbuterol Low-priority: Computational docking aminophenazone vs refractive_error targets. Cross-check aminophenazone pharmacophore against refractive_error pathway. irbesartan alopecia_areata GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking irbesartan vs alopecia_areata targets. Cross-check irbesartan pharmacophore against alopecia_areata pathway. l-dopa hypothyroidism GAP_LOW 0.1209 0.0 methimazole Low-priority: Computational docking l-dopa vs hypothyroidism targets. Cross-check l-dopa pharmacophore against hypothyroidism pathway. methdilazine hypothyroidism GAP_LOW 0.1209 0.0 methimazole Low-priority: Computational docking methdilazine vs hypothyroidism targets. Cross-check methdilazine pharmacophore against hypothyroidism pathway. methohexital nephrolithiasis GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking methohexital vs nephrolithiasis targets. Cross-check methohexital pharmacophore against nephrolithiasis pathway. perphenazine hypothyroidism GAP_LOW 0.1209 0.0 methimazole Low-priority: Computational docking perphenazine vs hypothyroidism targets. Cross-check perphenazine pharmacophore against hypothyroidism pathway. phenobarbital refractive_error GAP_LOW 0.1209 0.0 pirbuterol Low-priority: Computational docking phenobarbital vs refractive_error targets. Cross-check phenobarbital pharmacophore against refractive_error pathway. pipotiazine hypothyroidism GAP_LOW 0.1209 0.0 methimazole Low-priority: Computational docking pipotiazine vs hypothyroidism targets. Cross-check pipotiazine pharmacophore against hypothyroidism pathway. quazepam nephrolithiasis GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking quazepam vs nephrolithiasis targets. Cross-check quazepam pharmacophore against nephrolithiasis pathway. tetracycline nephrolithiasis GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs nephrolithiasis targets. Cross-check tetracycline pharmacophore against nephrolithiasis pathway. thiamylal nephrolithiasis GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs nephrolithiasis targets. Cross-check thiamylal pharmacophore against nephrolithiasis pathway. thiamylal refractive_error GAP_LOW 0.1209 0.0 pirbuterol Low-priority: Computational docking thiamylal vs refractive_error targets. Cross-check thiamylal pharmacophore against refractive_error pathway. valsartan alopecia_areata GAP_LOW 0.1209 0.0 hydrocortisone Low-priority: Computational docking valsartan vs alopecia_areata targets. Cross-check valsartan pharmacophore against alopecia_areata pathway. phensuximide melanoma GAP_HIGH 0.1208 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.31) midazolam polycystic_ovary_syndrome GAP_HIGH 0.1208 0.2857142857142857 clozapine High-priority: Binding assay midazolam→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to clozapine (Jaccard=0.29) prednisolone sclerosing_cholangitis GAP_HIGH 0.1208 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in sclerosing_cholangitis cell model. Expected: similar to amcinonide (Jaccard=0.29) glucosamine psoriasis GAP_HIGH 0.1208 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.26) atropine uterine_cancer GAP_HIGH 0.1208 0.25 alclometasone High-priority: Binding assay atropine→?; validate in uterine_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) phenprocoumon esophageal_cancer GAP_HIGH 0.1208 0.25 tamoxifen High-priority: Binding assay phenprocoumon→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) podofilox allergic_rhinitis GAP_HIGH 0.1208 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in allergic_rhinitis cell model. Expected: similar to amsacrine (Jaccard=0.25) podofilox bipolar_disorder GAP_HIGH 0.1208 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in bipolar_disorder cell model. Expected: similar to amsacrine (Jaccard=0.25) flunarizine stomach_cancer GAP_HIGH 0.1208 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) flunarizine liver_cancer GAP_HIGH 0.1208 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in liver_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) diethylpropion thyroid_cancer GAP_HIGH 0.1208 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in thyroid_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) afatinib kidney_cancer GAP_HIGH 0.1208 0.21428571428571427 docetaxel High-priority: Binding assay afatinib→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.21) dasatinib alzheimers_disease GAP_HIGH 0.1208 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) dasatinib parkinsons_disease GAP_HIGH 0.1208 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) pomalidomide penile_cancer GAP_HIGH 0.1208 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in penile_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) pralatrexate bipolar_disorder GAP_HIGH 0.1208 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) pralatrexate endogenous_depression GAP_HIGH 0.1208 0.16666666666666666 l-arginine High-priority: Binding assay pralatrexate→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.17) phenylephrine malignant_mesothelioma GAP_HIGH 0.1208 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.16) etidronic_acid narcolepsy GAP_LOW 0.1208 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs narcolepsy targets. Cross-check etidronic_acid pharmacophore against narcolepsy pathway. zolpidem uterine_cancer GAP_LOW 0.1208 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs uterine_cancer targets. Cross-check zolpidem pharmacophore against uterine_cancer pathway. gliclazide mediastinal_cancer GAP_LOW 0.1208 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs mediastinal_cancer targets. Cross-check gliclazide pharmacophore against mediastinal_cancer pathway. halazepam salivary_gland_cancer GAP_LOW 0.1208 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs salivary_gland_cancer targets. Cross-check halazepam pharmacophore against salivary_gland_cancer pathway. l-aspartic_acid multiple_sclerosis GAP_LOW 0.1208 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs multiple_sclerosis targets. Cross-check l-aspartic_acid pharmacophore against multiple_sclerosis pathway. l-aspartic_acid psoriasis GAP_LOW 0.1208 0.09090909090909091 phenylpropanolamine Low-priority: Computational docking l-aspartic_acid vs psoriasis targets. Cross-check l-aspartic_acid pharmacophore against psoriasis pathway. travoprost bipolar_disorder GAP_LOW 0.1208 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs bipolar_disorder targets. Cross-check travoprost pharmacophore against bipolar_disorder pathway. travoprost endogenous_depression GAP_LOW 0.1208 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs endogenous_depression targets. Cross-check travoprost pharmacophore against endogenous_depression pathway. l-asparagine metabolic_syndrome_x GAP_LOW 0.1208 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs metabolic_syndrome_x targets. Cross-check l-asparagine pharmacophore against metabolic_syndrome_x pathway. dyphylline acquired_immunodeficiency_syndrome GAP_LOW 0.1208 0.041666666666666664 clofarabine Low-priority: Computational docking dyphylline vs acquired_immunodeficiency_syndrome targets. Cross-check dyphylline pharmacophore against acquired_immunodeficiency_syndrome pathway. clobazam pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking clobazam vs pagets_disease_of_bone targets. Cross-check clobazam pharmacophore against pagets_disease_of_bone pathway. ethynodiol pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking ethynodiol vs pagets_disease_of_bone targets. Cross-check ethynodiol pharmacophore against pagets_disease_of_bone pathway. fulvestrant pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking fulvestrant vs pagets_disease_of_bone targets. Cross-check fulvestrant pharmacophore against pagets_disease_of_bone pathway. mestranol pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking mestranol vs pagets_disease_of_bone targets. Cross-check mestranol pharmacophore against pagets_disease_of_bone pathway. propafenone pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking propafenone vs pagets_disease_of_bone targets. Cross-check propafenone pharmacophore against pagets_disease_of_bone pathway. suprofen pagets_disease_of_bone GAP_LOW 0.1208 0.0 ibandronate Low-priority: Computational docking suprofen vs pagets_disease_of_bone targets. Cross-check suprofen pharmacophore against pagets_disease_of_bone pathway. thiamylal celiac_disease GAP_LOW 0.1208 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs celiac_disease targets. Cross-check thiamylal pharmacophore against celiac_disease pathway. exemestane metabolic_syndrome_x GAP_HIGH 0.1207 0.3333333333333333 testolactone High-priority: Binding assay exemestane→?; validate in metabolic_syndrome_x cell model. Expected: similar to testolactone (Jaccard=0.33) reboxetine gout GAP_HIGH 0.1207 0.3333333333333333 doxepin High-priority: Binding assay reboxetine→?; validate in gout cell model. Expected: similar to doxepin (Jaccard=0.33) reboxetine primary_biliary_cirrhosis GAP_HIGH 0.1207 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.33) bevantolol peripheral_nervous_system_neoplasm GAP_HIGH 0.1207 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to propranolol (Jaccard=0.29) benzphetamine penile_cancer GAP_HIGH 0.1207 0.28 diphenylpyraline High-priority: Binding assay benzphetamine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) atomoxetine atherosclerosis GAP_HIGH 0.1207 0.26666666666666666 warfarin High-priority: Binding assay atomoxetine→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.27) podofilox endogenous_depression GAP_HIGH 0.1207 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in endogenous_depression cell model. Expected: similar to amsacrine (Jaccard=0.25) tolmetin asthma GAP_HIGH 0.1207 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in asthma cell model. Expected: similar to bezafibrate (Jaccard=0.24) sulfapyridine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1207 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) flunarizine pancreatic_cancer GAP_HIGH 0.1207 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) methotrexate acquired_immunodeficiency_syndrome GAP_HIGH 0.1207 0.2 floxuridine High-priority: Binding assay methotrexate→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to floxuridine (Jaccard=0.20) selegiline mediastinal_cancer GAP_HIGH 0.1207 0.2 topotecan High-priority: Binding assay selegiline→?; validate in mediastinal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) chlorthalidone thyroid_cancer GAP_HIGH 0.1207 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.18) dasatinib autistic_disorder GAP_HIGH 0.1207 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in autistic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) arformoterol creutzfeldt-jakob_disease GAP_LOW 0.1207 0.14285714285714285 l-dopa Low-priority: Computational docking arformoterol vs creutzfeldt-jakob_disease targets. Cross-check arformoterol pharmacophore against creutzfeldt-jakob_disease pathway. chloroprocaine dilated_cardiomyopathy GAP_LOW 0.1207 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs dilated_cardiomyopathy targets. Cross-check chloroprocaine pharmacophore against dilated_cardiomyopathy pathway. gliclazide thymus_cancer GAP_LOW 0.1207 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs thymus_cancer targets. Cross-check gliclazide pharmacophore against thymus_cancer pathway. chlorpropamide refractive_error GAP_LOW 0.1207 0.125 chlorphenesin Low-priority: Computational docking chlorpropamide vs refractive_error targets. Cross-check chlorpropamide pharmacophore against refractive_error pathway. vitamin_a penile_cancer GAP_LOW 0.1207 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs penile_cancer targets. Cross-check vitamin_a pharmacophore against penile_cancer pathway. agomelatine focal_segmental_glomerulosclerosis GAP_LOW 0.1207 0.11764705882352941 mefenamic_acid Low-priority: Computational docking agomelatine vs focal_segmental_glomerulosclerosis targets. Cross-check agomelatine pharmacophore against focal_segmental_glomerulosclerosis pathway. halazepam muscle_cancer GAP_LOW 0.1207 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs muscle_cancer targets. Cross-check halazepam pharmacophore against muscle_cancer pathway. zolpidem head_and_neck_cancer GAP_LOW 0.1207 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs head_and_neck_cancer targets. Cross-check zolpidem pharmacophore against head_and_neck_cancer pathway. zolpidem malignant_glioma GAP_LOW 0.1207 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs malignant_glioma targets. Cross-check zolpidem pharmacophore against malignant_glioma pathway. vapreotide peripheral_nervous_system_neoplasm GAP_LOW 0.1207 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs peripheral_nervous_system_neoplasm targets. Cross-check vapreotide pharmacophore against peripheral_nervous_system_neoplasm pathway. vorinostat hematologic_cancer GAP_LOW 0.1207 0.10526315789473684 progesterone Low-priority: Computational docking vorinostat vs hematologic_cancer targets. Cross-check vorinostat pharmacophore against hematologic_cancer pathway. melatonin alopecia_areata GAP_LOW 0.1207 0.1 dexamethasone Low-priority: Computational docking melatonin vs alopecia_areata targets. Cross-check melatonin pharmacophore against alopecia_areata pathway. aminocaproic_acid melanoma GAP_LOW 0.1207 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs melanoma targets. Cross-check aminocaproic_acid pharmacophore against melanoma pathway. cinchocaine acquired_immunodeficiency_syndrome GAP_LOW 0.1207 0.08333333333333333 mitiglinide Low-priority: Computational docking cinchocaine vs acquired_immunodeficiency_syndrome targets. Cross-check cinchocaine pharmacophore against acquired_immunodeficiency_syndrome pathway. desogestrel alcohol_dependence GAP_LOW 0.1207 0.07692307692307693 naloxone Low-priority: Computational docking desogestrel vs alcohol_dependence targets. Cross-check desogestrel pharmacophore against alcohol_dependence pathway. vapreotide glaucoma GAP_LOW 0.1207 0.07692307692307693 methacholine Low-priority: Computational docking vapreotide vs glaucoma targets. Cross-check vapreotide pharmacophore against glaucoma pathway. metolazone alcohol_dependence GAP_LOW 0.1207 0.05263157894736842 mazindol Low-priority: Computational docking metolazone vs alcohol_dependence targets. Cross-check metolazone pharmacophore against alcohol_dependence pathway. thiamylal chronic_kidney_failure GAP_LOW 0.1207 0.0 cinolazepam Low-priority: Computational docking thiamylal vs chronic_kidney_failure targets. Cross-check thiamylal pharmacophore against chronic_kidney_failure pathway. oxcarbazepine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1206 0.2727272727272727 ephedrine High-priority: Binding assay oxcarbazepine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.27) aceprometazine thyroid_cancer GAP_HIGH 0.1206 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) chlordiazepoxide atherosclerosis GAP_HIGH 0.1206 0.25 flurbiprofen High-priority: Binding assay chlordiazepoxide→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.25) phenindamine uterine_fibroid GAP_HIGH 0.1206 0.25 mianserin High-priority: Binding assay phenindamine→?; validate in uterine_fibroid cell model. Expected: similar to mianserin (Jaccard=0.25) podofilox migraine GAP_HIGH 0.1206 0.25 acetazolamide High-priority: Binding assay podofilox→?; validate in migraine cell model. Expected: similar to acetazolamide (Jaccard=0.25) podofilox multiple_sclerosis GAP_HIGH 0.1206 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in multiple_sclerosis cell model. Expected: similar to amsacrine (Jaccard=0.25) testosterone breast_cancer GAP_HIGH 0.1206 0.25 nandrolone_phenpropionate High-priority: Binding assay testosterone→?; validate in breast_cancer cell model. Expected: similar to nandrolone_phenpropionate (Jaccard=0.25) bepridil malaria GAP_HIGH 0.1206 0.24 modafinil High-priority: Binding assay bepridil→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.24) tolmetin allergic_rhinitis GAP_HIGH 0.1206 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in allergic_rhinitis cell model. Expected: similar to bezafibrate (Jaccard=0.24) tolmetin atopic_dermatitis GAP_HIGH 0.1206 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in atopic_dermatitis cell model. Expected: similar to bezafibrate (Jaccard=0.24) flunarizine osteoporosis GAP_HIGH 0.1206 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.23) flunarizine peripheral_nervous_system_neoplasm GAP_HIGH 0.1206 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to meclizine (Jaccard=0.23) terbutaline autistic_disorder GAP_HIGH 0.1206 0.21428571428571427 l-dopa High-priority: Binding assay terbutaline→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.21) terbutaline nicotine_dependence GAP_HIGH 0.1206 0.21428571428571427 l-dopa High-priority: Binding assay terbutaline→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.21) imatinib lung_cancer GAP_HIGH 0.1206 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in lung_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) imatinib rectum_cancer GAP_HIGH 0.1206 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in rectum_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) l-phenylalanine duodenum_cancer GAP_HIGH 0.1206 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) l-phenylalanine gallbladder_cancer GAP_HIGH 0.1206 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) l-phenylalanine melanoma GAP_HIGH 0.1206 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in melanoma cell model. Expected: similar to cyclopentolate (Jaccard=0.20) selegiline thymus_cancer GAP_HIGH 0.1206 0.2 topotecan High-priority: Binding assay selegiline→?; validate in thymus_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) mepenzolate meningioma GAP_HIGH 0.1206 0.1875 phenylbutazone High-priority: Binding assay mepenzolate→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.19) phenformin celiac_disease GAP_HIGH 0.1206 0.18181818181818182 phenacemide High-priority: Binding assay phenformin→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.18) doxylamine meningioma GAP_HIGH 0.1206 0.17647058823529413 phenylbutazone High-priority: Binding assay doxylamine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.18) flurazepam gout GAP_HIGH 0.1206 0.17647058823529413 diazepam High-priority: Binding assay flurazepam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.18) deferasirox melanoma GAP_HIGH 0.1206 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in melanoma cell model. Expected: similar to vismodegib (Jaccard=0.17) pomalidomide malignant_mesothelioma GAP_HIGH 0.1206 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in malignant_mesothelioma cell model. Expected: similar to doxorubicin (Jaccard=0.17) loteprednol alcohol_dependence GAP_HIGH 0.1206 0.15384615384615385 levorphanol High-priority: Binding assay loteprednol→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.15) agomelatine prostate_cancer GAP_LOW 0.1206 0.14285714285714285 flurandrenolide Low-priority: Computational docking agomelatine vs prostate_cancer targets. Cross-check agomelatine pharmacophore against prostate_cancer pathway. tretinoin head_and_neck_cancer GAP_LOW 0.1206 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs head_and_neck_cancer targets. Cross-check tretinoin pharmacophore against head_and_neck_cancer pathway. tretinoin malignant_glioma GAP_LOW 0.1206 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs malignant_glioma targets. Cross-check tretinoin pharmacophore against malignant_glioma pathway. adinazolam atherosclerosis GAP_LOW 0.1206 0.1 flurbiprofen Low-priority: Computational docking adinazolam vs atherosclerosis targets. Cross-check adinazolam pharmacophore against atherosclerosis pathway. travoprost migraine GAP_LOW 0.1206 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs migraine targets. Cross-check travoprost pharmacophore against migraine pathway. tropicamide type_1_diabetes_mellitus GAP_LOW 0.1206 0.09090909090909091 fludrocortisone Low-priority: Computational docking tropicamide vs type_1_diabetes_mellitus targets. Cross-check tropicamide pharmacophore against type_1_diabetes_mellitus pathway. latanoprost alopecia_areata GAP_LOW 0.1206 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking latanoprost vs alopecia_areata targets. Cross-check latanoprost pharmacophore against alopecia_areata pathway. tofisopam primary_biliary_cirrhosis GAP_LOW 0.1206 0.07142857142857142 raloxifene Low-priority: Computational docking tofisopam vs primary_biliary_cirrhosis targets. Cross-check tofisopam pharmacophore against primary_biliary_cirrhosis pathway. candesartan pancreatic_cancer GAP_LOW 0.1206 0.058823529411764705 l-dopa Low-priority: Computational docking candesartan vs pancreatic_cancer targets. Cross-check candesartan pharmacophore against pancreatic_cancer pathway. l-carnitine gilles_de_la_tourette_syndrome GAP_LOW 0.1206 0.05263157894736842 moricizine Low-priority: Computational docking l-carnitine vs gilles_de_la_tourette_syndrome targets. Cross-check l-carnitine pharmacophore against gilles_de_la_tourette_syndrome pathway. candesartan sclerosing_cholangitis GAP_LOW 0.1206 0.05 droxidopa Low-priority: Computational docking candesartan vs sclerosing_cholangitis targets. Cross-check candesartan pharmacophore against sclerosing_cholangitis pathway. mazindol pagets_disease_of_bone GAP_LOW 0.1206 0.02564102564102564 clodronate Low-priority: Computational docking mazindol vs pagets_disease_of_bone targets. Cross-check mazindol pharmacophore against pagets_disease_of_bone pathway. tofisopam lymphatic_system_cancer GAP_LOW 0.1206 0.016666666666666666 s-adenosylmethionine Low-priority: Computational docking tofisopam vs lymphatic_system_cancer targets. Cross-check tofisopam pharmacophore against lymphatic_system_cancer pathway. acetic_acid dilated_cardiomyopathy GAP_LOW 0.1206 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs dilated_cardiomyopathy targets. Cross-check acetic_acid pharmacophore against dilated_cardiomyopathy pathway. benzthiazide dilated_cardiomyopathy GAP_LOW 0.1206 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs dilated_cardiomyopathy targets. Cross-check benzthiazide pharmacophore against dilated_cardiomyopathy pathway. diphenhydramine hypothyroidism GAP_LOW 0.1206 0.0 methimazole Low-priority: Computational docking diphenhydramine vs hypothyroidism targets. Cross-check diphenhydramine pharmacophore against hypothyroidism pathway. methocarbamol dilated_cardiomyopathy GAP_LOW 0.1206 0.0 hydrocortisone Low-priority: Computational docking methocarbamol vs dilated_cardiomyopathy targets. Cross-check methocarbamol pharmacophore against dilated_cardiomyopathy pathway. pheniramine hypothyroidism GAP_LOW 0.1206 0.0 methimazole Low-priority: Computational docking pheniramine vs hypothyroidism targets. Cross-check pheniramine pharmacophore against hypothyroidism pathway. propericiazine hypothyroidism GAP_LOW 0.1206 0.0 methimazole Low-priority: Computational docking propericiazine vs hypothyroidism targets. Cross-check propericiazine pharmacophore against hypothyroidism pathway. zuclopenthixol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1205 0.35294117647058826 azatadine High-priority: Binding assay zuclopenthixol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.35) flurbiprofen crohns_disease GAP_HIGH 0.1205 0.3333333333333333 methdilazine High-priority: Binding assay flurbiprofen→?; validate in crohns_disease cell model. Expected: similar to methdilazine (Jaccard=0.33) temazepam urinary_bladder_cancer GAP_HIGH 0.1205 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) indecainide muscle_cancer GAP_HIGH 0.1205 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) levorphanol salivary_gland_cancer GAP_HIGH 0.1205 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in salivary_gland_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) atomoxetine malaria GAP_HIGH 0.1205 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.27) methamphetamine salivary_gland_cancer GAP_HIGH 0.1205 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) lapatinib restless_legs_syndrome GAP_HIGH 0.1205 0.23529411764705882 acetylsalicylic_acid High-priority: Binding assay lapatinib→?; validate in restless_legs_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.24) flunarizine sarcoma GAP_HIGH 0.1205 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.23) terbutaline urinary_bladder_cancer GAP_HIGH 0.1205 0.21428571428571427 l-dopa High-priority: Binding assay terbutaline→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.21) teniposide kidney_cancer GAP_HIGH 0.1205 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in kidney_cancer cell model. Expected: similar to epirubicin (Jaccard=0.20) topotecan glaucoma GAP_HIGH 0.1205 0.2 metaraminol High-priority: Binding assay topotecan→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) dasatinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1205 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) deferasirox duodenum_cancer GAP_HIGH 0.1205 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in duodenum_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) deferasirox gallbladder_cancer GAP_HIGH 0.1205 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in gallbladder_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) agomelatine salivary_gland_cancer GAP_HIGH 0.1205 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in salivary_gland_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) procaine dilated_cardiomyopathy GAP_HIGH 0.1205 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in dilated_cardiomyopathy cell model. Expected: similar to drospirenone (Jaccard=0.15) alfacalcidol primary_biliary_cirrhosis GAP_LOW 0.1205 0.14285714285714285 tauroursodeoxycholic_acid Low-priority: Computational docking alfacalcidol vs primary_biliary_cirrhosis targets. Cross-check alfacalcidol pharmacophore against primary_biliary_cirrhosis pathway. halazepam ocular_cancer GAP_LOW 0.1205 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs ocular_cancer targets. Cross-check halazepam pharmacophore against ocular_cancer pathway. atropine leprosy GAP_LOW 0.1205 0.1111111111111111 phenmetrazine Low-priority: Computational docking atropine vs leprosy targets. Cross-check atropine pharmacophore against leprosy pathway. zolpidem refractive_error GAP_LOW 0.1205 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs refractive_error targets. Cross-check zolpidem pharmacophore against refractive_error pathway. ceruletide meningioma GAP_LOW 0.1205 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs meningioma targets. Cross-check ceruletide pharmacophore against meningioma pathway. moexipril chronic_kidney_failure GAP_LOW 0.1205 0.1 trimipramine Low-priority: Computational docking moexipril vs chronic_kidney_failure targets. Cross-check moexipril pharmacophore against chronic_kidney_failure pathway. quinestrol parkinsons_disease GAP_LOW 0.1205 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs parkinsons_disease targets. Cross-check quinestrol pharmacophore against parkinsons_disease pathway. ponatinib malaria GAP_LOW 0.1205 0.09375 sulfamethizole Low-priority: Computational docking ponatinib vs malaria targets. Cross-check ponatinib pharmacophore against malaria pathway. aminocaproic_acid thyroid_cancer GAP_LOW 0.1205 0.09090909090909091 vorinostat Low-priority: Computational docking aminocaproic_acid vs thyroid_cancer targets. Cross-check aminocaproic_acid pharmacophore against thyroid_cancer pathway. calcitriol atherosclerosis GAP_LOW 0.1205 0.09090909090909091 salicylate-sodium Low-priority: Computational docking calcitriol vs atherosclerosis targets. Cross-check calcitriol pharmacophore against atherosclerosis pathway. tolbutamide larynx_cancer GAP_LOW 0.1205 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs larynx_cancer targets. Cross-check tolbutamide pharmacophore against larynx_cancer pathway. candesartan ulcerative_colitis GAP_LOW 0.1205 0.058823529411764705 phenylpropanolamine Low-priority: Computational docking candesartan vs ulcerative_colitis targets. Cross-check candesartan pharmacophore against ulcerative_colitis pathway. l-aspartic_acid intracranial_aneurysm GAP_LOW 0.1205 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs intracranial_aneurysm targets. Cross-check l-aspartic_acid pharmacophore against intracranial_aneurysm pathway. aminocaproic_acid hepatitis_b GAP_LOW 0.1205 0.045454545454545456 aciclovir Low-priority: Computational docking aminocaproic_acid vs hepatitis_b targets. Cross-check aminocaproic_acid pharmacophore against hepatitis_b pathway. dihomo-gamma-linolenic_acid autistic_disorder GAP_LOW 0.1205 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs autistic_disorder targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against autistic_disorder pathway. dihomo-gamma-linolenic_acid nicotine_dependence GAP_LOW 0.1205 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs nicotine_dependence targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against nicotine_dependence pathway. cytarabine leprosy GAP_LOW 0.1205 0.0 sulfapyridine Low-priority: Computational docking cytarabine vs leprosy targets. Cross-check cytarabine pharmacophore against leprosy pathway. penicillamine prostate_cancer GAP_LOW 0.1205 0.0 phenylbutazone Low-priority: Computational docking penicillamine vs prostate_cancer targets. Cross-check penicillamine pharmacophore against prostate_cancer pathway. vorinostat leprosy GAP_LOW 0.1205 0.0 sulfapyridine Low-priority: Computational docking vorinostat vs leprosy targets. Cross-check vorinostat pharmacophore against leprosy pathway. trimipramine uterine_cancer GAP_HIGH 0.1204 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in uterine_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) bepridil salivary_gland_cancer GAP_HIGH 0.1204 0.3125 phenylbutazone High-priority: Binding assay bepridil→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) pargyline sarcoma GAP_HIGH 0.1204 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.29) pargyline uterine_cancer GAP_HIGH 0.1204 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) indecainide lung_cancer GAP_HIGH 0.1204 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in lung_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) glucosamine metabolic_syndrome_x GAP_HIGH 0.1204 0.2608695652173913 clenbuterol High-priority: Binding assay glucosamine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clenbuterol (Jaccard=0.26) atropine metabolic_syndrome_x GAP_HIGH 0.1204 0.25 clofibrate High-priority: Binding assay atropine→?; validate in metabolic_syndrome_x cell model. Expected: similar to clofibrate (Jaccard=0.25) bevantolol gilles_de_la_tourette_syndrome GAP_HIGH 0.1204 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to clotrimazole (Jaccard=0.24) testosterone hematologic_cancer GAP_HIGH 0.1204 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in hematologic_cancer cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) teniposide nephrolithiasis GAP_HIGH 0.1204 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in nephrolithiasis cell model. Expected: similar to epirubicin (Jaccard=0.20) propafenone acquired_immunodeficiency_syndrome GAP_HIGH 0.1204 0.1875 alvimopan High-priority: Binding assay propafenone→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.19) mepyramine germ_cell_cancer GAP_HIGH 0.1204 0.18181818181818182 tamoxifen High-priority: Binding assay mepyramine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) tamsulosin rectum_cancer GAP_HIGH 0.1204 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) dapsone muscle_cancer GAP_HIGH 0.1204 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in muscle_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) isocarboxazid germ_cell_cancer GAP_HIGH 0.1204 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in germ_cell_cancer cell model. Expected: similar to melphalan (Jaccard=0.17) probenecid hepatitis_b GAP_HIGH 0.1204 0.16666666666666666 mitiglinide High-priority: Binding assay probenecid→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.17) quinethazone alzheimers_disease GAP_HIGH 0.1204 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in alzheimers_disease cell model. Expected: similar to nateglinide (Jaccard=0.17) agomelatine muscle_cancer GAP_HIGH 0.1204 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in muscle_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) codeine vaginal_cancer GAP_LOW 0.1204 0.15 cyclizine Low-priority: Computational docking codeine vs vaginal_cancer targets. Cross-check codeine pharmacophore against vaginal_cancer pathway. codeine vulva_cancer GAP_LOW 0.1204 0.15 cyclizine Low-priority: Computational docking codeine vs vulva_cancer targets. Cross-check codeine pharmacophore against vulva_cancer pathway. ephedrine salivary_gland_cancer GAP_LOW 0.1204 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs salivary_gland_cancer targets. Cross-check ephedrine pharmacophore against salivary_gland_cancer pathway. tretinoin nephrolithiasis GAP_LOW 0.1204 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs nephrolithiasis targets. Cross-check tretinoin pharmacophore against nephrolithiasis pathway. vitamin_a malignant_mesothelioma GAP_LOW 0.1204 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs malignant_mesothelioma targets. Cross-check vitamin_a pharmacophore against malignant_mesothelioma pathway. choline coronary_artery_disease GAP_LOW 0.1204 0.10526315789473684 progesterone Low-priority: Computational docking choline vs coronary_artery_disease targets. Cross-check choline pharmacophore against coronary_artery_disease pathway. quinestrol amyotrophic_lateral_sclerosis GAP_LOW 0.1204 0.09523809523809523 toremifene Low-priority: Computational docking quinestrol vs amyotrophic_lateral_sclerosis targets. Cross-check quinestrol pharmacophore against amyotrophic_lateral_sclerosis pathway. halazepam refractive_error GAP_LOW 0.1204 0.09090909090909091 practolol Low-priority: Computational docking halazepam vs refractive_error targets. Cross-check halazepam pharmacophore against refractive_error pathway. l-asparagine obesity GAP_LOW 0.1204 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs obesity targets. Cross-check l-asparagine pharmacophore against obesity pathway. sulpiride testicular_cancer GAP_LOW 0.1204 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs testicular_cancer targets. Cross-check sulpiride pharmacophore against testicular_cancer pathway. sulpiride vaginal_cancer GAP_LOW 0.1204 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs vaginal_cancer targets. Cross-check sulpiride pharmacophore against vaginal_cancer pathway. sulpiride vulva_cancer GAP_LOW 0.1204 0.08333333333333333 aspartame Low-priority: Computational docking sulpiride vs vulva_cancer targets. Cross-check sulpiride pharmacophore against vulva_cancer pathway. lisinopril leprosy GAP_LOW 0.1204 0.07692307692307693 sulfapyridine Low-priority: Computational docking lisinopril vs leprosy targets. Cross-check lisinopril pharmacophore against leprosy pathway. esmolol brain_cancer GAP_LOW 0.1204 0.0625 estradiol_valeratedienogest Low-priority: Computational docking esmolol vs brain_cancer targets. Cross-check esmolol pharmacophore against brain_cancer pathway. tauroursodeoxycholic_acid mediastinal_cancer GAP_LOW 0.1204 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs mediastinal_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against mediastinal_cancer pathway. dihomo-gamma-linolenic_acid epilepsy_syndrome GAP_LOW 0.1204 0.011494252873563218 l-glutamine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs epilepsy_syndrome targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against epilepsy_syndrome pathway. exemestane obesity GAP_HIGH 0.1203 0.3333333333333333 testolactone High-priority: Binding assay exemestane→?; validate in obesity cell model. Expected: similar to testolactone (Jaccard=0.33) droxidopa esophageal_cancer GAP_HIGH 0.1203 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) bepridil membranous_glomerulonephritis GAP_HIGH 0.1203 0.2857142857142857 propiomazine High-priority: Binding assay bepridil→?; validate in membranous_glomerulonephritis cell model. Expected: similar to propiomazine (Jaccard=0.29) atropine skin_cancer GAP_HIGH 0.1203 0.25 alclometasone High-priority: Binding assay atropine→?; validate in skin_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) glucosamine pancreatitis GAP_HIGH 0.1203 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.25) diclofenac crohns_disease GAP_HIGH 0.1203 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in crohns_disease cell model. Expected: similar to oxaprozin (Jaccard=0.24) flunarizine systemic_lupus_erythematosus GAP_HIGH 0.1203 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.23) l-tryptophan duodenum_cancer GAP_HIGH 0.1203 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in duodenum_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) l-tryptophan gallbladder_cancer GAP_HIGH 0.1203 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in gallbladder_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) l-tryptophan melanoma GAP_HIGH 0.1203 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in melanoma cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) cortisone_acetate alcohol_dependence GAP_HIGH 0.1203 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) dienestrol conduct_disorder GAP_HIGH 0.1203 0.16666666666666666 clonidine High-priority: Binding assay dienestrol→?; validate in conduct_disorder cell model. Expected: similar to clonidine (Jaccard=0.17) ospemifene germ_cell_cancer GAP_HIGH 0.1203 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in germ_cell_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) quinethazone nicotine_dependence GAP_HIGH 0.1203 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in nicotine_dependence cell model. Expected: similar to nateglinide (Jaccard=0.17) teniposide lymphatic_system_cancer GAP_HIGH 0.1203 0.16666666666666666 vindesine High-priority: Binding assay teniposide→?; validate in lymphatic_system_cancer cell model. Expected: similar to vindesine (Jaccard=0.17) zolpidem vaginal_cancer GAP_LOW 0.1203 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs vaginal_cancer targets. Cross-check zolpidem pharmacophore against vaginal_cancer pathway. zolpidem vulva_cancer GAP_LOW 0.1203 0.14285714285714285 ergocalciferol Low-priority: Computational docking zolpidem vs vulva_cancer targets. Cross-check zolpidem pharmacophore against vulva_cancer pathway. quinacrine pharynx_cancer GAP_LOW 0.1203 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs pharynx_cancer targets. Cross-check quinacrine pharmacophore against pharynx_cancer pathway. isradipine stomach_cancer GAP_LOW 0.1203 0.08333333333333333 moricizine Low-priority: Computational docking isradipine vs stomach_cancer targets. Cross-check isradipine pharmacophore against stomach_cancer pathway. atenolol dilated_cardiomyopathy GAP_LOW 0.1203 0.06666666666666667 trandolapril Low-priority: Computational docking atenolol vs dilated_cardiomyopathy targets. Cross-check atenolol pharmacophore against dilated_cardiomyopathy pathway. tafluprost azoospermia GAP_LOW 0.1203 0.05 fenoprofen Low-priority: Computational docking tafluprost vs azoospermia targets. Cross-check tafluprost pharmacophore against azoospermia pathway. tauroursodeoxycholic_acid thymus_cancer GAP_LOW 0.1203 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs thymus_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against thymus_cancer pathway. labetalol glaucoma GAP_LOW 0.1203 0.01639344262295082 l-serine Low-priority: Computational docking labetalol vs glaucoma targets. Cross-check labetalol pharmacophore against glaucoma pathway. methocarbamol acquired_immunodeficiency_syndrome GAP_LOW 0.1203 0.014925373134328358 adenosine_monophosphate Low-priority: Computational docking methocarbamol vs acquired_immunodeficiency_syndrome targets. Cross-check methocarbamol pharmacophore against acquired_immunodeficiency_syndrome pathway. l-glutamine leprosy GAP_LOW 0.1203 0.008695652173913044 phensuximide Low-priority: Computational docking l-glutamine vs leprosy targets. Cross-check l-glutamine pharmacophore against leprosy pathway. acetylcysteine mediastinal_cancer GAP_LOW 0.1203 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs mediastinal_cancer targets. Cross-check acetylcysteine pharmacophore against mediastinal_cancer pathway. acetylcysteine primary_biliary_cirrhosis GAP_LOW 0.1203 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs primary_biliary_cirrhosis targets. Cross-check acetylcysteine pharmacophore against primary_biliary_cirrhosis pathway. caffeine gout GAP_LOW 0.1203 0.0 methdilazine Low-priority: Computational docking caffeine vs gout targets. Cross-check caffeine pharmacophore against gout pathway. folic_acid hypothyroidism GAP_LOW 0.1203 0.0 methimazole Low-priority: Computational docking folic_acid vs hypothyroidism targets. Cross-check folic_acid pharmacophore against hypothyroidism pathway. melphalan hypothyroidism GAP_LOW 0.1203 0.0 methimazole Low-priority: Computational docking melphalan vs hypothyroidism targets. Cross-check melphalan pharmacophore against hypothyroidism pathway. penicillamine gout GAP_LOW 0.1203 0.0 methdilazine Low-priority: Computational docking penicillamine vs gout targets. Cross-check penicillamine pharmacophore against gout pathway. penicillamine mediastinal_cancer GAP_LOW 0.1203 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs mediastinal_cancer targets. Cross-check penicillamine pharmacophore against mediastinal_cancer pathway. penicillamine primary_biliary_cirrhosis GAP_LOW 0.1203 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs primary_biliary_cirrhosis targets. Cross-check penicillamine pharmacophore against primary_biliary_cirrhosis pathway. tetrahydrofolic_acid hypothyroidism GAP_LOW 0.1203 0.0 methimazole Low-priority: Computational docking tetrahydrofolic_acid vs hypothyroidism targets. Cross-check tetrahydrofolic_acid pharmacophore against hypothyroidism pathway. thioproperazine hypothyroidism GAP_LOW 0.1203 0.0 methimazole Low-priority: Computational docking thioproperazine vs hypothyroidism targets. Cross-check thioproperazine pharmacophore against hypothyroidism pathway. amitriptyline sclerosing_cholangitis GAP_HIGH 0.1202 0.36363636363636365 atomoxetine High-priority: Binding assay amitriptyline→?; validate in sclerosing_cholangitis cell model. Expected: similar to atomoxetine (Jaccard=0.36) atomoxetine uterine_fibroid GAP_HIGH 0.1202 0.36363636363636365 benzatropine High-priority: Binding assay atomoxetine→?; validate in uterine_fibroid cell model. Expected: similar to benzatropine (Jaccard=0.36) chlordiazepoxide vascular_cancer GAP_HIGH 0.1202 0.3448275862068966 chlorpromazine High-priority: Binding assay chlordiazepoxide→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.34) levorphanol ocular_cancer GAP_HIGH 0.1202 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in ocular_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) atropine testicular_cancer GAP_HIGH 0.1202 0.25 alclometasone High-priority: Binding assay atropine→?; validate in testicular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) atropine vaginal_cancer GAP_HIGH 0.1202 0.25 alclometasone High-priority: Binding assay atropine→?; validate in vaginal_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) atropine vulva_cancer GAP_HIGH 0.1202 0.25 alclometasone High-priority: Binding assay atropine→?; validate in vulva_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) podofilox metabolic_syndrome_x GAP_HIGH 0.1202 0.25 nitroglycerin High-priority: Binding assay podofilox→?; validate in metabolic_syndrome_x cell model. Expected: similar to nitroglycerin (Jaccard=0.25) diethylpropion lung_cancer GAP_HIGH 0.1202 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in lung_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) bepotastine systemic_lupus_erythematosus GAP_HIGH 0.1202 0.2 cetirizine High-priority: Binding assay bepotastine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.20) ethylmorphine vaginal_cancer GAP_HIGH 0.1202 0.2 alverine High-priority: Binding assay ethylmorphine→?; validate in vaginal_cancer cell model. Expected: similar to alverine (Jaccard=0.20) dasatinib asthma GAP_HIGH 0.1202 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in asthma cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) dasatinib conduct_disorder GAP_HIGH 0.1202 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in conduct_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) dasatinib panic_disorder GAP_HIGH 0.1202 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in panic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) tamsulosin liver_cancer GAP_HIGH 0.1202 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) entecavir type_2_diabetes_mellitus GAP_HIGH 0.1202 0.16666666666666666 methotrexate High-priority: Binding assay entecavir→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methotrexate (Jaccard=0.17) pemetrexed epilepsy_syndrome GAP_HIGH 0.1202 0.16666666666666666 pyrimethamine High-priority: Binding assay pemetrexed→?; validate in epilepsy_syndrome cell model. Expected: similar to pyrimethamine (Jaccard=0.17) agomelatine ocular_cancer GAP_HIGH 0.1202 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in ocular_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) calcitriol duodenum_cancer GAP_LOW 0.1202 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs duodenum_cancer targets. Cross-check calcitriol pharmacophore against duodenum_cancer pathway. calcitriol gallbladder_cancer GAP_LOW 0.1202 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs gallbladder_cancer targets. Cross-check calcitriol pharmacophore against gallbladder_cancer pathway. zolpidem testicular_cancer GAP_LOW 0.1202 0.14285714285714285 alvimopan Low-priority: Computational docking zolpidem vs testicular_cancer targets. Cross-check zolpidem pharmacophore against testicular_cancer pathway. hydrochlorothiazide ankylosing_spondylitis GAP_LOW 0.1202 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs ankylosing_spondylitis targets. Cross-check hydrochlorothiazide pharmacophore against ankylosing_spondylitis pathway. telmisartan hepatitis_b GAP_LOW 0.1202 0.125 alvimopan Low-priority: Computational docking telmisartan vs hepatitis_b targets. Cross-check telmisartan pharmacophore against hepatitis_b pathway. halazepam peripheral_nervous_system_neoplasm GAP_LOW 0.1202 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs peripheral_nervous_system_neoplasm targets. Cross-check halazepam pharmacophore against peripheral_nervous_system_neoplasm pathway. halazepam urinary_bladder_cancer GAP_LOW 0.1202 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs urinary_bladder_cancer targets. Cross-check halazepam pharmacophore against urinary_bladder_cancer pathway. vapreotide colon_cancer GAP_LOW 0.1202 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs colon_cancer targets. Cross-check vapreotide pharmacophore against colon_cancer pathway. tolbutamide celiac_disease GAP_LOW 0.1202 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs celiac_disease targets. Cross-check tolbutamide pharmacophore against celiac_disease pathway. latanoprost larynx_cancer GAP_LOW 0.1202 0.06666666666666667 procarbazine Low-priority: Computational docking latanoprost vs larynx_cancer targets. Cross-check latanoprost pharmacophore against larynx_cancer pathway. pomalidomide gestational_diabetes GAP_LOW 0.1202 0.03333333333333333 bezafibrate Low-priority: Computational docking pomalidomide vs gestational_diabetes targets. Cross-check pomalidomide pharmacophore against gestational_diabetes pathway. dihomo-gamma-linolenic_acid attention_deficit_hyperactivity_disorder GAP_LOW 0.1202 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs attention_deficit_hyperactivity_disorder targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against attention_deficit_hyperactivity_disorder pathway. acetylcysteine thymus_cancer GAP_LOW 0.1202 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs thymus_cancer targets. Cross-check acetylcysteine pharmacophore against thymus_cancer pathway. aprindine pagets_disease_of_bone GAP_LOW 0.1202 0.0 ibandronate Low-priority: Computational docking aprindine vs pagets_disease_of_bone targets. Cross-check aprindine pharmacophore against pagets_disease_of_bone pathway. azelastine pagets_disease_of_bone GAP_LOW 0.1202 0.0 ibandronate Low-priority: Computational docking azelastine vs pagets_disease_of_bone targets. Cross-check azelastine pharmacophore against pagets_disease_of_bone pathway. fludiazepam pagets_disease_of_bone GAP_LOW 0.1202 0.0 ibandronate Low-priority: Computational docking fludiazepam vs pagets_disease_of_bone targets. Cross-check fludiazepam pharmacophore against pagets_disease_of_bone pathway. gefitinib pagets_disease_of_bone GAP_LOW 0.1202 0.0 ibandronate Low-priority: Computational docking gefitinib vs pagets_disease_of_bone targets. Cross-check gefitinib pharmacophore against pagets_disease_of_bone pathway. penicillamine thymus_cancer GAP_LOW 0.1202 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs thymus_cancer targets. Cross-check penicillamine pharmacophore against thymus_cancer pathway. mefenamic_acid asthma GAP_HIGH 0.1201 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in asthma cell model. Expected: similar to salsalate (Jaccard=0.32) bepridil ocular_cancer GAP_HIGH 0.1201 0.3125 phenylbutazone High-priority: Binding assay bepridil→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.31) bevantolol pancreatic_cancer GAP_HIGH 0.1201 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in pancreatic_cancer cell model. Expected: similar to propranolol (Jaccard=0.29) aceprometazine muscle_cancer GAP_HIGH 0.1201 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) atropine vascular_cancer GAP_HIGH 0.1201 0.25 alclometasone High-priority: Binding assay atropine→?; validate in vascular_cancer cell model. Expected: similar to alclometasone (Jaccard=0.25) podofilox osteoarthritis GAP_HIGH 0.1201 0.25 amsacrine High-priority: Binding assay podofilox→?; validate in osteoarthritis cell model. Expected: similar to amsacrine (Jaccard=0.25) acenocoumarol sarcoma GAP_HIGH 0.1201 0.2222222222222222 phenytoin High-priority: Binding assay acenocoumarol→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.22) testosterone meningioma GAP_HIGH 0.1201 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in meningioma cell model. Expected: similar to drospirenone (Jaccard=0.22) alendronate sclerosing_cholangitis GAP_HIGH 0.1201 0.2 propantheline High-priority: Binding assay alendronate→?; validate in sclerosing_cholangitis cell model. Expected: similar to propantheline (Jaccard=0.20) naloxone asthma GAP_HIGH 0.1201 0.18181818181818182 danazol High-priority: Binding assay naloxone→?; validate in asthma cell model. Expected: similar to danazol (Jaccard=0.18) naloxone breast_cancer GAP_HIGH 0.1201 0.18181818181818182 danazol High-priority: Binding assay naloxone→?; validate in breast_cancer cell model. Expected: similar to danazol (Jaccard=0.18) dasatinib allergic_rhinitis GAP_HIGH 0.1201 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) dasatinib hypertension GAP_HIGH 0.1201 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in hypertension cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) dapsone nicotine_dependence GAP_HIGH 0.1201 0.16666666666666666 gabapentin High-priority: Binding assay dapsone→?; validate in nicotine_dependence cell model. Expected: similar to gabapentin (Jaccard=0.17) glucosamine atherosclerosis GAP_HIGH 0.1201 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in atherosclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) ephedrine ocular_cancer GAP_LOW 0.1201 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs ocular_cancer targets. Cross-check ephedrine pharmacophore against ocular_cancer pathway. agomelatine hematologic_cancer GAP_LOW 0.1201 0.14285714285714285 flurandrenolide Low-priority: Computational docking agomelatine vs hematologic_cancer targets. Cross-check agomelatine pharmacophore against hematologic_cancer pathway. ergocalciferol mediastinal_cancer GAP_LOW 0.1201 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs mediastinal_cancer targets. Cross-check ergocalciferol pharmacophore against mediastinal_cancer pathway. zolpidem vascular_cancer GAP_LOW 0.1201 0.14285714285714285 ergocalciferol Low-priority: Computational docking zolpidem vs vascular_cancer targets. Cross-check zolpidem pharmacophore against vascular_cancer pathway. docetaxel gestational_diabetes GAP_LOW 0.1201 0.13333333333333333 gliclazide Low-priority: Computational docking docetaxel vs gestational_diabetes targets. Cross-check docetaxel pharmacophore against gestational_diabetes pathway. l-citrulline pancreatitis GAP_LOW 0.1201 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs pancreatitis targets. Cross-check l-citrulline pharmacophore against pancreatitis pathway. ephedrine refractive_error GAP_LOW 0.1201 0.11764705882352941 phenylpropanolamine Low-priority: Computational docking ephedrine vs refractive_error targets. Cross-check ephedrine pharmacophore against refractive_error pathway. midodrine pancreatitis GAP_LOW 0.1201 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs pancreatitis targets. Cross-check midodrine pharmacophore against pancreatitis pathway. trifluridine coronary_artery_disease GAP_LOW 0.1201 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs coronary_artery_disease targets. Cross-check trifluridine pharmacophore against coronary_artery_disease pathway. trifluridine narcolepsy GAP_LOW 0.1201 0.09090909090909091 l-arginine Low-priority: Computational docking trifluridine vs narcolepsy targets. Cross-check trifluridine pharmacophore against narcolepsy pathway. travoprost sclerosing_cholangitis GAP_LOW 0.1201 0.08333333333333333 spironolactone Low-priority: Computational docking travoprost vs sclerosing_cholangitis targets. Cross-check travoprost pharmacophore against sclerosing_cholangitis pathway. clofibrate focal_segmental_glomerulosclerosis GAP_LOW 0.1201 0.05 toremifene Low-priority: Computational docking clofibrate vs focal_segmental_glomerulosclerosis targets. Cross-check clofibrate pharmacophore against focal_segmental_glomerulosclerosis pathway. diphenhydramine germ_cell_cancer GAP_HIGH 0.12 0.39285714285714285 toremifene High-priority: Binding assay diphenhydramine→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.39) mazindol narcolepsy GAP_HIGH 0.12 0.3488372093023256 clomipramine High-priority: Binding assay mazindol→?; validate in narcolepsy cell model. Expected: similar to clomipramine (Jaccard=0.35) mefenamic_acid atopic_dermatitis GAP_HIGH 0.12 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in atopic_dermatitis cell model. Expected: similar to salsalate (Jaccard=0.32) mefenamic_acid breast_cancer GAP_HIGH 0.12 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in breast_cancer cell model. Expected: similar to salsalate (Jaccard=0.32) clozapine prostate_cancer GAP_HIGH 0.12 0.30434782608695654 azelastine High-priority: Binding assay clozapine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.30) tiaprofenic_acid celiac_disease GAP_HIGH 0.12 0.3 salsalate High-priority: Binding assay tiaprofenic_acid→?; validate in celiac_disease cell model. Expected: similar to salsalate (Jaccard=0.30) indecainide urinary_bladder_cancer GAP_HIGH 0.12 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) procaine colon_cancer GAP_HIGH 0.12 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in colon_cancer cell model. Expected: similar to sulfanilamide (Jaccard=0.29) aprindine sarcoma GAP_HIGH 0.12 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in sarcoma cell model. Expected: similar to dimetacrine (Jaccard=0.28) glucosamine obesity GAP_HIGH 0.12 0.2608695652173913 clenbuterol High-priority: Binding assay glucosamine→?; validate in obesity cell model. Expected: similar to clenbuterol (Jaccard=0.26) brompheniramine esophageal_cancer GAP_HIGH 0.12 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) clodronate amyotrophic_lateral_sclerosis GAP_HIGH 0.12 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to gabapentin (Jaccard=0.25) clodronate nicotine_dependence GAP_HIGH 0.12 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in nicotine_dependence cell model. Expected: similar to gabapentin (Jaccard=0.25) sulfapyridine alzheimers_disease GAP_HIGH 0.12 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in alzheimers_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) ketorolac duodenum_cancer GAP_HIGH 0.12 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.24) ketorolac gallbladder_cancer GAP_HIGH 0.12 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.24) ketorolac melanoma GAP_HIGH 0.12 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.24) flunarizine testicular_cancer GAP_HIGH 0.12 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) terbutaline conduct_disorder GAP_HIGH 0.12 0.21428571428571427 l-dopa High-priority: Binding assay terbutaline→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.21) procarbazine membranous_glomerulonephritis GAP_HIGH 0.12 0.21212121212121213 fenoprofen High-priority: Binding assay procarbazine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.21) alendronate creutzfeldt-jakob_disease GAP_HIGH 0.12 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) arbutamine kidney_cancer GAP_HIGH 0.12 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) arbutamine nephrolithiasis GAP_HIGH 0.12 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in nephrolithiasis cell model. Expected: similar to etoricoxib (Jaccard=0.20) fluspirilene systemic_lupus_erythematosus GAP_HIGH 0.12 0.2 cetirizine High-priority: Binding assay fluspirilene→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cetirizine (Jaccard=0.20) l-tryptophan sclerosing_cholangitis GAP_HIGH 0.12 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in sclerosing_cholangitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) diethylpropion type_1_diabetes_mellitus GAP_HIGH 0.12 0.18181818181818182 methylphenidate High-priority: Binding assay diethylpropion→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.18) dasatinib bipolar_disorder GAP_HIGH 0.12 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in bipolar_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) pomalidomide meningioma GAP_HIGH 0.12 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in meningioma cell model. Expected: similar to doxorubicin (Jaccard=0.17) ergocalciferol gout GAP_LOW 0.12 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs gout targets. Cross-check ergocalciferol pharmacophore against gout pathway. ergocalciferol primary_biliary_cirrhosis GAP_LOW 0.12 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs primary_biliary_cirrhosis targets. Cross-check ergocalciferol pharmacophore against primary_biliary_cirrhosis pathway. ergocalciferol thymus_cancer GAP_LOW 0.12 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs thymus_cancer targets. Cross-check ergocalciferol pharmacophore against thymus_cancer pathway. ponatinib kidney_cancer GAP_LOW 0.12 0.13043478260869565 vandetanib Low-priority: Computational docking ponatinib vs kidney_cancer targets. Cross-check ponatinib pharmacophore against kidney_cancer pathway. vapreotide chronic_obstructive_pulmonary_disease GAP_LOW 0.12 0.1 zafirlukast Low-priority: Computational docking vapreotide vs chronic_obstructive_pulmonary_disease targets. Cross-check vapreotide pharmacophore against chronic_obstructive_pulmonary_disease pathway. testosterone bone_cancer GAP_LOW 0.12 0.09090909090909091 histamine_phosphate Low-priority: Computational docking testosterone vs bone_cancer targets. Cross-check testosterone pharmacophore against bone_cancer pathway. l-aspartic_acid pancreatic_cancer GAP_LOW 0.12 0.08695652173913043 pargyline Low-priority: Computational docking l-aspartic_acid vs pancreatic_cancer targets. Cross-check l-aspartic_acid pharmacophore against pancreatic_cancer pathway. naftifine hypothyroidism GAP_LOW 0.12 0.0 methimazole Low-priority: Computational docking naftifine vs hypothyroidism targets. Cross-check naftifine pharmacophore against hypothyroidism pathway. promazine hypothyroidism GAP_LOW 0.12 0.0 methimazole Low-priority: Computational docking promazine vs hypothyroidism targets. Cross-check promazine pharmacophore against hypothyroidism pathway. trimipramine hypothyroidism GAP_LOW 0.12 0.0 methimazole Low-priority: Computational docking trimipramine vs hypothyroidism targets. Cross-check trimipramine pharmacophore against hypothyroidism pathway. warfarin hypothyroidism GAP_LOW 0.12 0.0 methimazole Low-priority: Computational docking warfarin vs hypothyroidism targets. Cross-check warfarin pharmacophore against hypothyroidism pathway. trimipramine vaginal_cancer GAP_HIGH 0.1199 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in vaginal_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) trimipramine vulva_cancer GAP_HIGH 0.1199 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in vulva_cancer cell model. Expected: similar to alimemazine (Jaccard=0.44) salsalate pharynx_cancer GAP_HIGH 0.1199 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) mefenamic_acid allergic_rhinitis GAP_HIGH 0.1199 0.3157894736842105 salsalate High-priority: Binding assay mefenamic_acid→?; validate in allergic_rhinitis cell model. Expected: similar to salsalate (Jaccard=0.32) phensuximide thyroid_cancer GAP_HIGH 0.1199 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) pargyline vaginal_cancer GAP_HIGH 0.1199 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) pargyline vulva_cancer GAP_HIGH 0.1199 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) bevantolol multiple_sclerosis GAP_HIGH 0.1199 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in multiple_sclerosis cell model. Expected: similar to propranolol (Jaccard=0.29) bevantolol sarcoma GAP_HIGH 0.1199 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in sarcoma cell model. Expected: similar to propranolol (Jaccard=0.29) prednisolone pancreatitis GAP_HIGH 0.1199 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in pancreatitis cell model. Expected: similar to amcinonide (Jaccard=0.29) benzphetamine meningioma GAP_HIGH 0.1199 0.28 diphenylpyraline High-priority: Binding assay benzphetamine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) methamphetamine urinary_bladder_cancer GAP_HIGH 0.1199 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) aprindine melanoma GAP_HIGH 0.1199 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.26) sulfapyridine autistic_disorder GAP_HIGH 0.1199 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) sulfapyridine nicotine_dependence GAP_HIGH 0.1199 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) flunarizine vascular_cancer GAP_HIGH 0.1199 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) phenoxybenzamine penile_cancer GAP_HIGH 0.1199 0.23076923076923078 methadone High-priority: Binding assay phenoxybenzamine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.23) diethylpropion urinary_bladder_cancer GAP_HIGH 0.1199 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in urinary_bladder_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) lidocaine hematologic_cancer GAP_HIGH 0.1199 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine narcolepsy GAP_HIGH 0.1199 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.21) terbutaline bipolar_disorder GAP_HIGH 0.1199 0.21428571428571427 l-dopa High-priority: Binding assay terbutaline→?; validate in bipolar_disorder cell model. Expected: similar to l-dopa (Jaccard=0.21) flunarizine germ_cell_cancer GAP_HIGH 0.1199 0.2 letrozole High-priority: Binding assay flunarizine→?; validate in germ_cell_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) phenmetrazine pharynx_cancer GAP_HIGH 0.1199 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.19) dasatinib endogenous_depression GAP_HIGH 0.1199 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in endogenous_depression cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) agomelatine urinary_bladder_cancer GAP_HIGH 0.1199 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in urinary_bladder_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) disopyramide malaria GAP_LOW 0.1199 0.12 modafinil Low-priority: Computational docking disopyramide vs malaria targets. Cross-check disopyramide pharmacophore against malaria pathway. vapreotide ovarian_cancer GAP_LOW 0.1199 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs ovarian_cancer targets. Cross-check vapreotide pharmacophore against ovarian_cancer pathway. ceruletide idiopathic_pulmonary_fibrosis GAP_LOW 0.1199 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs idiopathic_pulmonary_fibrosis targets. Cross-check ceruletide pharmacophore against idiopathic_pulmonary_fibrosis pathway. aminocaproic_acid ankylosing_spondylitis GAP_LOW 0.1199 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs ankylosing_spondylitis targets. Cross-check aminocaproic_acid pharmacophore against ankylosing_spondylitis pathway. l-asparagine type_2_diabetes_mellitus GAP_LOW 0.1199 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs type_2_diabetes_mellitus targets. Cross-check l-asparagine pharmacophore against type_2_diabetes_mellitus pathway. midodrine focal_segmental_glomerulosclerosis GAP_LOW 0.1199 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs focal_segmental_glomerulosclerosis targets. Cross-check midodrine pharmacophore against focal_segmental_glomerulosclerosis pathway. streptozocin crohns_disease GAP_LOW 0.1199 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs crohns_disease targets. Cross-check streptozocin pharmacophore against crohns_disease pathway. l-ornithine duodenum_cancer GAP_LOW 0.1199 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs duodenum_cancer targets. Cross-check l-ornithine pharmacophore against duodenum_cancer pathway. l-ornithine gallbladder_cancer GAP_LOW 0.1199 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs gallbladder_cancer targets. Cross-check l-ornithine pharmacophore against gallbladder_cancer pathway. l-ornithine melanoma GAP_LOW 0.1199 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs melanoma targets. Cross-check l-ornithine pharmacophore against melanoma pathway. conivaptan multiple_sclerosis GAP_LOW 0.1199 0.058823529411764705 clofarabine Low-priority: Computational docking conivaptan vs multiple_sclerosis targets. Cross-check conivaptan pharmacophore against multiple_sclerosis pathway. l-aspartic_acid celiac_disease GAP_LOW 0.1199 0.05555555555555555 anisotropine_methylbromide Low-priority: Computational docking l-aspartic_acid vs celiac_disease targets. Cross-check l-aspartic_acid pharmacophore against celiac_disease pathway. sulpiride malignant_mesothelioma GAP_LOW 0.1199 0.05263157894736842 melphalan Low-priority: Computational docking sulpiride vs malignant_mesothelioma targets. Cross-check sulpiride pharmacophore against malignant_mesothelioma pathway. calcium_acetate prostate_cancer GAP_LOW 0.1199 0.04 procaine Low-priority: Computational docking calcium_acetate vs prostate_cancer targets. Cross-check calcium_acetate pharmacophore against prostate_cancer pathway. irbesartan membranous_glomerulonephritis GAP_LOW 0.1199 0.016666666666666666 adenosine_monophosphate Low-priority: Computational docking irbesartan vs membranous_glomerulonephritis targets. Cross-check irbesartan pharmacophore against membranous_glomerulonephritis pathway. dihomo-gamma-linolenic_acid conduct_disorder GAP_LOW 0.1199 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs conduct_disorder targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against conduct_disorder pathway. choline gestational_diabetes GAP_LOW 0.1199 0.0 tolazamide Low-priority: Computational docking choline vs gestational_diabetes targets. Cross-check choline pharmacophore against gestational_diabetes pathway. gliclazide bone_cancer GAP_LOW 0.1199 0.0 ibandronate Low-priority: Computational docking gliclazide vs bone_cancer targets. Cross-check gliclazide pharmacophore against bone_cancer pathway. loratadine bone_cancer GAP_LOW 0.1199 0.0 ibandronate Low-priority: Computational docking loratadine vs bone_cancer targets. Cross-check loratadine pharmacophore against bone_cancer pathway. loratadine gestational_diabetes GAP_LOW 0.1199 0.0 tolazamide Low-priority: Computational docking loratadine vs gestational_diabetes targets. Cross-check loratadine pharmacophore against gestational_diabetes pathway. tolazamide bone_cancer GAP_LOW 0.1199 0.0 ibandronate Low-priority: Computational docking tolazamide vs bone_cancer targets. Cross-check tolazamide pharmacophore against bone_cancer pathway. flurbiprofen gout GAP_HIGH 0.1198 0.3333333333333333 methdilazine High-priority: Binding assay flurbiprofen→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.33) carbidopa azoospermia GAP_HIGH 0.1198 0.29411764705882354 salicylate-sodium High-priority: Binding assay carbidopa→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.29) pargyline testicular_cancer GAP_HIGH 0.1198 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) procaine ulcerative_colitis GAP_HIGH 0.1198 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in ulcerative_colitis cell model. Expected: similar to sulfanilamide (Jaccard=0.29) fludiazepam mediastinal_cancer GAP_HIGH 0.1198 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) indecainide refractive_error GAP_HIGH 0.1198 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in refractive_error cell model. Expected: similar to penbutolol (Jaccard=0.25) podofilox obesity GAP_HIGH 0.1198 0.25 nitroglycerin High-priority: Binding assay podofilox→?; validate in obesity cell model. Expected: similar to nitroglycerin (Jaccard=0.25) l-histidine thyroid_cancer GAP_HIGH 0.1198 0.24 liothyronine High-priority: Binding assay l-histidine→?; validate in thyroid_cancer cell model. Expected: similar to liothyronine (Jaccard=0.24) flunarizine uterine_cancer GAP_HIGH 0.1198 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in uterine_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) testosterone crohns_disease GAP_HIGH 0.1198 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in crohns_disease cell model. Expected: similar to drospirenone (Jaccard=0.22) imatinib colon_cancer GAP_HIGH 0.1198 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) anileridine focal_segmental_glomerulosclerosis GAP_HIGH 0.1198 0.18181818181818182 toremifene High-priority: Binding assay anileridine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to toremifene (Jaccard=0.18) naloxone osteoporosis GAP_HIGH 0.1198 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in osteoporosis cell model. Expected: similar to dexamethasone (Jaccard=0.18) chlorthalidone urinary_bladder_cancer GAP_HIGH 0.1198 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.18) dasatinib multiple_sclerosis GAP_HIGH 0.1198 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in multiple_sclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) methyldopa leprosy GAP_HIGH 0.1198 0.16666666666666666 sulfapyridine High-priority: Binding assay methyldopa→?; validate in leprosy cell model. Expected: similar to sulfapyridine (Jaccard=0.17) dasatinib hematologic_cancer GAP_HIGH 0.1198 0.15625 ponatinib High-priority: Binding assay dasatinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.16) ephedrine peripheral_nervous_system_neoplasm GAP_LOW 0.1198 0.15 phenylbutazone Low-priority: Computational docking ephedrine vs peripheral_nervous_system_neoplasm targets. Cross-check ephedrine pharmacophore against peripheral_nervous_system_neoplasm pathway. calcitriol sclerosing_cholangitis GAP_LOW 0.1198 0.14285714285714285 ursodeoxycholic_acid Low-priority: Computational docking calcitriol vs sclerosing_cholangitis targets. Cross-check calcitriol pharmacophore against sclerosing_cholangitis pathway. ergocalciferol coronary_artery_disease GAP_LOW 0.1198 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs coronary_artery_disease targets. Cross-check ergocalciferol pharmacophore against coronary_artery_disease pathway. l-citrulline rectum_cancer GAP_LOW 0.1198 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs rectum_cancer targets. Cross-check l-citrulline pharmacophore against rectum_cancer pathway. vitamin_a meningioma GAP_LOW 0.1198 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs meningioma targets. Cross-check vitamin_a pharmacophore against meningioma pathway. fenbufen celiac_disease GAP_LOW 0.1198 0.11538461538461539 pseudoephedrine Low-priority: Computational docking fenbufen vs celiac_disease targets. Cross-check fenbufen pharmacophore against celiac_disease pathway. aminocaproic_acid ocular_cancer GAP_LOW 0.1198 0.09090909090909091 vorinostat Low-priority: Computational docking aminocaproic_acid vs ocular_cancer targets. Cross-check aminocaproic_acid pharmacophore against ocular_cancer pathway. l-asparagine vitiligo GAP_LOW 0.1198 0.08695652173913043 l-lysine Low-priority: Computational docking l-asparagine vs vitiligo targets. Cross-check l-asparagine pharmacophore against vitiligo pathway. atenolol acquired_immunodeficiency_syndrome GAP_LOW 0.1198 0.08333333333333333 alvimopan Low-priority: Computational docking atenolol vs acquired_immunodeficiency_syndrome targets. Cross-check atenolol pharmacophore against acquired_immunodeficiency_syndrome pathway. aminocaproic_acid primary_biliary_cirrhosis GAP_LOW 0.1198 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs primary_biliary_cirrhosis targets. Cross-check aminocaproic_acid pharmacophore against primary_biliary_cirrhosis pathway. trandolapril leprosy GAP_LOW 0.1198 0.07692307692307693 sulfapyridine Low-priority: Computational docking trandolapril vs leprosy targets. Cross-check trandolapril pharmacophore against leprosy pathway. midodrine alopecia_areata GAP_LOW 0.1198 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking midodrine vs alopecia_areata targets. Cross-check midodrine pharmacophore against alopecia_areata pathway. nimodipine gout GAP_LOW 0.1198 0.07142857142857142 pirenzepine Low-priority: Computational docking nimodipine vs gout targets. Cross-check nimodipine pharmacophore against gout pathway. diclofenamide alcohol_dependence GAP_LOW 0.1198 0.05263157894736842 mazindol Low-priority: Computational docking diclofenamide vs alcohol_dependence targets. Cross-check diclofenamide pharmacophore against alcohol_dependence pathway. dihomo-gamma-linolenic_acid bipolar_disorder GAP_LOW 0.1198 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs bipolar_disorder targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against bipolar_disorder pathway. reboxetine duodenum_cancer GAP_HIGH 0.1197 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.33) reboxetine gallbladder_cancer GAP_HIGH 0.1197 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.33) temazepam sarcoma GAP_HIGH 0.1197 0.3333333333333333 chlorcyclizine High-priority: Binding assay temazepam→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.33) flurbiprofen glaucoma GAP_HIGH 0.1197 0.2962962962962963 atenolol High-priority: Binding assay flurbiprofen→?; validate in glaucoma cell model. Expected: similar to atenolol (Jaccard=0.30) pargyline vascular_cancer GAP_HIGH 0.1197 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.29) bevantolol systemic_lupus_erythematosus GAP_HIGH 0.1197 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to propranolol (Jaccard=0.29) benzphetamine hematologic_cancer GAP_HIGH 0.1197 0.2857142857142857 isopropamide High-priority: Binding assay benzphetamine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.29) mitiglinide rheumatoid_arthritis GAP_HIGH 0.1197 0.2857142857142857 methylphenidate High-priority: Binding assay mitiglinide→?; validate in rheumatoid_arthritis cell model. Expected: similar to methylphenidate (Jaccard=0.29) procaine psoriasis GAP_HIGH 0.1197 0.2857142857142857 sulfanilamide High-priority: Binding assay procaine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.29) fludiazepam thymus_cancer GAP_HIGH 0.1197 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) aceprometazine urinary_bladder_cancer GAP_HIGH 0.1197 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) flunarizine systemic_scleroderma GAP_HIGH 0.1197 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.23) methyltestosterone amyotrophic_lateral_sclerosis GAP_HIGH 0.1197 0.22727272727272727 fludrocortisone High-priority: Binding assay methyltestosterone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.23) imatinib pancreatic_cancer GAP_HIGH 0.1197 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in pancreatic_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) epirubicin refractive_error GAP_HIGH 0.1197 0.2 acetazolamide High-priority: Binding assay epirubicin→?; validate in refractive_error cell model. Expected: similar to acetazolamide (Jaccard=0.20) ospemifene penile_cancer GAP_HIGH 0.1197 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in penile_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) phenmetrazine membranous_glomerulonephritis GAP_HIGH 0.1197 0.16666666666666666 mitiglinide High-priority: Binding assay phenmetrazine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.17) quinethazone breast_cancer GAP_HIGH 0.1197 0.16666666666666666 nateglinide High-priority: Binding assay quinethazone→?; validate in breast_cancer cell model. Expected: similar to nateglinide (Jaccard=0.17) etidronic_acid sclerosing_cholangitis GAP_LOW 0.1197 0.14285714285714285 dapsone Low-priority: Computational docking etidronic_acid vs sclerosing_cholangitis targets. Cross-check etidronic_acid pharmacophore against sclerosing_cholangitis pathway. chlorphenesin atherosclerosis GAP_LOW 0.1197 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs atherosclerosis targets. Cross-check chlorphenesin pharmacophore against atherosclerosis pathway. l-citrulline ocular_cancer GAP_LOW 0.1197 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs ocular_cancer targets. Cross-check l-citrulline pharmacophore against ocular_cancer pathway. nabumetone creutzfeldt-jakob_disease GAP_LOW 0.1197 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs creutzfeldt-jakob_disease targets. Cross-check nabumetone pharmacophore against creutzfeldt-jakob_disease pathway. ephedrine brain_cancer GAP_LOW 0.1197 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs brain_cancer targets. Cross-check ephedrine pharmacophore against brain_cancer pathway. ephedrine intracranial_aneurysm GAP_LOW 0.1197 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs intracranial_aneurysm targets. Cross-check ephedrine pharmacophore against intracranial_aneurysm pathway. felypressin metabolic_syndrome_x GAP_LOW 0.1197 0.1 clopidogrel Low-priority: Computational docking felypressin vs metabolic_syndrome_x targets. Cross-check felypressin pharmacophore against metabolic_syndrome_x pathway. quinacrine salivary_gland_cancer GAP_LOW 0.1197 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs salivary_gland_cancer targets. Cross-check quinacrine pharmacophore against salivary_gland_cancer pathway. terlipressin metabolic_syndrome_x GAP_LOW 0.1197 0.1 clopidogrel Low-priority: Computational docking terlipressin vs metabolic_syndrome_x targets. Cross-check terlipressin pharmacophore against metabolic_syndrome_x pathway. paricalcitol atherosclerosis GAP_LOW 0.1197 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs atherosclerosis targets. Cross-check paricalcitol pharmacophore against atherosclerosis pathway. nabumetone alopecia_areata GAP_LOW 0.1197 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs alopecia_areata targets. Cross-check nabumetone pharmacophore against alopecia_areata pathway. vapreotide focal_segmental_glomerulosclerosis GAP_LOW 0.1197 0.07142857142857142 ergocalciferol Low-priority: Computational docking vapreotide vs focal_segmental_glomerulosclerosis targets. Cross-check vapreotide pharmacophore against focal_segmental_glomerulosclerosis pathway. streptozocin celiac_disease GAP_LOW 0.1197 0.0625 salsalate Low-priority: Computational docking streptozocin vs celiac_disease targets. Cross-check streptozocin pharmacophore against celiac_disease pathway. tofisopam kidney_cancer GAP_LOW 0.1197 0.047619047619047616 proparacaine Low-priority: Computational docking tofisopam vs kidney_cancer targets. Cross-check tofisopam pharmacophore against kidney_cancer pathway. dihomo-gamma-linolenic_acid endogenous_depression GAP_LOW 0.1197 0.015873015873015872 l-citrulline Low-priority: Computational docking dihomo-gamma-linolenic_acid vs endogenous_depression targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against endogenous_depression pathway. dihomo-gamma-linolenic_acid parkinsons_disease GAP_LOW 0.1197 0.011494252873563218 l-glutamine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs parkinsons_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against parkinsons_disease pathway. cyclopentolate hypothyroidism GAP_LOW 0.1197 0.0 methimazole Low-priority: Computational docking cyclopentolate vs hypothyroidism targets. Cross-check cyclopentolate pharmacophore against hypothyroidism pathway. fluticasone_propionate hypothyroidism GAP_LOW 0.1197 0.0 methimazole Low-priority: Computational docking fluticasone_propionate vs hypothyroidism targets. Cross-check fluticasone_propionate pharmacophore against hypothyroidism pathway. isopropamide hypothyroidism GAP_LOW 0.1197 0.0 methimazole Low-priority: Computational docking isopropamide vs hypothyroidism targets. Cross-check isopropamide pharmacophore against hypothyroidism pathway. reboxetine hypothyroidism GAP_LOW 0.1197 0.0 methimazole Low-priority: Computational docking reboxetine vs hypothyroidism targets. Cross-check reboxetine pharmacophore against hypothyroidism pathway. salsalate thyroid_cancer GAP_HIGH 0.1196 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) doxepin prostate_cancer GAP_HIGH 0.1196 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) norethindrone hypertension GAP_HIGH 0.1196 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in hypertension cell model. Expected: similar to dydrogesterone (Jaccard=0.33) warfarin gilles_de_la_tourette_syndrome GAP_HIGH 0.1196 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to modafinil (Jaccard=0.33) aceprometazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1196 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.25) imatinib psoriasis GAP_HIGH 0.1196 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.21) imatinib ulcerative_colitis GAP_HIGH 0.1196 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in ulcerative_colitis cell model. Expected: similar to sorafenib (Jaccard=0.21) benzatropine alcohol_dependence GAP_HIGH 0.1196 0.16666666666666666 ethylmorphine High-priority: Binding assay benzatropine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.17) fluspirilene membranous_glomerulonephritis GAP_HIGH 0.1196 0.16666666666666666 perphenazine High-priority: Binding assay fluspirilene→?; validate in membranous_glomerulonephritis cell model. Expected: similar to perphenazine (Jaccard=0.17) indapamide refractive_error GAP_HIGH 0.1196 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in refractive_error cell model. Expected: similar to diclofenamide (Jaccard=0.17) isocarboxazid malignant_mesothelioma GAP_HIGH 0.1196 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.17) stanozolol alzheimers_disease GAP_HIGH 0.1196 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in alzheimers_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) stanozolol parkinsons_disease GAP_HIGH 0.1196 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in parkinsons_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) conjugated_estrogens type_1_diabetes_mellitus GAP_LOW 0.1196 0.13333333333333333 betamethasone Low-priority: Computational docking conjugated_estrogens vs type_1_diabetes_mellitus targets. Cross-check conjugated_estrogens pharmacophore against type_1_diabetes_mellitus pathway. zolpidem hematologic_cancer GAP_LOW 0.1196 0.125 salicylate-sodium Low-priority: Computational docking zolpidem vs hematologic_cancer targets. Cross-check zolpidem pharmacophore against hematologic_cancer pathway. midodrine nicotine_dependence GAP_LOW 0.1196 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs nicotine_dependence targets. Cross-check midodrine pharmacophore against nicotine_dependence pathway. ceruletide gout GAP_LOW 0.1196 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs gout targets. Cross-check ceruletide pharmacophore against gout pathway. imipramine gestational_diabetes GAP_LOW 0.1196 0.08333333333333333 glimepiride Low-priority: Computational docking imipramine vs gestational_diabetes targets. Cross-check imipramine pharmacophore against gestational_diabetes pathway. levonorgestrel alcohol_dependence GAP_LOW 0.1196 0.08333333333333333 naloxone Low-priority: Computational docking levonorgestrel vs alcohol_dependence targets. Cross-check levonorgestrel pharmacophore against alcohol_dependence pathway. midodrine type_1_diabetes_mellitus GAP_LOW 0.1196 0.07692307692307693 pasireotide Low-priority: Computational docking midodrine vs type_1_diabetes_mellitus targets. Cross-check midodrine pharmacophore against type_1_diabetes_mellitus pathway. streptozocin chronic_kidney_failure GAP_LOW 0.1196 0.0625 salsalate Low-priority: Computational docking streptozocin vs chronic_kidney_failure targets. Cross-check streptozocin pharmacophore against chronic_kidney_failure pathway. l-aspartic_acid head_and_neck_cancer GAP_LOW 0.1196 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs head_and_neck_cancer targets. Cross-check l-aspartic_acid pharmacophore against head_and_neck_cancer pathway. l-aspartic_acid malignant_glioma GAP_LOW 0.1196 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs malignant_glioma targets. Cross-check l-aspartic_acid pharmacophore against malignant_glioma pathway. tofisopam nephrolithiasis GAP_LOW 0.1196 0.047619047619047616 proparacaine Low-priority: Computational docking tofisopam vs nephrolithiasis targets. Cross-check tofisopam pharmacophore against nephrolithiasis pathway. estriol hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking estriol vs hepatitis_b targets. Cross-check estriol pharmacophore against hepatitis_b pathway. estropipate hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking estropipate vs hepatitis_b targets. Cross-check estropipate pharmacophore against hepatitis_b pathway. mannitol hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking mannitol vs hepatitis_b targets. Cross-check mannitol pharmacophore against hepatitis_b pathway. nicardipine hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking nicardipine vs hepatitis_b targets. Cross-check nicardipine pharmacophore against hepatitis_b pathway. nilvadipine hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking nilvadipine vs hepatitis_b targets. Cross-check nilvadipine pharmacophore against hepatitis_b pathway. pravastatin hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking pravastatin vs hepatitis_b targets. Cross-check pravastatin pharmacophore against hepatitis_b pathway. tauroursodeoxycholic_acid hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking tauroursodeoxycholic_acid vs hepatitis_b targets. Cross-check tauroursodeoxycholic_acid pharmacophore against hepatitis_b pathway. vitamin_c hepatitis_b GAP_LOW 0.1196 0.0 mitiglinide Low-priority: Computational docking vitamin_c vs hepatitis_b targets. Cross-check vitamin_c pharmacophore against hepatitis_b pathway. promazine pharynx_cancer GAP_HIGH 0.1195 0.41379310344827586 methadone High-priority: Binding assay promazine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.41) clozapine hematologic_cancer GAP_HIGH 0.1195 0.30434782608695654 azelastine High-priority: Binding assay clozapine→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.30) bevantolol skin_cancer GAP_HIGH 0.1195 0.2916666666666667 propranolol High-priority: Binding assay bevantolol→?; validate in skin_cancer cell model. Expected: similar to propranolol (Jaccard=0.29) indecainide stomach_cancer GAP_HIGH 0.1195 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in stomach_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) clodronate conduct_disorder GAP_HIGH 0.1195 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in conduct_disorder cell model. Expected: similar to gabapentin (Jaccard=0.25) clodronate panic_disorder GAP_HIGH 0.1195 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in panic_disorder cell model. Expected: similar to gabapentin (Jaccard=0.25) clodronate schizophrenia GAP_HIGH 0.1195 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in schizophrenia cell model. Expected: similar to gabapentin (Jaccard=0.25) indecainide chronic_kidney_failure GAP_HIGH 0.1195 0.25 mirtazapine High-priority: Binding assay indecainide→?; validate in chronic_kidney_failure cell model. Expected: similar to mirtazapine (Jaccard=0.25) cinnarizine chronic_kidney_failure GAP_HIGH 0.1195 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in chronic_kidney_failure cell model. Expected: similar to clotrimazole (Jaccard=0.23) imatinib osteoporosis GAP_HIGH 0.1195 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.21) imatinib ovarian_cancer GAP_HIGH 0.1195 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in ovarian_cancer cell model. Expected: similar to sorafenib (Jaccard=0.21) alvimopan azoospermia GAP_HIGH 0.1195 0.2 aprindine High-priority: Binding assay alvimopan→?; validate in azoospermia cell model. Expected: similar to aprindine (Jaccard=0.20) epirubicin chronic_kidney_failure GAP_HIGH 0.1195 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in chronic_kidney_failure cell model. Expected: similar to amsacrine (Jaccard=0.20) l-tryptophan ankylosing_spondylitis GAP_HIGH 0.1195 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in ankylosing_spondylitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) practolol psoriasis GAP_HIGH 0.1195 0.18181818181818182 nitrazepam High-priority: Binding assay practolol→?; validate in psoriasis cell model. Expected: similar to nitrazepam (Jaccard=0.18) ospemifene malignant_mesothelioma GAP_HIGH 0.1195 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in malignant_mesothelioma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) stanozolol autistic_disorder GAP_HIGH 0.1195 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) stanozolol nicotine_dependence GAP_HIGH 0.1195 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in nicotine_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.17) agomelatine testicular_cancer GAP_HIGH 0.1195 0.15789473684210525 salsalate High-priority: Binding assay agomelatine→?; validate in testicular_cancer cell model. Expected: similar to salsalate (Jaccard=0.16) agomelatine vulva_cancer GAP_HIGH 0.1195 0.15789473684210525 salsalate High-priority: Binding assay agomelatine→?; validate in vulva_cancer cell model. Expected: similar to salsalate (Jaccard=0.16) phenylephrine prostate_cancer GAP_HIGH 0.1195 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in prostate_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.16) midodrine urinary_bladder_cancer GAP_LOW 0.1195 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs urinary_bladder_cancer targets. Cross-check midodrine pharmacophore against urinary_bladder_cancer pathway. prazepam penile_cancer GAP_LOW 0.1195 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs penile_cancer targets. Cross-check prazepam pharmacophore against penile_cancer pathway. aminocaproic_acid urinary_bladder_cancer GAP_LOW 0.1195 0.09090909090909091 vorinostat Low-priority: Computational docking aminocaproic_acid vs urinary_bladder_cancer targets. Cross-check aminocaproic_acid pharmacophore against urinary_bladder_cancer pathway. aminocaproic_acid pancreatitis GAP_LOW 0.1195 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs pancreatitis targets. Cross-check aminocaproic_acid pharmacophore against pancreatitis pathway. ceruletide type_1_diabetes_mellitus GAP_LOW 0.1195 0.08333333333333333 vapreotide Low-priority: Computational docking ceruletide vs type_1_diabetes_mellitus targets. Cross-check ceruletide pharmacophore against type_1_diabetes_mellitus pathway. indomethacin lymphatic_system_cancer GAP_LOW 0.1195 0.08333333333333333 glucosamine Low-priority: Computational docking indomethacin vs lymphatic_system_cancer targets. Cross-check indomethacin pharmacophore against lymphatic_system_cancer pathway. tolbutamide hepatitis_b GAP_LOW 0.1195 0.07692307692307693 trandolapril Low-priority: Computational docking tolbutamide vs hepatitis_b targets. Cross-check tolbutamide pharmacophore against hepatitis_b pathway. dyphylline hepatitis_b GAP_LOW 0.1195 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs hepatitis_b targets. Cross-check dyphylline pharmacophore against hepatitis_b pathway. gliclazide malaria GAP_LOW 0.1195 0.06666666666666667 sulfapyridine Low-priority: Computational docking gliclazide vs malaria targets. Cross-check gliclazide pharmacophore against malaria pathway. amphetamine celiac_disease GAP_LOW 0.1195 0.058823529411764705 sorafenib Low-priority: Computational docking amphetamine vs celiac_disease targets. Cross-check amphetamine pharmacophore against celiac_disease pathway. glipizide prostate_cancer GAP_LOW 0.1195 0.041666666666666664 trimipramine Low-priority: Computational docking glipizide vs prostate_cancer targets. Cross-check glipizide pharmacophore against prostate_cancer pathway. pravastatin coronary_artery_disease GAP_LOW 0.1195 0.04 phenacemide Low-priority: Computational docking pravastatin vs coronary_artery_disease targets. Cross-check pravastatin pharmacophore against coronary_artery_disease pathway. alverine pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking alverine vs pagets_disease_of_bone targets. Cross-check alverine pharmacophore against pagets_disease_of_bone pathway. amlodipine atherosclerosis GAP_LOW 0.1195 0.0 fenoprofen Low-priority: Computational docking amlodipine vs atherosclerosis targets. Cross-check amlodipine pharmacophore against atherosclerosis pathway. amlodipine lymphatic_system_cancer GAP_LOW 0.1195 0.0 vinblastine Low-priority: Computational docking amlodipine vs lymphatic_system_cancer targets. Cross-check amlodipine pharmacophore against lymphatic_system_cancer pathway. carboprost_tromethamine lymphatic_system_cancer GAP_LOW 0.1195 0.0 vinblastine Low-priority: Computational docking carboprost_tromethamine vs lymphatic_system_cancer targets. Cross-check carboprost_tromethamine pharmacophore against lymphatic_system_cancer pathway. conivaptan atherosclerosis GAP_LOW 0.1195 0.0 fenoprofen Low-priority: Computational docking conivaptan vs atherosclerosis targets. Cross-check conivaptan pharmacophore against atherosclerosis pathway. dextroamphetamine pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking dextroamphetamine vs pagets_disease_of_bone targets. Cross-check dextroamphetamine pharmacophore against pagets_disease_of_bone pathway. docetaxel pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking docetaxel vs pagets_disease_of_bone targets. Cross-check docetaxel pharmacophore against pagets_disease_of_bone pathway. doxorubicin pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking doxorubicin vs pagets_disease_of_bone targets. Cross-check doxorubicin pharmacophore against pagets_disease_of_bone pathway. entecavir pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking entecavir vs pagets_disease_of_bone targets. Cross-check entecavir pharmacophore against pagets_disease_of_bone pathway. epoprostenol lymphatic_system_cancer GAP_LOW 0.1195 0.0 vinblastine Low-priority: Computational docking epoprostenol vs lymphatic_system_cancer targets. Cross-check epoprostenol pharmacophore against lymphatic_system_cancer pathway. eprosartan atherosclerosis GAP_LOW 0.1195 0.0 fenoprofen Low-priority: Computational docking eprosartan vs atherosclerosis targets. Cross-check eprosartan pharmacophore against atherosclerosis pathway. irbesartan focal_segmental_glomerulosclerosis GAP_LOW 0.1195 0.0 methdilazine Low-priority: Computational docking irbesartan vs focal_segmental_glomerulosclerosis targets. Cross-check irbesartan pharmacophore against focal_segmental_glomerulosclerosis pathway. losartan focal_segmental_glomerulosclerosis GAP_LOW 0.1195 0.0 methdilazine Low-priority: Computational docking losartan vs focal_segmental_glomerulosclerosis targets. Cross-check losartan pharmacophore against focal_segmental_glomerulosclerosis pathway. nortriptyline pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking nortriptyline vs pagets_disease_of_bone targets. Cross-check nortriptyline pharmacophore against pagets_disease_of_bone pathway. valsartan focal_segmental_glomerulosclerosis GAP_LOW 0.1195 0.0 methdilazine Low-priority: Computational docking valsartan vs focal_segmental_glomerulosclerosis targets. Cross-check valsartan pharmacophore against focal_segmental_glomerulosclerosis pathway. vandetanib pagets_disease_of_bone GAP_LOW 0.1195 0.0 ibandronate Low-priority: Computational docking vandetanib vs pagets_disease_of_bone targets. Cross-check vandetanib pharmacophore against pagets_disease_of_bone pathway. trimipramine uterine_fibroid GAP_HIGH 0.1194 0.4444444444444444 alimemazine High-priority: Binding assay trimipramine→?; validate in uterine_fibroid cell model. Expected: similar to alimemazine (Jaccard=0.44) doxepin mediastinal_cancer GAP_HIGH 0.1194 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) etoricoxib hypertension GAP_HIGH 0.1194 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in hypertension cell model. Expected: similar to polythiazide (Jaccard=0.33) modafinil atherosclerosis GAP_HIGH 0.1194 0.3333333333333333 warfarin High-priority: Binding assay modafinil→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.33) pargyline uterine_fibroid GAP_HIGH 0.1194 0.29411764705882354 lacosamide High-priority: Binding assay pargyline→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.29) dydrogesterone pancreatitis GAP_HIGH 0.1194 0.2857142857142857 betamethasone High-priority: Binding assay dydrogesterone→?; validate in pancreatitis cell model. Expected: similar to betamethasone (Jaccard=0.29) levorphanol hypertension GAP_HIGH 0.1194 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in hypertension cell model. Expected: similar to exemestane (Jaccard=0.28) glucosamine type_2_diabetes_mellitus GAP_HIGH 0.1194 0.2608695652173913 clenbuterol High-priority: Binding assay glucosamine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to clenbuterol (Jaccard=0.26) diclofenac coronary_artery_disease GAP_HIGH 0.1194 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in coronary_artery_disease cell model. Expected: similar to oxaprozin (Jaccard=0.24) diclofenac narcolepsy GAP_HIGH 0.1194 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in narcolepsy cell model. Expected: similar to oxaprozin (Jaccard=0.24) diethylpropion stomach_cancer GAP_HIGH 0.1194 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in stomach_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) testosterone idiopathic_pulmonary_fibrosis GAP_HIGH 0.1194 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to drospirenone (Jaccard=0.22) antazoline membranous_glomerulonephritis GAP_HIGH 0.1194 0.21428571428571427 promethazine High-priority: Binding assay antazoline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.21) alendronate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1194 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate epilepsy_syndrome GAP_HIGH 0.1194 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in epilepsy_syndrome cell model. Expected: similar to mirtazapine (Jaccard=0.20) thalidomide lung_cancer GAP_HIGH 0.1194 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in lung_cancer cell model. Expected: similar to olsalazine (Jaccard=0.19) mepenzolate glaucoma GAP_HIGH 0.1194 0.16666666666666666 metaraminol High-priority: Binding assay mepenzolate→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.17) agomelatine vascular_cancer GAP_HIGH 0.1194 0.15789473684210525 salsalate High-priority: Binding assay agomelatine→?; validate in vascular_cancer cell model. Expected: similar to salsalate (Jaccard=0.16) zafirlukast thyroid_cancer GAP_HIGH 0.1194 0.15384615384615385 linaclotide High-priority: Binding assay zafirlukast→?; validate in thyroid_cancer cell model. Expected: similar to linaclotide (Jaccard=0.15) hydromorphone brain_cancer GAP_LOW 0.1194 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs brain_cancer targets. Cross-check hydromorphone pharmacophore against brain_cancer pathway. paricalcitol sclerosing_cholangitis GAP_LOW 0.1194 0.14285714285714285 ursodeoxycholic_acid Low-priority: Computational docking paricalcitol vs sclerosing_cholangitis targets. Cross-check paricalcitol pharmacophore against sclerosing_cholangitis pathway. mepyramine atherosclerosis GAP_LOW 0.1194 0.13333333333333333 warfarin Low-priority: Computational docking mepyramine vs atherosclerosis targets. Cross-check mepyramine pharmacophore against atherosclerosis pathway. halazepam sarcoma GAP_LOW 0.1194 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs sarcoma targets. Cross-check halazepam pharmacophore against sarcoma pathway. ceruletide hematologic_cancer GAP_LOW 0.1194 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs hematologic_cancer targets. Cross-check ceruletide pharmacophore against hematologic_cancer pathway. quinacrine ocular_cancer GAP_LOW 0.1194 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs ocular_cancer targets. Cross-check quinacrine pharmacophore against ocular_cancer pathway. travoprost restless_legs_syndrome GAP_LOW 0.1194 0.09090909090909091 salicylic_acid Low-priority: Computational docking travoprost vs restless_legs_syndrome targets. Cross-check travoprost pharmacophore against restless_legs_syndrome pathway. methocarbamol germ_cell_cancer GAP_LOW 0.1194 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs germ_cell_cancer targets. Cross-check methocarbamol pharmacophore against germ_cell_cancer pathway. ritodrine dilated_cardiomyopathy GAP_LOW 0.1194 0.06666666666666667 medrysone Low-priority: Computational docking ritodrine vs dilated_cardiomyopathy targets. Cross-check ritodrine pharmacophore against dilated_cardiomyopathy pathway. l-aspartic_acid nephrolithiasis GAP_LOW 0.1194 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs nephrolithiasis targets. Cross-check l-aspartic_acid pharmacophore against nephrolithiasis pathway. bimatoprost atherosclerosis GAP_LOW 0.1194 0.05 naproxen Low-priority: Computational docking bimatoprost vs atherosclerosis targets. Cross-check bimatoprost pharmacophore against atherosclerosis pathway. pravastatin hematologic_cancer GAP_LOW 0.1194 0.04 phenacemide Low-priority: Computational docking pravastatin vs hematologic_cancer targets. Cross-check pravastatin pharmacophore against hematologic_cancer pathway. pravastatin narcolepsy GAP_LOW 0.1194 0.04 phenacemide Low-priority: Computational docking pravastatin vs narcolepsy targets. Cross-check pravastatin pharmacophore against narcolepsy pathway. ponatinib dilated_cardiomyopathy GAP_LOW 0.1194 0.037037037037037035 ciprofloxacin Low-priority: Computational docking ponatinib vs dilated_cardiomyopathy targets. Cross-check ponatinib pharmacophore against dilated_cardiomyopathy pathway. carbidopa hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking carbidopa vs hypothyroidism targets. Cross-check carbidopa pharmacophore against hypothyroidism pathway. dimetacrine hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking dimetacrine vs hypothyroidism targets. Cross-check dimetacrine pharmacophore against hypothyroidism pathway. fenoprofen hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking fenoprofen vs hypothyroidism targets. Cross-check fenoprofen pharmacophore against hypothyroidism pathway. ibuprofen gilles_de_la_tourette_syndrome GAP_LOW 0.1194 0.0 loxapine Low-priority: Computational docking ibuprofen vs gilles_de_la_tourette_syndrome targets. Cross-check ibuprofen pharmacophore against gilles_de_la_tourette_syndrome pathway. irbesartan gilles_de_la_tourette_syndrome GAP_LOW 0.1194 0.0 loxapine Low-priority: Computational docking irbesartan vs gilles_de_la_tourette_syndrome targets. Cross-check irbesartan pharmacophore against gilles_de_la_tourette_syndrome pathway. losartan gilles_de_la_tourette_syndrome GAP_LOW 0.1194 0.0 loxapine Low-priority: Computational docking losartan vs gilles_de_la_tourette_syndrome targets. Cross-check losartan pharmacophore against gilles_de_la_tourette_syndrome pathway. phenacemide hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking phenacemide vs hypothyroidism targets. Cross-check phenacemide pharmacophore against hypothyroidism pathway. salicylate-sodium hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking salicylate-sodium vs hypothyroidism targets. Cross-check salicylate-sodium pharmacophore against hypothyroidism pathway. tamoxifen hypothyroidism GAP_LOW 0.1194 0.0 methimazole Low-priority: Computational docking tamoxifen vs hypothyroidism targets. Cross-check tamoxifen pharmacophore against hypothyroidism pathway. modafinil liver_cancer GAP_HIGH 0.1193 0.42857142857142855 diphenhydramine High-priority: Binding assay modafinil→?; validate in liver_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.43) salsalate salivary_gland_cancer GAP_HIGH 0.1193 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) doxepin thymus_cancer GAP_HIGH 0.1193 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) norethindrone sarcoma GAP_HIGH 0.1193 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in sarcoma cell model. Expected: similar to dydrogesterone (Jaccard=0.33) aprindine vascular_cancer GAP_HIGH 0.1193 0.2777777777777778 dimetacrine High-priority: Binding assay aprindine→?; validate in vascular_cancer cell model. Expected: similar to dimetacrine (Jaccard=0.28) salicylic_acid chronic_kidney_failure GAP_HIGH 0.1193 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in chronic_kidney_failure cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) glucosamine vitiligo GAP_HIGH 0.1193 0.2608695652173913 epinephrine High-priority: Binding assay glucosamine→?; validate in vitiligo cell model. Expected: similar to epinephrine (Jaccard=0.26) brompheniramine type_1_diabetes_mellitus GAP_HIGH 0.1193 0.25 cyclopentolate High-priority: Binding assay brompheniramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.25) podofilox restless_legs_syndrome GAP_HIGH 0.1193 0.25 acetazolamide High-priority: Binding assay podofilox→?; validate in restless_legs_syndrome cell model. Expected: similar to acetazolamide (Jaccard=0.25) sulfapyridine atopic_dermatitis GAP_HIGH 0.1193 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in atopic_dermatitis cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) sulfapyridine hypertension GAP_HIGH 0.1193 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in hypertension cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) raloxifene malaria GAP_HIGH 0.1193 0.2 caffeine High-priority: Binding assay raloxifene→?; validate in malaria cell model. Expected: similar to caffeine (Jaccard=0.20) topotecan kidney_cancer GAP_HIGH 0.1193 0.2 benzocaine High-priority: Binding assay topotecan→?; validate in kidney_cancer cell model. Expected: similar to benzocaine (Jaccard=0.20) thalidomide liver_cancer GAP_HIGH 0.1193 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in liver_cancer cell model. Expected: similar to olsalazine (Jaccard=0.19) phenmetrazine salivary_gland_cancer GAP_HIGH 0.1193 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.19) naloxone osteoarthritis GAP_HIGH 0.1193 0.18181818181818182 dexamethasone High-priority: Binding assay naloxone→?; validate in osteoarthritis cell model. Expected: similar to dexamethasone (Jaccard=0.18) tamsulosin uterine_cancer GAP_HIGH 0.1193 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) naloxone creutzfeldt-jakob_disease GAP_HIGH 0.1193 0.16666666666666666 heroin High-priority: Binding assay naloxone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to heroin (Jaccard=0.17) stanozolol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1193 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) phenylephrine mediastinal_cancer GAP_HIGH 0.1193 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.16) melatonin thyroid_cancer GAP_LOW 0.1193 0.14285714285714285 raloxifene Low-priority: Computational docking melatonin vs thyroid_cancer targets. Cross-check melatonin pharmacophore against thyroid_cancer pathway. floctafenine dilated_cardiomyopathy GAP_LOW 0.1193 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs dilated_cardiomyopathy targets. Cross-check floctafenine pharmacophore against dilated_cardiomyopathy pathway. azacitidine larynx_cancer GAP_LOW 0.1193 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs larynx_cancer targets. Cross-check azacitidine pharmacophore against larynx_cancer pathway. vapreotide vaginal_cancer GAP_LOW 0.1193 0.10526315789473684 vismodegib Low-priority: Computational docking vapreotide vs vaginal_cancer targets. Cross-check vapreotide pharmacophore against vaginal_cancer pathway. nilotinib hepatitis_b GAP_LOW 0.1193 0.10344827586206896 glucosamine Low-priority: Computational docking nilotinib vs hepatitis_b targets. Cross-check nilotinib pharmacophore against hepatitis_b pathway. felypressin obesity GAP_LOW 0.1193 0.1 clopidogrel Low-priority: Computational docking felypressin vs obesity targets. Cross-check felypressin pharmacophore against obesity pathway. moexipril azoospermia GAP_LOW 0.1193 0.1 trimipramine Low-priority: Computational docking moexipril vs azoospermia targets. Cross-check moexipril pharmacophore against azoospermia pathway. terlipressin obesity GAP_LOW 0.1193 0.1 clopidogrel Low-priority: Computational docking terlipressin vs obesity targets. Cross-check terlipressin pharmacophore against obesity pathway. prazepam malignant_mesothelioma GAP_LOW 0.1193 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs malignant_mesothelioma targets. Cross-check prazepam pharmacophore against malignant_mesothelioma pathway. tolbutamide glaucoma GAP_LOW 0.1193 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs glaucoma targets. Cross-check tolbutamide pharmacophore against glaucoma pathway. sulpiride thyroid_cancer GAP_LOW 0.1193 0.06666666666666667 procarbazine Low-priority: Computational docking sulpiride vs thyroid_cancer targets. Cross-check sulpiride pharmacophore against thyroid_cancer pathway. proparacaine alcohol_dependence GAP_LOW 0.1193 0.045454545454545456 levorphanol Low-priority: Computational docking proparacaine vs alcohol_dependence targets. Cross-check proparacaine pharmacophore against alcohol_dependence pathway. tauroursodeoxycholic_acid melanoma GAP_LOW 0.1193 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs melanoma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against melanoma pathway. spirapril kidney_cancer GAP_LOW 0.1193 0.018867924528301886 vandetanib Low-priority: Computational docking spirapril vs kidney_cancer targets. Cross-check spirapril pharmacophore against kidney_cancer pathway. clenbuterol membranous_glomerulonephritis GAP_LOW 0.1193 0.0 methdilazine Low-priority: Computational docking clenbuterol vs membranous_glomerulonephritis targets. Cross-check clenbuterol pharmacophore against membranous_glomerulonephritis pathway. penicillamine melanoma GAP_LOW 0.1193 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs melanoma targets. Cross-check penicillamine pharmacophore against melanoma pathway. talbutal membranous_glomerulonephritis GAP_LOW 0.1193 0.0 methdilazine Low-priority: Computational docking talbutal vs membranous_glomerulonephritis targets. Cross-check talbutal pharmacophore against membranous_glomerulonephritis pathway. thiamylal membranous_glomerulonephritis GAP_LOW 0.1193 0.0 methdilazine Low-priority: Computational docking thiamylal vs membranous_glomerulonephritis targets. Cross-check thiamylal pharmacophore against membranous_glomerulonephritis pathway. carbinoxamine membranous_glomerulonephritis GAP_HIGH 0.1192 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alimemazine (Jaccard=0.31) doxorubicin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1192 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to dexamethasone (Jaccard=0.29) doxorubicin thyroid_cancer GAP_HIGH 0.1192 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in thyroid_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) indecainide sarcoma GAP_HIGH 0.1192 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.29) clodronate endogenous_depression GAP_HIGH 0.1192 0.25 gabapentin High-priority: Binding assay clodronate→?; validate in endogenous_depression cell model. Expected: similar to gabapentin (Jaccard=0.25) glucosamine breast_cancer GAP_HIGH 0.1192 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) glucosamine colon_cancer GAP_HIGH 0.1192 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) loteprednol metabolic_syndrome_x GAP_HIGH 0.1192 0.25 eplerenone High-priority: Binding assay loteprednol→?; validate in metabolic_syndrome_x cell model. Expected: similar to eplerenone (Jaccard=0.25) flunarizine vaginal_cancer GAP_HIGH 0.1192 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in vaginal_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) flunarizine vulva_cancer GAP_HIGH 0.1192 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in vulva_cancer cell model. Expected: similar to meclizine (Jaccard=0.23) imatinib systemic_lupus_erythematosus GAP_HIGH 0.1192 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate pancreatitis GAP_HIGH 0.1192 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in pancreatitis cell model. Expected: similar to mirtazapine (Jaccard=0.20) topotecan nephrolithiasis GAP_HIGH 0.1192 0.2 benzocaine High-priority: Binding assay topotecan→?; validate in nephrolithiasis cell model. Expected: similar to benzocaine (Jaccard=0.20) topotecan refractive_error GAP_HIGH 0.1192 0.2 metaraminol High-priority: Binding assay topotecan→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) dapsone uterine_cancer GAP_HIGH 0.1192 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in uterine_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) ethylmorphine germ_cell_cancer GAP_HIGH 0.1192 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) practolol coronary_artery_disease GAP_HIGH 0.1192 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in coronary_artery_disease cell model. Expected: similar to midazolam (Jaccard=0.17) phenylephrine thymus_cancer GAP_HIGH 0.1192 0.15789473684210525 ethopropazine High-priority: Binding assay phenylephrine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.16) agomelatine uterine_cancer GAP_HIGH 0.1192 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in uterine_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) milnacipran pharynx_cancer GAP_HIGH 0.1192 0.15384615384615385 lacosamide High-priority: Binding assay milnacipran→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) fenbufen pharynx_cancer GAP_LOW 0.1192 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs pharynx_cancer targets. Cross-check fenbufen pharmacophore against pharynx_cancer pathway. stanozolol membranous_glomerulonephritis GAP_LOW 0.1192 0.14285714285714285 bumetanide Low-priority: Computational docking stanozolol vs membranous_glomerulonephritis targets. Cross-check stanozolol pharmacophore against membranous_glomerulonephritis pathway. calcitriol germ_cell_cancer GAP_LOW 0.1192 0.125 loteprednol Low-priority: Computational docking calcitriol vs germ_cell_cancer targets. Cross-check calcitriol pharmacophore against germ_cell_cancer pathway. dobutamine gilles_de_la_tourette_syndrome GAP_LOW 0.1192 0.125 tolterodine Low-priority: Computational docking dobutamine vs gilles_de_la_tourette_syndrome targets. Cross-check dobutamine pharmacophore against gilles_de_la_tourette_syndrome pathway. vitamin_a prostate_cancer GAP_LOW 0.1192 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs prostate_cancer targets. Cross-check vitamin_a pharmacophore against prostate_cancer pathway. codeine penile_cancer GAP_LOW 0.1192 0.12 phenylbutazone Low-priority: Computational docking codeine vs penile_cancer targets. Cross-check codeine pharmacophore against penile_cancer pathway. tamsulosin hepatitis_b GAP_LOW 0.1192 0.10714285714285714 nateglinide Low-priority: Computational docking tamsulosin vs hepatitis_b targets. Cross-check tamsulosin pharmacophore against hepatitis_b pathway. tolazamide breast_cancer GAP_LOW 0.1192 0.1 sotalol Low-priority: Computational docking tolazamide vs breast_cancer targets. Cross-check tolazamide pharmacophore against breast_cancer pathway. tropicamide head_and_neck_cancer GAP_LOW 0.1192 0.09090909090909091 fludrocortisone Low-priority: Computational docking tropicamide vs head_and_neck_cancer targets. Cross-check tropicamide pharmacophore against head_and_neck_cancer pathway. aminocaproic_acid lung_cancer GAP_LOW 0.1192 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs lung_cancer targets. Cross-check aminocaproic_acid pharmacophore against lung_cancer pathway. felypressin crohns_disease GAP_LOW 0.1192 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs crohns_disease targets. Cross-check felypressin pharmacophore against crohns_disease pathway. proparacaine acquired_immunodeficiency_syndrome GAP_LOW 0.1192 0.06666666666666667 emtricitabine Low-priority: Computational docking proparacaine vs acquired_immunodeficiency_syndrome targets. Cross-check proparacaine pharmacophore against acquired_immunodeficiency_syndrome pathway. l-asparagine crohns_disease GAP_LOW 0.1192 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs crohns_disease targets. Cross-check l-asparagine pharmacophore against crohns_disease pathway. acetylcysteine duodenum_cancer GAP_LOW 0.1192 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs duodenum_cancer targets. Cross-check acetylcysteine pharmacophore against duodenum_cancer pathway. acetylcysteine gallbladder_cancer GAP_LOW 0.1192 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs gallbladder_cancer targets. Cross-check acetylcysteine pharmacophore against gallbladder_cancer pathway. penicillamine duodenum_cancer GAP_LOW 0.1192 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs duodenum_cancer targets. Cross-check penicillamine pharmacophore against duodenum_cancer pathway. penicillamine gallbladder_cancer GAP_LOW 0.1192 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs gallbladder_cancer targets. Cross-check penicillamine pharmacophore against gallbladder_cancer pathway. doxepin hematologic_cancer GAP_HIGH 0.1191 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) estradiol pharynx_cancer GAP_HIGH 0.1191 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) norethindrone head_and_neck_cancer GAP_HIGH 0.1191 0.2857142857142857 cortisone_acetate High-priority: Binding assay norethindrone→?; validate in head_and_neck_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.29) methamphetamine uterine_cancer GAP_HIGH 0.1191 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) phenoxybenzamine meningioma GAP_HIGH 0.1191 0.23076923076923078 methadone High-priority: Binding assay phenoxybenzamine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.23) diethylpropion ovarian_cancer GAP_HIGH 0.1191 0.2222222222222222 fenoprofen High-priority: Binding assay diethylpropion→?; validate in ovarian_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.22) testosterone gout GAP_HIGH 0.1191 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in gout cell model. Expected: similar to drospirenone (Jaccard=0.22) testosterone primary_biliary_cirrhosis GAP_HIGH 0.1191 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drospirenone (Jaccard=0.22) l-tryptophan pancreatitis GAP_HIGH 0.1191 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in pancreatitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) lidocaine celiac_disease GAP_HIGH 0.1191 0.1875 sulfanilamide High-priority: Binding assay lidocaine→?; validate in celiac_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.19) anisotropine_methylbromide coronary_artery_disease GAP_HIGH 0.1191 0.16666666666666666 nalbuphine High-priority: Binding assay anisotropine_methylbromide→?; validate in coronary_artery_disease cell model. Expected: similar to nalbuphine (Jaccard=0.17) pomalidomide mediastinal_cancer GAP_HIGH 0.1191 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in mediastinal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) pomalidomide primary_biliary_cirrhosis GAP_HIGH 0.1191 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to olsalazine (Jaccard=0.17) aprindine alcohol_dependence GAP_LOW 0.1191 0.14285714285714285 dextromethorphan Low-priority: Computational docking aprindine vs alcohol_dependence targets. Cross-check aprindine pharmacophore against alcohol_dependence pathway. desogestrel larynx_cancer GAP_LOW 0.1191 0.125 methimazole Low-priority: Computational docking desogestrel vs larynx_cancer targets. Cross-check desogestrel pharmacophore against larynx_cancer pathway. naloxone type_1_diabetes_mellitus GAP_LOW 0.1191 0.125 gliclazide Low-priority: Computational docking naloxone vs type_1_diabetes_mellitus targets. Cross-check naloxone pharmacophore against type_1_diabetes_mellitus pathway. ethynodiol alcohol_dependence GAP_LOW 0.1191 0.1111111111111111 levorphanol Low-priority: Computational docking ethynodiol vs alcohol_dependence targets. Cross-check ethynodiol pharmacophore against alcohol_dependence pathway. midodrine conduct_disorder GAP_LOW 0.1191 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs conduct_disorder targets. Cross-check midodrine pharmacophore against conduct_disorder pathway. quinacrine peripheral_nervous_system_neoplasm GAP_LOW 0.1191 0.1 phenylbutazone Low-priority: Computational docking quinacrine vs peripheral_nervous_system_neoplasm targets. Cross-check quinacrine pharmacophore against peripheral_nervous_system_neoplasm pathway. testosterone alcohol_dependence GAP_LOW 0.1191 0.1 levorphanol Low-priority: Computational docking testosterone vs alcohol_dependence targets. Cross-check testosterone pharmacophore against alcohol_dependence pathway. crizotinib leprosy GAP_LOW 0.1191 0.06666666666666667 menadione Low-priority: Computational docking crizotinib vs leprosy targets. Cross-check crizotinib pharmacophore against leprosy pathway. imatinib bone_cancer GAP_LOW 0.1191 0.037037037037037035 histamine_phosphate Low-priority: Computational docking imatinib vs bone_cancer targets. Cross-check imatinib pharmacophore against bone_cancer pathway. olanzapine leprosy GAP_LOW 0.1191 0.023255813953488372 phensuximide Low-priority: Computational docking olanzapine vs leprosy targets. Cross-check olanzapine pharmacophore against leprosy pathway. quinapril kidney_cancer GAP_LOW 0.1191 0.018518518518518517 vandetanib Low-priority: Computational docking quinapril vs kidney_cancer targets. Cross-check quinapril pharmacophore against kidney_cancer pathway. drospirenone hypothyroidism GAP_LOW 0.1191 0.0 methimazole Low-priority: Computational docking drospirenone vs hypothyroidism targets. Cross-check drospirenone pharmacophore against hypothyroidism pathway. dydrogesterone hypothyroidism GAP_LOW 0.1191 0.0 methimazole Low-priority: Computational docking dydrogesterone vs hypothyroidism targets. Cross-check dydrogesterone pharmacophore against hypothyroidism pathway. methyldopa hypothyroidism GAP_LOW 0.1191 0.0 methimazole Low-priority: Computational docking methyldopa vs hypothyroidism targets. Cross-check methyldopa pharmacophore against hypothyroidism pathway. testosterone_propionate hypothyroidism GAP_LOW 0.1191 0.0 methimazole Low-priority: Computational docking testosterone_propionate vs hypothyroidism targets. Cross-check testosterone_propionate pharmacophore against hypothyroidism pathway. salsalate ocular_cancer GAP_HIGH 0.119 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) alimemazine primary_biliary_cirrhosis GAP_HIGH 0.119 0.3333333333333333 tamoxifen High-priority: Binding assay alimemazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.33) norethindrone metabolic_syndrome_x GAP_HIGH 0.119 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in metabolic_syndrome_x cell model. Expected: similar to dydrogesterone (Jaccard=0.33) erlotinib germ_cell_cancer GAP_HIGH 0.119 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in germ_cell_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) methamphetamine sarcoma GAP_HIGH 0.119 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.27) oxaprozin atherosclerosis GAP_HIGH 0.119 0.25806451612903225 flurbiprofen High-priority: Binding assay oxaprozin→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.26) glucosamine ulcerative_colitis GAP_HIGH 0.119 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.25) tolmetin polycystic_ovary_syndrome GAP_HIGH 0.119 0.24 bezafibrate High-priority: Binding assay tolmetin→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to bezafibrate (Jaccard=0.24) flunarizine rheumatoid_arthritis GAP_HIGH 0.119 0.23076923076923078 clotrimazole High-priority: Binding assay flunarizine→?; validate in rheumatoid_arthritis cell model. Expected: similar to clotrimazole (Jaccard=0.23) imatinib osteoarthritis GAP_HIGH 0.119 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.21) l-phenylalanine lung_cancer GAP_HIGH 0.119 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in lung_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) l-phenylalanine rectum_cancer GAP_HIGH 0.119 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) phenmetrazine ocular_cancer GAP_HIGH 0.119 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.19) dimetindene germ_cell_cancer GAP_HIGH 0.119 0.18181818181818182 tamoxifen High-priority: Binding assay dimetindene→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) isocarboxazid urinary_bladder_cancer GAP_HIGH 0.119 0.18181818181818182 lacosamide High-priority: Binding assay isocarboxazid→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.18) l-tryptophan azoospermia GAP_HIGH 0.119 0.18181818181818182 phentermine High-priority: Binding assay l-tryptophan→?; validate in azoospermia cell model. Expected: similar to phentermine (Jaccard=0.18) chlorthalidone sarcoma GAP_HIGH 0.119 0.17857142857142858 phenytoin High-priority: Binding assay chlorthalidone→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.18) deferasirox lung_cancer GAP_HIGH 0.119 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in lung_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) deferasirox rectum_cancer GAP_HIGH 0.119 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in rectum_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) pemetrexed panic_disorder GAP_HIGH 0.119 0.16666666666666666 pyrimethamine High-priority: Binding assay pemetrexed→?; validate in panic_disorder cell model. Expected: similar to pyrimethamine (Jaccard=0.17) pemetrexed schizophrenia GAP_HIGH 0.119 0.16666666666666666 pyrimethamine High-priority: Binding assay pemetrexed→?; validate in schizophrenia cell model. Expected: similar to pyrimethamine (Jaccard=0.17) pomalidomide gout GAP_HIGH 0.119 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in gout cell model. Expected: similar to olsalazine (Jaccard=0.17) pomalidomide thymus_cancer GAP_HIGH 0.119 0.16666666666666666 doxorubicin High-priority: Binding assay pomalidomide→?; validate in thymus_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) stanozolol panic_disorder GAP_HIGH 0.119 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in panic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) ergocalciferol melanoma GAP_LOW 0.119 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs melanoma targets. Cross-check ergocalciferol pharmacophore against melanoma pathway. etidronic_acid chronic_obstructive_pulmonary_disease GAP_LOW 0.119 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs chronic_obstructive_pulmonary_disease targets. Cross-check etidronic_acid pharmacophore against chronic_obstructive_pulmonary_disease pathway. pirbuterol azoospermia GAP_LOW 0.119 0.14285714285714285 indecainide Low-priority: Computational docking pirbuterol vs azoospermia targets. Cross-check pirbuterol pharmacophore against azoospermia pathway. ritodrine creutzfeldt-jakob_disease GAP_LOW 0.119 0.14285714285714285 l-dopa Low-priority: Computational docking ritodrine vs creutzfeldt-jakob_disease targets. Cross-check ritodrine pharmacophore against creutzfeldt-jakob_disease pathway. gliclazide pharynx_cancer GAP_LOW 0.119 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs pharynx_cancer targets. Cross-check gliclazide pharmacophore against pharynx_cancer pathway. vitamin_a mediastinal_cancer GAP_LOW 0.119 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs mediastinal_cancer targets. Cross-check vitamin_a pharmacophore against mediastinal_cancer pathway. tamsulosin gilles_de_la_tourette_syndrome GAP_LOW 0.119 0.12244897959183673 mazindol Low-priority: Computational docking tamsulosin vs gilles_de_la_tourette_syndrome targets. Cross-check tamsulosin pharmacophore against gilles_de_la_tourette_syndrome pathway. calcitriol glaucoma GAP_LOW 0.119 0.1111111111111111 methacholine Low-priority: Computational docking calcitriol vs glaucoma targets. Cross-check calcitriol pharmacophore against glaucoma pathway. midodrine colon_cancer GAP_LOW 0.119 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs colon_cancer targets. Cross-check midodrine pharmacophore against colon_cancer pathway. dopamine intracranial_aneurysm GAP_LOW 0.119 0.1 dexamethasone Low-priority: Computational docking dopamine vs intracranial_aneurysm targets. Cross-check dopamine pharmacophore against intracranial_aneurysm pathway. aminocaproic_acid stomach_cancer GAP_LOW 0.119 0.09090909090909091 vorinostat Low-priority: Computational docking aminocaproic_acid vs stomach_cancer targets. Cross-check aminocaproic_acid pharmacophore against stomach_cancer pathway. mephentermine focal_segmental_glomerulosclerosis GAP_LOW 0.119 0.09090909090909091 moricizine Low-priority: Computational docking mephentermine vs focal_segmental_glomerulosclerosis targets. Cross-check mephentermine pharmacophore against focal_segmental_glomerulosclerosis pathway. diazepam leprosy GAP_LOW 0.119 0.08695652173913043 phensuximide Low-priority: Computational docking diazepam vs leprosy targets. Cross-check diazepam pharmacophore against leprosy pathway. moexipril focal_segmental_glomerulosclerosis GAP_LOW 0.119 0.08333333333333333 trifluoperazine Low-priority: Computational docking moexipril vs focal_segmental_glomerulosclerosis targets. Cross-check moexipril pharmacophore against focal_segmental_glomerulosclerosis pathway. l-asparagine creutzfeldt-jakob_disease GAP_LOW 0.119 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs creutzfeldt-jakob_disease targets. Cross-check l-asparagine pharmacophore against creutzfeldt-jakob_disease pathway. tolbutamide malaria GAP_LOW 0.119 0.06666666666666667 pentobarbital Low-priority: Computational docking tolbutamide vs malaria targets. Cross-check tolbutamide pharmacophore against malaria pathway. conivaptan osteoporosis GAP_LOW 0.119 0.05555555555555555 ribavirin Low-priority: Computational docking conivaptan vs osteoporosis targets. Cross-check conivaptan pharmacophore against osteoporosis pathway. trifluridine atherosclerosis GAP_LOW 0.119 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking trifluridine vs atherosclerosis targets. Cross-check trifluridine pharmacophore against atherosclerosis pathway. aminocaproic_acid larynx_cancer GAP_LOW 0.119 0.041666666666666664 epirubicin Low-priority: Computational docking aminocaproic_acid vs larynx_cancer targets. Cross-check aminocaproic_acid pharmacophore against larynx_cancer pathway. amphetamine acquired_immunodeficiency_syndrome GAP_LOW 0.119 0.0 mitiglinide Low-priority: Computational docking amphetamine vs acquired_immunodeficiency_syndrome targets. Cross-check amphetamine pharmacophore against acquired_immunodeficiency_syndrome pathway. benzocaine leprosy GAP_LOW 0.119 0.0 sulfapyridine Low-priority: Computational docking benzocaine vs leprosy targets. Cross-check benzocaine pharmacophore against leprosy pathway. dobutamine leprosy GAP_LOW 0.119 0.0 sulfapyridine Low-priority: Computational docking dobutamine vs leprosy targets. Cross-check dobutamine pharmacophore against leprosy pathway. l-asparagine acquired_immunodeficiency_syndrome GAP_LOW 0.119 0.0 mitiglinide Low-priority: Computational docking l-asparagine vs acquired_immunodeficiency_syndrome targets. Cross-check l-asparagine pharmacophore against acquired_immunodeficiency_syndrome pathway. l-aspartic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.119 0.0 mitiglinide Low-priority: Computational docking l-aspartic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check l-aspartic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. l-ornithine acquired_immunodeficiency_syndrome GAP_LOW 0.119 0.0 mitiglinide Low-priority: Computational docking l-ornithine vs acquired_immunodeficiency_syndrome targets. Cross-check l-ornithine pharmacophore against acquired_immunodeficiency_syndrome pathway. linaclotide acquired_immunodeficiency_syndrome GAP_LOW 0.119 0.0 mitiglinide Low-priority: Computational docking linaclotide vs acquired_immunodeficiency_syndrome targets. Cross-check linaclotide pharmacophore against acquired_immunodeficiency_syndrome pathway. mephentermine leprosy GAP_LOW 0.119 0.0 sulfapyridine Low-priority: Computational docking mephentermine vs leprosy targets. Cross-check mephentermine pharmacophore against leprosy pathway. methohexital germ_cell_cancer GAP_LOW 0.119 0.0 hydrocortisone Low-priority: Computational docking methohexital vs germ_cell_cancer targets. Cross-check methohexital pharmacophore against germ_cell_cancer pathway. nelarabine leprosy GAP_LOW 0.119 0.0 sulfapyridine Low-priority: Computational docking nelarabine vs leprosy targets. Cross-check nelarabine pharmacophore against leprosy pathway. phenobarbital germ_cell_cancer GAP_LOW 0.119 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs germ_cell_cancer targets. Cross-check phenobarbital pharmacophore against germ_cell_cancer pathway. quazepam germ_cell_cancer GAP_LOW 0.119 0.0 hydrocortisone Low-priority: Computational docking quazepam vs germ_cell_cancer targets. Cross-check quazepam pharmacophore against germ_cell_cancer pathway. tenofovir leprosy GAP_LOW 0.119 0.0 sulfapyridine Low-priority: Computational docking tenofovir vs leprosy targets. Cross-check tenofovir pharmacophore against leprosy pathway. tetracycline germ_cell_cancer GAP_LOW 0.119 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs germ_cell_cancer targets. Cross-check tetracycline pharmacophore against germ_cell_cancer pathway. thiamylal germ_cell_cancer GAP_LOW 0.119 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs germ_cell_cancer targets. Cross-check thiamylal pharmacophore against germ_cell_cancer pathway. promazine salivary_gland_cancer GAP_HIGH 0.1189 0.41379310344827586 methadone High-priority: Binding assay promazine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.41) mazindol systemic_lupus_erythematosus GAP_HIGH 0.1189 0.36585365853658536 chlorprothixene High-priority: Binding assay mazindol→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to chlorprothixene (Jaccard=0.37) norethindrone skin_cancer GAP_HIGH 0.1189 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in skin_cancer cell model. Expected: similar to dydrogesterone (Jaccard=0.33) phensuximide urinary_bladder_cancer GAP_HIGH 0.1189 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) oxaprozin kidney_cancer GAP_HIGH 0.1189 0.30434782608695654 quinacrine High-priority: Binding assay oxaprozin→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.30) ethinyl_estradiol malignant_mesothelioma GAP_HIGH 0.1189 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in malignant_mesothelioma cell model. Expected: similar to hydrocortisone (Jaccard=0.29) aprindine thyroid_cancer GAP_HIGH 0.1189 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.26) suprofen prostate_cancer GAP_HIGH 0.1189 0.2571428571428571 fenoprofen High-priority: Binding assay suprofen→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.26) glucosamine ovarian_cancer GAP_HIGH 0.1189 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.25) etoricoxib acquired_immunodeficiency_syndrome GAP_HIGH 0.1189 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.22) phenindamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1189 0.2222222222222222 atomoxetine High-priority: Binding assay phenindamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.22) testosterone coronary_artery_disease GAP_HIGH 0.1189 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in coronary_artery_disease cell model. Expected: similar to drospirenone (Jaccard=0.22) l-phenylalanine liver_cancer GAP_HIGH 0.1189 0.2 cyclopentolate High-priority: Binding assay l-phenylalanine→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) olanzapine coronary_artery_disease GAP_HIGH 0.1189 0.2 zuclopenthixol High-priority: Binding assay olanzapine→?; validate in coronary_artery_disease cell model. Expected: similar to zuclopenthixol (Jaccard=0.20) olanzapine hematologic_cancer GAP_HIGH 0.1189 0.2 zuclopenthixol High-priority: Binding assay olanzapine→?; validate in hematologic_cancer cell model. Expected: similar to zuclopenthixol (Jaccard=0.20) probenecid malignant_mesothelioma GAP_HIGH 0.1189 0.2 warfarin High-priority: Binding assay probenecid→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.20) selegiline pharynx_cancer GAP_HIGH 0.1189 0.2 topotecan High-priority: Binding assay selegiline→?; validate in pharynx_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) alendronate azoospermia GAP_HIGH 0.1189 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in azoospermia cell model. Expected: similar to trifluoperazine (Jaccard=0.18) chlorphenesin head_and_neck_cancer GAP_HIGH 0.1189 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in head_and_neck_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) deferasirox liver_cancer GAP_HIGH 0.1189 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in liver_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) imipramine esophageal_cancer GAP_HIGH 0.1189 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) ospemifene meningioma GAP_HIGH 0.1189 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in meningioma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) stanozolol conduct_disorder GAP_HIGH 0.1189 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in conduct_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) diclofenac atherosclerosis GAP_HIGH 0.1189 0.16129032258064516 flurbiprofen High-priority: Binding assay diclofenac→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.16) ergocalciferol duodenum_cancer GAP_LOW 0.1189 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs duodenum_cancer targets. Cross-check ergocalciferol pharmacophore against duodenum_cancer pathway. ergocalciferol gallbladder_cancer GAP_LOW 0.1189 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs gallbladder_cancer targets. Cross-check ergocalciferol pharmacophore against gallbladder_cancer pathway. methyclothiazide coronary_artery_disease GAP_LOW 0.1189 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs coronary_artery_disease targets. Cross-check methyclothiazide pharmacophore against coronary_artery_disease pathway. nabumetone pancreatitis GAP_LOW 0.1189 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs pancreatitis targets. Cross-check nabumetone pharmacophore against pancreatitis pathway. vitamin_a primary_biliary_cirrhosis GAP_LOW 0.1189 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs primary_biliary_cirrhosis targets. Cross-check vitamin_a pharmacophore against primary_biliary_cirrhosis pathway. chlorpropamide intracranial_aneurysm GAP_LOW 0.1189 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs intracranial_aneurysm targets. Cross-check chlorpropamide pharmacophore against intracranial_aneurysm pathway. ephedrine malignant_glioma GAP_LOW 0.1189 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs malignant_glioma targets. Cross-check ephedrine pharmacophore against malignant_glioma pathway. mephentermine gilles_de_la_tourette_syndrome GAP_LOW 0.1189 0.09090909090909091 moricizine Low-priority: Computational docking mephentermine vs gilles_de_la_tourette_syndrome targets. Cross-check mephentermine pharmacophore against gilles_de_la_tourette_syndrome pathway. amodiaquine primary_biliary_cirrhosis GAP_LOW 0.1189 0.05405405405405406 bezafibrate Low-priority: Computational docking amodiaquine vs primary_biliary_cirrhosis targets. Cross-check amodiaquine pharmacophore against primary_biliary_cirrhosis pathway. quinacrine type_1_diabetes_mellitus GAP_LOW 0.1189 0.05405405405405406 bezafibrate Low-priority: Computational docking quinacrine vs type_1_diabetes_mellitus targets. Cross-check quinacrine pharmacophore against type_1_diabetes_mellitus pathway. antazoline pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking antazoline vs pagets_disease_of_bone targets. Cross-check antazoline pharmacophore against pagets_disease_of_bone pathway. candesartan larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking candesartan vs larynx_cancer targets. Cross-check candesartan pharmacophore against larynx_cancer pathway. carboprost_tromethamine malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking carboprost_tromethamine vs malaria targets. Cross-check carboprost_tromethamine pharmacophore against malaria pathway. cinnarizine pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking cinnarizine vs pagets_disease_of_bone targets. Cross-check cinnarizine pharmacophore against pagets_disease_of_bone pathway. conivaptan malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking conivaptan vs malaria targets. Cross-check conivaptan pharmacophore against malaria pathway. dextropropoxyphene larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking dextropropoxyphene vs larynx_cancer targets. Cross-check dextropropoxyphene pharmacophore against larynx_cancer pathway. dihomo-gamma-linolenic_acid creutzfeldt-jakob_disease GAP_LOW 0.1189 0.0 loxapine Low-priority: Computational docking dihomo-gamma-linolenic_acid vs creutzfeldt-jakob_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against creutzfeldt-jakob_disease pathway. dinoprost_tromethamine malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking dinoprost_tromethamine vs malaria targets. Cross-check dinoprost_tromethamine pharmacophore against malaria pathway. dinoprostone malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking dinoprostone vs malaria targets. Cross-check dinoprostone pharmacophore against malaria pathway. diphenidol pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking diphenidol vs pagets_disease_of_bone targets. Cross-check diphenidol pharmacophore against pagets_disease_of_bone pathway. epoprostenol malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking epoprostenol vs malaria targets. Cross-check epoprostenol pharmacophore against malaria pathway. eprosartan malaria GAP_LOW 0.1189 0.0 ethotoin Low-priority: Computational docking eprosartan vs malaria targets. Cross-check eprosartan pharmacophore against malaria pathway. flurbiprofen pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking flurbiprofen vs pagets_disease_of_bone targets. Cross-check flurbiprofen pharmacophore against pagets_disease_of_bone pathway. labetalol larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking labetalol vs larynx_cancer targets. Cross-check labetalol pharmacophore against larynx_cancer pathway. lubiprostone creutzfeldt-jakob_disease GAP_LOW 0.1189 0.0 loxapine Low-priority: Computational docking lubiprostone vs creutzfeldt-jakob_disease targets. Cross-check lubiprostone pharmacophore against creutzfeldt-jakob_disease pathway. mannitol larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking mannitol vs larynx_cancer targets. Cross-check mannitol pharmacophore against larynx_cancer pathway. nicardipine larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking nicardipine vs larynx_cancer targets. Cross-check nicardipine pharmacophore against larynx_cancer pathway. nilvadipine larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking nilvadipine vs larynx_cancer targets. Cross-check nilvadipine pharmacophore against larynx_cancer pathway. olmesartan larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking olmesartan vs larynx_cancer targets. Cross-check olmesartan pharmacophore against larynx_cancer pathway. phensuximide pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking phensuximide vs pagets_disease_of_bone targets. Cross-check phensuximide pharmacophore against pagets_disease_of_bone pathway. pravastatin larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking pravastatin vs larynx_cancer targets. Cross-check pravastatin pharmacophore against larynx_cancer pathway. solifenacin larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking solifenacin vs larynx_cancer targets. Cross-check solifenacin pharmacophore against larynx_cancer pathway. tauroursodeoxycholic_acid larynx_cancer GAP_LOW 0.1189 0.0 vinblastine Low-priority: Computational docking tauroursodeoxycholic_acid vs larynx_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against larynx_cancer pathway. teniposide pagets_disease_of_bone GAP_LOW 0.1189 0.0 ibandronate Low-priority: Computational docking teniposide vs pagets_disease_of_bone targets. Cross-check teniposide pharmacophore against pagets_disease_of_bone pathway. valsartan glaucoma GAP_LOW 0.1189 0.0 pirbuterol Low-priority: Computational docking valsartan vs glaucoma targets. Cross-check valsartan pharmacophore against glaucoma pathway. etoricoxib metabolic_syndrome_x GAP_HIGH 0.1188 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in metabolic_syndrome_x cell model. Expected: similar to polythiazide (Jaccard=0.33) medrysone amyotrophic_lateral_sclerosis GAP_HIGH 0.1188 0.3181818181818182 fludrocortisone High-priority: Binding assay medrysone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.32) aceprometazine sarcoma GAP_HIGH 0.1188 0.25 tamoxifen High-priority: Binding assay aceprometazine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.25) podofilox psoriatic_arthritis GAP_HIGH 0.1188 0.25 nitroglycerin High-priority: Binding assay podofilox→?; validate in psoriatic_arthritis cell model. Expected: similar to nitroglycerin (Jaccard=0.25) dextroamphetamine sclerosing_cholangitis GAP_HIGH 0.1188 0.24 phenacemide High-priority: Binding assay dextroamphetamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.24) testosterone ankylosing_spondylitis GAP_HIGH 0.1188 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in ankylosing_spondylitis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) flunarizine uterine_fibroid GAP_HIGH 0.1188 0.22727272727272727 meclizine High-priority: Binding assay flunarizine→?; validate in uterine_fibroid cell model. Expected: similar to meclizine (Jaccard=0.23) lidocaine creutzfeldt-jakob_disease GAP_HIGH 0.1188 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.21) l-tryptophan lung_cancer GAP_HIGH 0.1188 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in lung_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) l-tryptophan rectum_cancer GAP_HIGH 0.1188 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in rectum_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) chlorphenesin kidney_cancer GAP_HIGH 0.1188 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in kidney_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) conjugated_estrogens pharynx_cancer GAP_HIGH 0.1188 0.16666666666666666 loteprednol High-priority: Binding assay conjugated_estrogens→?; validate in pharynx_cancer cell model. Expected: similar to loteprednol (Jaccard=0.17) danazol head_and_neck_cancer GAP_HIGH 0.1188 0.16666666666666666 dexamethasone High-priority: Binding assay danazol→?; validate in head_and_neck_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.17) naloxone ankylosing_spondylitis GAP_HIGH 0.1188 0.16666666666666666 sorafenib High-priority: Binding assay naloxone→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.17) stanozolol bipolar_disorder GAP_HIGH 0.1188 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in bipolar_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) isocarboxazid chronic_kidney_failure GAP_HIGH 0.1188 0.15384615384615385 tiaprofenic_acid High-priority: Binding assay isocarboxazid→?; validate in chronic_kidney_failure cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.15) levonorgestrel larynx_cancer GAP_LOW 0.1188 0.14285714285714285 methimazole Low-priority: Computational docking levonorgestrel vs larynx_cancer targets. Cross-check levonorgestrel pharmacophore against larynx_cancer pathway. tolazoline germ_cell_cancer GAP_LOW 0.1188 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs germ_cell_cancer targets. Cross-check tolazoline pharmacophore against germ_cell_cancer pathway. tretinoin membranous_glomerulonephritis GAP_LOW 0.1188 0.14285714285714285 adefovir_dipivoxil Low-priority: Computational docking tretinoin vs membranous_glomerulonephritis targets. Cross-check tretinoin pharmacophore against membranous_glomerulonephritis pathway. antipyrine idiopathic_pulmonary_fibrosis GAP_LOW 0.1188 0.13636363636363635 ephedrine Low-priority: Computational docking antipyrine vs idiopathic_pulmonary_fibrosis targets. Cross-check antipyrine pharmacophore against idiopathic_pulmonary_fibrosis pathway. mepyramine malaria GAP_LOW 0.1188 0.13333333333333333 warfarin Low-priority: Computational docking mepyramine vs malaria targets. Cross-check mepyramine pharmacophore against malaria pathway. l-citrulline ulcerative_colitis GAP_LOW 0.1188 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs ulcerative_colitis targets. Cross-check l-citrulline pharmacophore against ulcerative_colitis pathway. vitamin_a thymus_cancer GAP_LOW 0.1188 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs thymus_cancer targets. Cross-check vitamin_a pharmacophore against thymus_cancer pathway. sulfapyridine gestational_diabetes GAP_LOW 0.1188 0.11538461538461539 glisoxepide Low-priority: Computational docking sulfapyridine vs gestational_diabetes targets. Cross-check sulfapyridine pharmacophore against gestational_diabetes pathway. lapatinib alcohol_dependence GAP_LOW 0.1188 0.1111111111111111 naloxone Low-priority: Computational docking lapatinib vs alcohol_dependence targets. Cross-check lapatinib pharmacophore against alcohol_dependence pathway. midodrine uterine_cancer GAP_LOW 0.1188 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs uterine_cancer targets. Cross-check midodrine pharmacophore against uterine_cancer pathway. crizotinib gestational_diabetes GAP_LOW 0.1188 0.10526315789473684 gliclazide Low-priority: Computational docking crizotinib vs gestational_diabetes targets. Cross-check crizotinib pharmacophore against gestational_diabetes pathway. adinazolam malaria GAP_LOW 0.1188 0.09523809523809523 phensuximide Low-priority: Computational docking adinazolam vs malaria targets. Cross-check adinazolam pharmacophore against malaria pathway. alendronate leprosy GAP_LOW 0.1188 0.08333333333333333 sulfamethizole Low-priority: Computational docking alendronate vs leprosy targets. Cross-check alendronate pharmacophore against leprosy pathway. terlipressin prostate_cancer GAP_LOW 0.1188 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs prostate_cancer targets. Cross-check terlipressin pharmacophore against prostate_cancer pathway. methocarbamol penile_cancer GAP_LOW 0.1188 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs penile_cancer targets. Cross-check methocarbamol pharmacophore against penile_cancer pathway. benzthiazide type_1_diabetes_mellitus GAP_LOW 0.1188 0.041666666666666664 sulfapyridine Low-priority: Computational docking benzthiazide vs type_1_diabetes_mellitus targets. Cross-check benzthiazide pharmacophore against type_1_diabetes_mellitus pathway. cilazapril kidney_cancer GAP_LOW 0.1188 0.018867924528301886 vandetanib Low-priority: Computational docking cilazapril vs kidney_cancer targets. Cross-check cilazapril pharmacophore against kidney_cancer pathway. aminosalicylic_acid hypothyroidism GAP_LOW 0.1188 0.0 methimazole Low-priority: Computational docking aminosalicylic_acid vs hypothyroidism targets. Cross-check aminosalicylic_acid pharmacophore against hypothyroidism pathway. droxidopa hypothyroidism GAP_LOW 0.1188 0.0 methimazole Low-priority: Computational docking droxidopa vs hypothyroidism targets. Cross-check droxidopa pharmacophore against hypothyroidism pathway. ifenprodil hypothyroidism GAP_LOW 0.1188 0.0 methimazole Low-priority: Computational docking ifenprodil vs hypothyroidism targets. Cross-check ifenprodil pharmacophore against hypothyroidism pathway. flurbiprofen germ_cell_cancer GAP_HIGH 0.1187 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in germ_cell_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) doxorubicin muscle_cancer GAP_HIGH 0.1187 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in muscle_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) indecainide testicular_cancer GAP_HIGH 0.1187 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in testicular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) prednisolone hypertension GAP_HIGH 0.1187 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in hypertension cell model. Expected: similar to amcinonide (Jaccard=0.29) fludiazepam melanoma GAP_HIGH 0.1187 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) levorphanol skin_cancer GAP_HIGH 0.1187 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in skin_cancer cell model. Expected: similar to exemestane (Jaccard=0.28) sulfapyridine metabolic_syndrome_x GAP_HIGH 0.1187 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in metabolic_syndrome_x cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) alendronate alzheimers_disease GAP_HIGH 0.1187 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in alzheimers_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate autistic_disorder GAP_HIGH 0.1187 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in autistic_disorder cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate nicotine_dependence GAP_HIGH 0.1187 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in nicotine_dependence cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate parkinsons_disease GAP_HIGH 0.1187 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in parkinsons_disease cell model. Expected: similar to mirtazapine (Jaccard=0.20) medroxyprogesterone_acetate epilepsy_syndrome GAP_HIGH 0.1187 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in epilepsy_syndrome cell model. Expected: similar to bifonazole (Jaccard=0.20) phenformin thyroid_cancer GAP_HIGH 0.1187 0.2 liothyronine High-priority: Binding assay phenformin→?; validate in thyroid_cancer cell model. Expected: similar to liothyronine (Jaccard=0.20) selegiline thyroid_cancer GAP_HIGH 0.1187 0.2 topotecan High-priority: Binding assay selegiline→?; validate in thyroid_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) thalidomide asthma GAP_HIGH 0.1187 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.19) alendronate membranous_glomerulonephritis GAP_HIGH 0.1187 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.18) tamsulosin vulva_cancer GAP_HIGH 0.1187 0.17391304347826086 etoricoxib High-priority: Binding assay tamsulosin→?; validate in vulva_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) chlorphenesin nephrolithiasis GAP_HIGH 0.1187 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in nephrolithiasis cell model. Expected: similar to pantoprazole (Jaccard=0.17) deferasirox peripheral_nervous_system_neoplasm GAP_HIGH 0.1187 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to vismodegib (Jaccard=0.17) pamidronate focal_segmental_glomerulosclerosis GAP_HIGH 0.1187 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to trifluoperazine (Jaccard=0.17) prochlorperazine alcohol_dependence GAP_HIGH 0.1187 0.16666666666666666 temazepam High-priority: Binding assay prochlorperazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.17) stanozolol endogenous_depression GAP_HIGH 0.1187 0.16666666666666666 dextromethorphan High-priority: Binding assay stanozolol→?; validate in endogenous_depression cell model. Expected: similar to dextromethorphan (Jaccard=0.17) calcitriol lung_cancer GAP_LOW 0.1187 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs lung_cancer targets. Cross-check calcitriol pharmacophore against lung_cancer pathway. calcitriol rectum_cancer GAP_LOW 0.1187 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs rectum_cancer targets. Cross-check calcitriol pharmacophore against rectum_cancer pathway. gliclazide thyroid_cancer GAP_LOW 0.1187 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs thyroid_cancer targets. Cross-check gliclazide pharmacophore against thyroid_cancer pathway. halazepam vascular_cancer GAP_LOW 0.1187 0.11764705882352941 phenylbutazone Low-priority: Computational docking halazepam vs vascular_cancer targets. Cross-check halazepam pharmacophore against vascular_cancer pathway. ephedrine nephrolithiasis GAP_LOW 0.1187 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs nephrolithiasis targets. Cross-check ephedrine pharmacophore against nephrolithiasis pathway. hydrochlorothiazide crohns_disease GAP_LOW 0.1187 0.1111111111111111 dapsone Low-priority: Computational docking hydrochlorothiazide vs crohns_disease targets. Cross-check hydrochlorothiazide pharmacophore against crohns_disease pathway. midodrine ovarian_cancer GAP_LOW 0.1187 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs ovarian_cancer targets. Cross-check midodrine pharmacophore against ovarian_cancer pathway. proparacaine focal_segmental_glomerulosclerosis GAP_LOW 0.1187 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs focal_segmental_glomerulosclerosis targets. Cross-check proparacaine pharmacophore against focal_segmental_glomerulosclerosis pathway. felypressin polycystic_ovary_syndrome GAP_LOW 0.1187 0.1 clopidogrel Low-priority: Computational docking felypressin vs polycystic_ovary_syndrome targets. Cross-check felypressin pharmacophore against polycystic_ovary_syndrome pathway. terlipressin polycystic_ovary_syndrome GAP_LOW 0.1187 0.1 clopidogrel Low-priority: Computational docking terlipressin vs polycystic_ovary_syndrome targets. Cross-check terlipressin pharmacophore against polycystic_ovary_syndrome pathway. prazepam meningioma GAP_LOW 0.1187 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs meningioma targets. Cross-check prazepam pharmacophore against meningioma pathway. aminocaproic_acid duodenum_cancer GAP_LOW 0.1187 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs duodenum_cancer targets. Cross-check aminocaproic_acid pharmacophore against duodenum_cancer pathway. aminocaproic_acid gallbladder_cancer GAP_LOW 0.1187 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs gallbladder_cancer targets. Cross-check aminocaproic_acid pharmacophore against gallbladder_cancer pathway. treprostinil penile_cancer GAP_LOW 0.1187 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs penile_cancer targets. Cross-check treprostinil pharmacophore against penile_cancer pathway. felypressin chronic_kidney_failure GAP_LOW 0.1187 0.07142857142857142 ergocalciferol Low-priority: Computational docking felypressin vs chronic_kidney_failure targets. Cross-check felypressin pharmacophore against chronic_kidney_failure pathway. terlipressin chronic_kidney_failure GAP_LOW 0.1187 0.07142857142857142 ergocalciferol Low-priority: Computational docking terlipressin vs chronic_kidney_failure targets. Cross-check terlipressin pharmacophore against chronic_kidney_failure pathway. dopamine acquired_immunodeficiency_syndrome GAP_LOW 0.1187 0.045454545454545456 vidarabine Low-priority: Computational docking dopamine vs acquired_immunodeficiency_syndrome targets. Cross-check dopamine pharmacophore against acquired_immunodeficiency_syndrome pathway. valsartan brain_cancer GAP_LOW 0.1187 0.0 hydrocortisone Low-priority: Computational docking valsartan vs brain_cancer targets. Cross-check valsartan pharmacophore against brain_cancer pathway. valsartan intracranial_aneurysm GAP_LOW 0.1187 0.0 hydrocortisone Low-priority: Computational docking valsartan vs intracranial_aneurysm targets. Cross-check valsartan pharmacophore against intracranial_aneurysm pathway. promazine ocular_cancer GAP_HIGH 0.1186 0.41379310344827586 methadone High-priority: Binding assay promazine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.41) norethindrone obesity GAP_HIGH 0.1186 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in obesity cell model. Expected: similar to dydrogesterone (Jaccard=0.33) flurbiprofen prostate_cancer GAP_HIGH 0.1186 0.3235294117647059 azelastine High-priority: Binding assay flurbiprofen→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) doxorubicin lung_cancer GAP_HIGH 0.1186 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in lung_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) methamphetamine vaginal_cancer GAP_HIGH 0.1186 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) methamphetamine vulva_cancer GAP_HIGH 0.1186 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) loteprednol kidney_cancer GAP_HIGH 0.1186 0.21428571428571427 amcinonide High-priority: Binding assay loteprednol→?; validate in kidney_cancer cell model. Expected: similar to amcinonide (Jaccard=0.21) imatinib systemic_scleroderma GAP_HIGH 0.1186 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in systemic_scleroderma cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate amyotrophic_lateral_sclerosis GAP_HIGH 0.1186 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to mirtazapine (Jaccard=0.20) l-tryptophan liver_cancer GAP_HIGH 0.1186 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.20) thalidomide allergic_rhinitis GAP_HIGH 0.1186 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.19) l-tryptophan germ_cell_cancer GAP_HIGH 0.1186 0.18181818181818182 mesalazine High-priority: Binding assay l-tryptophan→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.18) testosterone esophageal_cancer GAP_HIGH 0.1186 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) dasatinib restless_legs_syndrome GAP_HIGH 0.1186 0.17391304347826086 acetylsalicylic_acid High-priority: Binding assay dasatinib→?; validate in restless_legs_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.17) acetophenazine alcohol_dependence GAP_HIGH 0.1186 0.16666666666666666 temazepam High-priority: Binding assay acetophenazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.17) dapsone testicular_cancer GAP_HIGH 0.1186 0.16666666666666666 etoricoxib High-priority: Binding assay dapsone→?; validate in testicular_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) pamidronate gilles_de_la_tourette_syndrome GAP_HIGH 0.1186 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to trifluoperazine (Jaccard=0.17) pimozide focal_segmental_glomerulosclerosis GAP_HIGH 0.1186 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to calcidiol (Jaccard=0.17) agomelatine vaginal_cancer GAP_HIGH 0.1186 0.15384615384615385 procarbazine High-priority: Binding assay agomelatine→?; validate in vaginal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.15) milnacipran salivary_gland_cancer GAP_HIGH 0.1186 0.15384615384615385 lacosamide High-priority: Binding assay milnacipran→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) ergocalciferol creutzfeldt-jakob_disease GAP_LOW 0.1186 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs creutzfeldt-jakob_disease targets. Cross-check ergocalciferol pharmacophore against creutzfeldt-jakob_disease pathway. ergocalciferol sclerosing_cholangitis GAP_LOW 0.1186 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs sclerosing_cholangitis targets. Cross-check ergocalciferol pharmacophore against sclerosing_cholangitis pathway. fenbufen salivary_gland_cancer GAP_LOW 0.1186 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs salivary_gland_cancer targets. Cross-check fenbufen pharmacophore against salivary_gland_cancer pathway. pralatrexate type_1_diabetes_mellitus GAP_LOW 0.1186 0.125 olsalazine Low-priority: Computational docking pralatrexate vs type_1_diabetes_mellitus targets. Cross-check pralatrexate pharmacophore against type_1_diabetes_mellitus pathway. zolpidem germ_cell_cancer GAP_LOW 0.1186 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs germ_cell_cancer targets. Cross-check zolpidem pharmacophore against germ_cell_cancer pathway. norepinephrine intracranial_aneurysm GAP_LOW 0.1186 0.1 progesterone Low-priority: Computational docking norepinephrine vs intracranial_aneurysm targets. Cross-check norepinephrine pharmacophore against intracranial_aneurysm pathway. vapreotide atopic_dermatitis GAP_LOW 0.1186 0.1 zafirlukast Low-priority: Computational docking vapreotide vs atopic_dermatitis targets. Cross-check vapreotide pharmacophore against atopic_dermatitis pathway. methocarbamol malignant_mesothelioma GAP_LOW 0.1186 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs malignant_mesothelioma targets. Cross-check methocarbamol pharmacophore against malignant_mesothelioma pathway. calcium_acetate melanoma GAP_LOW 0.1186 0.04 procaine Low-priority: Computational docking calcium_acetate vs melanoma targets. Cross-check calcium_acetate pharmacophore against melanoma pathway. diphemanil_methylsulfate hypothyroidism GAP_LOW 0.1186 0.0 methimazole Low-priority: Computational docking diphemanil_methylsulfate vs hypothyroidism targets. Cross-check diphemanil_methylsulfate pharmacophore against hypothyroidism pathway. clomipramine prostate_cancer GAP_HIGH 0.1185 0.39285714285714285 azelastine High-priority: Binding assay clomipramine→?; validate in prostate_cancer cell model. Expected: similar to azelastine (Jaccard=0.39) pheniramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1185 0.3684210526315789 benzatropine High-priority: Binding assay pheniramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to benzatropine (Jaccard=0.37) estradiol salivary_gland_cancer GAP_HIGH 0.1185 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) doxorubicin liver_cancer GAP_HIGH 0.1185 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in liver_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) indecainide vascular_cancer GAP_HIGH 0.1185 0.2857142857142857 reboxetine High-priority: Binding assay indecainide→?; validate in vascular_cancer cell model. Expected: similar to reboxetine (Jaccard=0.29) methamphetamine testicular_cancer GAP_HIGH 0.1185 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) loteprednol nephrolithiasis GAP_HIGH 0.1185 0.21428571428571427 amcinonide High-priority: Binding assay loteprednol→?; validate in nephrolithiasis cell model. Expected: similar to amcinonide (Jaccard=0.21) pimozide coronary_artery_disease GAP_HIGH 0.1185 0.2 lercanidipine High-priority: Binding assay pimozide→?; validate in coronary_artery_disease cell model. Expected: similar to lercanidipine (Jaccard=0.20) thalidomide pancreatic_cancer GAP_HIGH 0.1185 0.1875 olsalazine High-priority: Binding assay thalidomide→?; validate in pancreatic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.19) calcitriol liver_cancer GAP_LOW 0.1185 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs liver_cancer targets. Cross-check calcitriol pharmacophore against liver_cancer pathway. tretinoin germ_cell_cancer GAP_LOW 0.1185 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs germ_cell_cancer targets. Cross-check tretinoin pharmacophore against germ_cell_cancer pathway. sunitinib gestational_diabetes GAP_LOW 0.1185 0.13636363636363635 gliclazide Low-priority: Computational docking sunitinib vs gestational_diabetes targets. Cross-check sunitinib pharmacophore against gestational_diabetes pathway. buclizine leprosy GAP_LOW 0.1185 0.1111111111111111 sulfamethizole Low-priority: Computational docking buclizine vs leprosy targets. Cross-check buclizine pharmacophore against leprosy pathway. proparacaine gilles_de_la_tourette_syndrome GAP_LOW 0.1185 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs gilles_de_la_tourette_syndrome targets. Cross-check proparacaine pharmacophore against gilles_de_la_tourette_syndrome pathway. arformoterol type_1_diabetes_mellitus GAP_LOW 0.1185 0.10526315789473684 carbidopa Low-priority: Computational docking arformoterol vs type_1_diabetes_mellitus targets. Cross-check arformoterol pharmacophore against type_1_diabetes_mellitus pathway. felypressin rheumatoid_arthritis GAP_LOW 0.1185 0.1 clopidogrel Low-priority: Computational docking felypressin vs rheumatoid_arthritis targets. Cross-check felypressin pharmacophore against rheumatoid_arthritis pathway. terlipressin rheumatoid_arthritis GAP_LOW 0.1185 0.1 clopidogrel Low-priority: Computational docking terlipressin vs rheumatoid_arthritis targets. Cross-check terlipressin pharmacophore against rheumatoid_arthritis pathway. arformoterol malaria GAP_LOW 0.1185 0.08333333333333333 sulfamethizole Low-priority: Computational docking arformoterol vs malaria targets. Cross-check arformoterol pharmacophore against malaria pathway. felypressin gout GAP_LOW 0.1185 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs gout targets. Cross-check felypressin pharmacophore against gout pathway. terlipressin gout GAP_LOW 0.1185 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs gout targets. Cross-check terlipressin pharmacophore against gout pathway. abacavir bone_cancer GAP_LOW 0.1185 0.06666666666666667 tetrahydrofolic_acid Low-priority: Computational docking abacavir vs bone_cancer targets. Cross-check abacavir pharmacophore against bone_cancer pathway. conivaptan osteoarthritis GAP_LOW 0.1185 0.05555555555555555 ribavirin Low-priority: Computational docking conivaptan vs osteoarthritis targets. Cross-check conivaptan pharmacophore against osteoarthritis pathway. l-citrulline alopecia_areata GAP_LOW 0.1185 0.05357142857142857 dexamethasone Low-priority: Computational docking l-citrulline vs alopecia_areata targets. Cross-check l-citrulline pharmacophore against alopecia_areata pathway. vidarabine leprosy GAP_LOW 0.1185 0.047619047619047616 lenalidomide Low-priority: Computational docking vidarabine vs leprosy targets. Cross-check vidarabine pharmacophore against leprosy pathway. clonazepam bone_cancer GAP_LOW 0.1185 0.045454545454545456 alendronate Low-priority: Computational docking clonazepam vs bone_cancer targets. Cross-check clonazepam pharmacophore against bone_cancer pathway. l-asparagine alopecia_areata GAP_LOW 0.1185 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs alopecia_areata targets. Cross-check l-asparagine pharmacophore against alopecia_areata pathway. droxidopa autistic_disorder GAP_HIGH 0.1184 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) droxidopa nicotine_dependence GAP_HIGH 0.1184 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) etoricoxib obesity GAP_HIGH 0.1184 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in obesity cell model. Expected: similar to polythiazide (Jaccard=0.33) flurbiprofen refractive_error GAP_HIGH 0.1184 0.2962962962962963 atenolol High-priority: Binding assay flurbiprofen→?; validate in refractive_error cell model. Expected: similar to atenolol (Jaccard=0.30) prednisolone migraine GAP_HIGH 0.1184 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in migraine cell model. Expected: similar to amcinonide (Jaccard=0.29) azatadine pharynx_cancer GAP_HIGH 0.1184 0.2727272727272727 bimatoprost High-priority: Binding assay azatadine→?; validate in pharynx_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.27) methamphetamine vascular_cancer GAP_HIGH 0.1184 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.27) aprindine muscle_cancer GAP_HIGH 0.1184 0.2631578947368421 trimipramine High-priority: Binding assay aprindine→?; validate in muscle_cancer cell model. Expected: similar to trimipramine (Jaccard=0.26) ketorolac lung_cancer GAP_HIGH 0.1184 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.24) ketorolac rectum_cancer GAP_HIGH 0.1184 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.24) alendronate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1184 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to mirtazapine (Jaccard=0.20) l-tryptophan urinary_bladder_cancer GAP_HIGH 0.1184 0.2 methimazole High-priority: Binding assay l-tryptophan→?; validate in urinary_bladder_cancer cell model. Expected: similar to methimazole (Jaccard=0.20) glucosamine larynx_cancer GAP_HIGH 0.1184 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) bepotastine membranous_glomerulonephritis GAP_HIGH 0.1184 0.16666666666666666 perphenazine High-priority: Binding assay bepotastine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to perphenazine (Jaccard=0.17) flurazepam narcolepsy GAP_HIGH 0.1184 0.16666666666666666 chlordiazepoxide High-priority: Binding assay flurazepam→?; validate in narcolepsy cell model. Expected: similar to chlordiazepoxide (Jaccard=0.17) indomethacin osteoarthritis GAP_HIGH 0.1184 0.16666666666666666 melatonin High-priority: Binding assay indomethacin→?; validate in osteoarthritis cell model. Expected: similar to melatonin (Jaccard=0.17) hydromorphone kidney_cancer GAP_LOW 0.1184 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs kidney_cancer targets. Cross-check hydromorphone pharmacophore against kidney_cancer pathway. gliclazide salivary_gland_cancer GAP_LOW 0.1184 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs salivary_gland_cancer targets. Cross-check gliclazide pharmacophore against salivary_gland_cancer pathway. hydrochlorothiazide osteoporosis GAP_LOW 0.1184 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs osteoporosis targets. Cross-check hydrochlorothiazide pharmacophore against osteoporosis pathway. hydrochlorothiazide psoriasis GAP_LOW 0.1184 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs psoriasis targets. Cross-check hydrochlorothiazide pharmacophore against psoriasis pathway. hydrochlorothiazide ulcerative_colitis GAP_LOW 0.1184 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs ulcerative_colitis targets. Cross-check hydrochlorothiazide pharmacophore against ulcerative_colitis pathway. l-citrulline systemic_lupus_erythematosus GAP_LOW 0.1184 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs systemic_lupus_erythematosus targets. Cross-check l-citrulline pharmacophore against systemic_lupus_erythematosus pathway. nabumetone alzheimers_disease GAP_LOW 0.1184 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs alzheimers_disease targets. Cross-check nabumetone pharmacophore against alzheimers_disease pathway. nabumetone parkinsons_disease GAP_LOW 0.1184 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs parkinsons_disease targets. Cross-check nabumetone pharmacophore against parkinsons_disease pathway. ziprasidone larynx_cancer GAP_LOW 0.1184 0.125 alendronate Low-priority: Computational docking ziprasidone vs larynx_cancer targets. Cross-check ziprasidone pharmacophore against larynx_cancer pathway. codeine meningioma GAP_LOW 0.1184 0.12 phenylbutazone Low-priority: Computational docking codeine vs meningioma targets. Cross-check codeine pharmacophore against meningioma pathway. norepinephrine azoospermia GAP_LOW 0.1184 0.1111111111111111 ritodrine Low-priority: Computational docking norepinephrine vs azoospermia targets. Cross-check norepinephrine pharmacophore against azoospermia pathway. melatonin brain_cancer GAP_LOW 0.1184 0.1 megestrol_acetate Low-priority: Computational docking melatonin vs brain_cancer targets. Cross-check melatonin pharmacophore against brain_cancer pathway. melatonin intracranial_aneurysm GAP_LOW 0.1184 0.1 dexamethasone Low-priority: Computational docking melatonin vs intracranial_aneurysm targets. Cross-check melatonin pharmacophore against intracranial_aneurysm pathway. aminocaproic_acid sclerosing_cholangitis GAP_LOW 0.1184 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs sclerosing_cholangitis targets. Cross-check aminocaproic_acid pharmacophore against sclerosing_cholangitis pathway. latanoprost brain_cancer GAP_LOW 0.1184 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking latanoprost vs brain_cancer targets. Cross-check latanoprost pharmacophore against brain_cancer pathway. latanoprost intracranial_aneurysm GAP_LOW 0.1184 0.07142857142857142 prednicarbate Low-priority: Computational docking latanoprost vs intracranial_aneurysm targets. Cross-check latanoprost pharmacophore against intracranial_aneurysm pathway. l-asparagine chronic_obstructive_pulmonary_disease GAP_LOW 0.1184 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs chronic_obstructive_pulmonary_disease targets. Cross-check l-asparagine pharmacophore against chronic_obstructive_pulmonary_disease pathway. l-ornithine lung_cancer GAP_LOW 0.1184 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs lung_cancer targets. Cross-check l-ornithine pharmacophore against lung_cancer pathway. l-ornithine rectum_cancer GAP_LOW 0.1184 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs rectum_cancer targets. Cross-check l-ornithine pharmacophore against rectum_cancer pathway. nilotinib acquired_immunodeficiency_syndrome GAP_LOW 0.1184 0.0625 lisinopril Low-priority: Computational docking nilotinib vs acquired_immunodeficiency_syndrome targets. Cross-check nilotinib pharmacophore against acquired_immunodeficiency_syndrome pathway. atenolol alcohol_dependence GAP_LOW 0.1184 0.05263157894736842 levorphanol Low-priority: Computational docking atenolol vs alcohol_dependence targets. Cross-check atenolol pharmacophore against alcohol_dependence pathway. quinestrol glaucoma GAP_LOW 0.1184 0.05263157894736842 l-dopa Low-priority: Computational docking quinestrol vs glaucoma targets. Cross-check quinestrol pharmacophore against glaucoma pathway. dienestrol leprosy GAP_LOW 0.1184 0.022727272727272728 phensuximide Low-priority: Computational docking dienestrol vs leprosy targets. Cross-check dienestrol pharmacophore against leprosy pathway. tetracycline penile_cancer GAP_LOW 0.1184 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs penile_cancer targets. Cross-check tetracycline pharmacophore against penile_cancer pathway. thiamylal penile_cancer GAP_LOW 0.1184 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs penile_cancer targets. Cross-check thiamylal pharmacophore against penile_cancer pathway. amitriptyline malignant_mesothelioma GAP_HIGH 0.1183 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in malignant_mesothelioma cell model. Expected: similar to reboxetine (Jaccard=0.33) doxepin melanoma GAP_HIGH 0.1183 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.33) mazindol azoospermia GAP_HIGH 0.1183 0.3181818181818182 chlorpromazine High-priority: Binding assay mazindol→?; validate in azoospermia cell model. Expected: similar to chlorpromazine (Jaccard=0.32) pirenzepine malignant_mesothelioma GAP_HIGH 0.1183 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.30) doxorubicin peripheral_nervous_system_neoplasm GAP_HIGH 0.1183 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to dexamethasone (Jaccard=0.29) doxorubicin urinary_bladder_cancer GAP_HIGH 0.1183 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in urinary_bladder_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) dextroamphetamine ankylosing_spondylitis GAP_HIGH 0.1183 0.24 phenacemide High-priority: Binding assay dextroamphetamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.24) sulfapyridine obesity GAP_HIGH 0.1183 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in obesity cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) ketorolac liver_cancer GAP_HIGH 0.1183 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.24) dextroamphetamine primary_biliary_cirrhosis GAP_HIGH 0.1183 0.23076923076923078 mitiglinide High-priority: Binding assay dextroamphetamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.23) methamphetamine membranous_glomerulonephritis GAP_HIGH 0.1183 0.23076923076923078 mitiglinide High-priority: Binding assay methamphetamine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.23) atropine esophageal_cancer GAP_HIGH 0.1183 0.2 topotecan High-priority: Binding assay atropine→?; validate in esophageal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) clodronate focal_segmental_glomerulosclerosis GAP_HIGH 0.1183 0.2 metolazone High-priority: Binding assay clodronate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to metolazone (Jaccard=0.20) selegiline salivary_gland_cancer GAP_HIGH 0.1183 0.2 topotecan High-priority: Binding assay selegiline→?; validate in salivary_gland_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) alendronate esophageal_cancer GAP_HIGH 0.1183 0.16666666666666666 etoricoxib High-priority: Binding assay alendronate→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.17) milnacipran ocular_cancer GAP_HIGH 0.1183 0.15384615384615385 lacosamide High-priority: Binding assay milnacipran→?; validate in ocular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) calcitriol urinary_bladder_cancer GAP_LOW 0.1183 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs urinary_bladder_cancer targets. Cross-check calcitriol pharmacophore against urinary_bladder_cancer pathway. ergocalciferol pharynx_cancer GAP_LOW 0.1183 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs pharynx_cancer targets. Cross-check ergocalciferol pharmacophore against pharynx_cancer pathway. fenbufen ocular_cancer GAP_LOW 0.1183 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs ocular_cancer targets. Cross-check fenbufen pharmacophore against ocular_cancer pathway. gliclazide muscle_cancer GAP_LOW 0.1183 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs muscle_cancer targets. Cross-check gliclazide pharmacophore against muscle_cancer pathway. dipivefrin gilles_de_la_tourette_syndrome GAP_LOW 0.1183 0.125 tolterodine Low-priority: Computational docking dipivefrin vs gilles_de_la_tourette_syndrome targets. Cross-check dipivefrin pharmacophore against gilles_de_la_tourette_syndrome pathway. nabumetone autistic_disorder GAP_LOW 0.1183 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs autistic_disorder targets. Cross-check nabumetone pharmacophore against autistic_disorder pathway. nabumetone nicotine_dependence GAP_LOW 0.1183 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs nicotine_dependence targets. Cross-check nabumetone pharmacophore against nicotine_dependence pathway. pralatrexate glaucoma GAP_LOW 0.1183 0.125 olsalazine Low-priority: Computational docking pralatrexate vs glaucoma targets. Cross-check pralatrexate pharmacophore against glaucoma pathway. oxybuprocaine dilated_cardiomyopathy GAP_LOW 0.1183 0.12 drospirenone Low-priority: Computational docking oxybuprocaine vs dilated_cardiomyopathy targets. Cross-check oxybuprocaine pharmacophore against dilated_cardiomyopathy pathway. hydrochlorothiazide idiopathic_pulmonary_fibrosis GAP_LOW 0.1183 0.1111111111111111 ritodrine Low-priority: Computational docking hydrochlorothiazide vs idiopathic_pulmonary_fibrosis targets. Cross-check hydrochlorothiazide pharmacophore against idiopathic_pulmonary_fibrosis pathway. paricalcitol glaucoma GAP_LOW 0.1183 0.1111111111111111 methacholine Low-priority: Computational docking paricalcitol vs glaucoma targets. Cross-check paricalcitol pharmacophore against glaucoma pathway. sotalol dilated_cardiomyopathy GAP_LOW 0.1183 0.10526315789473684 trandolapril Low-priority: Computational docking sotalol vs dilated_cardiomyopathy targets. Cross-check sotalol pharmacophore against dilated_cardiomyopathy pathway. trifluridine epilepsy_syndrome GAP_LOW 0.1183 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs epilepsy_syndrome targets. Cross-check trifluridine pharmacophore against epilepsy_syndrome pathway. choline azoospermia GAP_LOW 0.1183 0.08333333333333333 methamphetamine Low-priority: Computational docking choline vs azoospermia targets. Cross-check choline pharmacophore against azoospermia pathway. felypressin coronary_artery_disease GAP_LOW 0.1183 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs coronary_artery_disease targets. Cross-check felypressin pharmacophore against coronary_artery_disease pathway. terlipressin coronary_artery_disease GAP_LOW 0.1183 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs coronary_artery_disease targets. Cross-check terlipressin pharmacophore against coronary_artery_disease pathway. nisoldipine primary_biliary_cirrhosis GAP_LOW 0.1183 0.06666666666666667 clocortolone Low-priority: Computational docking nisoldipine vs primary_biliary_cirrhosis targets. Cross-check nisoldipine pharmacophore against primary_biliary_cirrhosis pathway. l-asparagine coronary_artery_disease GAP_LOW 0.1183 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs coronary_artery_disease targets. Cross-check l-asparagine pharmacophore against coronary_artery_disease pathway. terlipressin alopecia_areata GAP_LOW 0.1183 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs alopecia_areata targets. Cross-check terlipressin pharmacophore against alopecia_areata pathway. glisoxepide prostate_cancer GAP_LOW 0.1183 0.04 trimipramine Low-priority: Computational docking glisoxepide vs prostate_cancer targets. Cross-check glisoxepide pharmacophore against prostate_cancer pathway. pravastatin creutzfeldt-jakob_disease GAP_LOW 0.1183 0.04 phenacemide Low-priority: Computational docking pravastatin vs creutzfeldt-jakob_disease targets. Cross-check pravastatin pharmacophore against creutzfeldt-jakob_disease pathway. loratadine lymphatic_system_cancer GAP_LOW 0.1183 0.0392156862745098 s-adenosylmethionine Low-priority: Computational docking loratadine vs lymphatic_system_cancer targets. Cross-check loratadine pharmacophore against lymphatic_system_cancer pathway. tauroursodeoxycholic_acid thyroid_cancer GAP_LOW 0.1183 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs thyroid_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against thyroid_cancer pathway. l-cysteine lymphatic_system_cancer GAP_LOW 0.1183 0.020833333333333332 adenosine_monophosphate Low-priority: Computational docking l-cysteine vs lymphatic_system_cancer targets. Cross-check l-cysteine pharmacophore against lymphatic_system_cancer pathway. azatadine pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking azatadine vs pagets_disease_of_bone targets. Cross-check azatadine pharmacophore against pagets_disease_of_bone pathway. beclomethasone hypothyroidism GAP_LOW 0.1183 0.0 methimazole Low-priority: Computational docking beclomethasone vs hypothyroidism targets. Cross-check beclomethasone pharmacophore against hypothyroidism pathway. benzphetamine pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking benzphetamine vs pagets_disease_of_bone targets. Cross-check benzphetamine pharmacophore against pagets_disease_of_bone pathway. ethinyl_estradiol pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking ethinyl_estradiol vs pagets_disease_of_bone targets. Cross-check ethinyl_estradiol pharmacophore against pagets_disease_of_bone pathway. fluocinonide hypothyroidism GAP_LOW 0.1183 0.0 methimazole Low-priority: Computational docking fluocinonide vs hypothyroidism targets. Cross-check fluocinonide pharmacophore against hypothyroidism pathway. l-serine pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking l-serine vs pagets_disease_of_bone targets. Cross-check l-serine pharmacophore against pagets_disease_of_bone pathway. salicylic_acid pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking salicylic_acid vs pagets_disease_of_bone targets. Cross-check salicylic_acid pharmacophore against pagets_disease_of_bone pathway. tolterodine pagets_disease_of_bone GAP_LOW 0.1183 0.0 ibandronate Low-priority: Computational docking tolterodine vs pagets_disease_of_bone targets. Cross-check tolterodine pharmacophore against pagets_disease_of_bone pathway. methyldopa azoospermia GAP_HIGH 0.1182 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) loxapine celiac_disease GAP_HIGH 0.1182 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) azelastine celiac_disease GAP_HIGH 0.1182 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) alendronate panic_disorder GAP_HIGH 0.1182 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in panic_disorder cell model. Expected: similar to mirtazapine (Jaccard=0.20) conjugated_estrogens salivary_gland_cancer GAP_HIGH 0.1182 0.16666666666666666 loteprednol High-priority: Binding assay conjugated_estrogens→?; validate in salivary_gland_cancer cell model. Expected: similar to loteprednol (Jaccard=0.17) deferasirox colon_cancer GAP_HIGH 0.1182 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in colon_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) imipramine type_1_diabetes_mellitus GAP_HIGH 0.1182 0.16666666666666666 lisinopril High-priority: Binding assay imipramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.17) ospemifene idiopathic_pulmonary_fibrosis GAP_HIGH 0.1182 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene prostate_cancer GAP_HIGH 0.1182 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in prostate_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) sorafenib alcohol_dependence GAP_HIGH 0.1182 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.17) sulfanilamide membranous_glomerulonephritis GAP_LOW 0.1182 0.14285714285714285 mitiglinide Low-priority: Computational docking sulfanilamide vs membranous_glomerulonephritis targets. Cross-check sulfanilamide pharmacophore against membranous_glomerulonephritis pathway. dimetindene atherosclerosis GAP_LOW 0.1182 0.13333333333333333 warfarin Low-priority: Computational docking dimetindene vs atherosclerosis targets. Cross-check dimetindene pharmacophore against atherosclerosis pathway. nabumetone urinary_bladder_cancer GAP_LOW 0.1182 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs urinary_bladder_cancer targets. Cross-check nabumetone pharmacophore against urinary_bladder_cancer pathway. methyclothiazide hepatitis_b GAP_LOW 0.1182 0.10526315789473684 nateglinide Low-priority: Computational docking methyclothiazide vs hepatitis_b targets. Cross-check methyclothiazide pharmacophore against hepatitis_b pathway. felypressin psoriatic_arthritis GAP_LOW 0.1182 0.1 clopidogrel Low-priority: Computational docking felypressin vs psoriatic_arthritis targets. Cross-check felypressin pharmacophore against psoriatic_arthritis pathway. terlipressin psoriatic_arthritis GAP_LOW 0.1182 0.1 clopidogrel Low-priority: Computational docking terlipressin vs psoriatic_arthritis targets. Cross-check terlipressin pharmacophore against psoriatic_arthritis pathway. aminocaproic_acid pancreatic_cancer GAP_LOW 0.1182 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs pancreatic_cancer targets. Cross-check aminocaproic_acid pharmacophore against pancreatic_cancer pathway. aminocaproic_acid ulcerative_colitis GAP_LOW 0.1182 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs ulcerative_colitis targets. Cross-check aminocaproic_acid pharmacophore against ulcerative_colitis pathway. tripelennamine gestational_diabetes GAP_LOW 0.1182 0.08333333333333333 tolbutamide Low-priority: Computational docking tripelennamine vs gestational_diabetes targets. Cross-check tripelennamine pharmacophore against gestational_diabetes pathway. streptozocin duodenum_cancer GAP_LOW 0.1182 0.07692307692307693 l-dopa Low-priority: Computational docking streptozocin vs duodenum_cancer targets. Cross-check streptozocin pharmacophore against duodenum_cancer pathway. streptozocin gallbladder_cancer GAP_LOW 0.1182 0.07692307692307693 l-dopa Low-priority: Computational docking streptozocin vs gallbladder_cancer targets. Cross-check streptozocin pharmacophore against gallbladder_cancer pathway. gliclazide hepatitis_b GAP_LOW 0.1182 0.07142857142857142 aciclovir Low-priority: Computational docking gliclazide vs hepatitis_b targets. Cross-check gliclazide pharmacophore against hepatitis_b pathway. l-ornithine liver_cancer GAP_LOW 0.1182 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs liver_cancer targets. Cross-check l-ornithine pharmacophore against liver_cancer pathway. floxuridine leprosy GAP_LOW 0.1182 0.05263157894736842 menadione Low-priority: Computational docking floxuridine vs leprosy targets. Cross-check floxuridine pharmacophore against leprosy pathway. l-aspartic_acid brain_cancer GAP_LOW 0.1182 0.043478260869565216 doxorubicin Low-priority: Computational docking l-aspartic_acid vs brain_cancer targets. Cross-check l-aspartic_acid pharmacophore against brain_cancer pathway. mepyramine leprosy GAP_LOW 0.1182 0.04 sulfapyridine Low-priority: Computational docking mepyramine vs leprosy targets. Cross-check mepyramine pharmacophore against leprosy pathway. tetracycline malignant_mesothelioma GAP_LOW 0.1182 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs malignant_mesothelioma targets. Cross-check tetracycline pharmacophore against malignant_mesothelioma pathway. norethindrone restless_legs_syndrome GAP_HIGH 0.1181 0.3333333333333333 dydrogesterone High-priority: Binding assay norethindrone→?; validate in restless_legs_syndrome cell model. Expected: similar to dydrogesterone (Jaccard=0.33) reboxetine rectum_cancer GAP_HIGH 0.1181 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in rectum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.33) tamoxifen gilles_de_la_tourette_syndrome GAP_HIGH 0.1181 0.3333333333333333 isopropamide High-priority: Binding assay tamoxifen→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.33) phensuximide sarcoma GAP_HIGH 0.1181 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.31) pirenzepine celiac_disease GAP_HIGH 0.1181 0.2857142857142857 chlorcyclizine High-priority: Binding assay pirenzepine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) prednisolone metabolic_syndrome_x GAP_HIGH 0.1181 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in metabolic_syndrome_x cell model. Expected: similar to amcinonide (Jaccard=0.29) methamphetamine uterine_fibroid GAP_HIGH 0.1181 0.26666666666666666 lacosamide High-priority: Binding assay methamphetamine→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.27) salicylic_acid azoospermia GAP_HIGH 0.1181 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in azoospermia cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) indecainide membranous_glomerulonephritis GAP_HIGH 0.1181 0.25 cinacalcet High-priority: Binding assay indecainide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cinacalcet (Jaccard=0.25) ketorolac peripheral_nervous_system_neoplasm GAP_HIGH 0.1181 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.24) testosterone melanoma GAP_HIGH 0.1181 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in melanoma cell model. Expected: similar to drospirenone (Jaccard=0.22) lidocaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1181 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine epilepsy_syndrome GAP_HIGH 0.1181 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in epilepsy_syndrome cell model. Expected: similar to tranylcypromine (Jaccard=0.21) imatinib vitiligo GAP_HIGH 0.1181 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in vitiligo cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate asthma GAP_HIGH 0.1181 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in asthma cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate atopic_dermatitis GAP_HIGH 0.1181 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in atopic_dermatitis cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate conduct_disorder GAP_HIGH 0.1181 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in conduct_disorder cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate schizophrenia GAP_HIGH 0.1181 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in schizophrenia cell model. Expected: similar to mirtazapine (Jaccard=0.20) epirubicin membranous_glomerulonephritis GAP_HIGH 0.1181 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to amsacrine (Jaccard=0.20) medroxyprogesterone_acetate alzheimers_disease GAP_HIGH 0.1181 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in alzheimers_disease cell model. Expected: similar to bifonazole (Jaccard=0.20) oxaprozin alcohol_dependence GAP_HIGH 0.1181 0.1951219512195122 mazindol High-priority: Binding assay oxaprozin→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.20) imipramine azoospermia GAP_HIGH 0.1181 0.18181818181818182 doxepin High-priority: Binding assay imipramine→?; validate in azoospermia cell model. Expected: similar to doxepin (Jaccard=0.18) phenprocoumon acquired_immunodeficiency_syndrome GAP_HIGH 0.1181 0.18181818181818182 alvimopan High-priority: Binding assay phenprocoumon→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.18) isocarboxazid mediastinal_cancer GAP_HIGH 0.1181 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in mediastinal_cancer cell model. Expected: similar to melphalan (Jaccard=0.17) mepenzolate refractive_error GAP_HIGH 0.1181 0.16666666666666666 metaraminol High-priority: Binding assay mepenzolate→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.17) practolol sclerosing_cholangitis GAP_HIGH 0.1181 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.17) ergocalciferol ankylosing_spondylitis GAP_LOW 0.1181 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs ankylosing_spondylitis targets. Cross-check ergocalciferol pharmacophore against ankylosing_spondylitis pathway. etonogestrel glaucoma GAP_LOW 0.1181 0.14285714285714285 choline Low-priority: Computational docking etonogestrel vs glaucoma targets. Cross-check etonogestrel pharmacophore against glaucoma pathway. gliclazide ocular_cancer GAP_LOW 0.1181 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs ocular_cancer targets. Cross-check gliclazide pharmacophore against ocular_cancer pathway. nabumetone attention_deficit_hyperactivity_disorder GAP_LOW 0.1181 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs attention_deficit_hyperactivity_disorder targets. Cross-check nabumetone pharmacophore against attention_deficit_hyperactivity_disorder pathway. midodrine testicular_cancer GAP_LOW 0.1181 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs testicular_cancer targets. Cross-check midodrine pharmacophore against testicular_cancer pathway. sulfamethizole acquired_immunodeficiency_syndrome GAP_LOW 0.1181 0.10526315789473684 nateglinide Low-priority: Computational docking sulfamethizole vs acquired_immunodeficiency_syndrome targets. Cross-check sulfamethizole pharmacophore against acquired_immunodeficiency_syndrome pathway. dasatinib hepatitis_b GAP_LOW 0.1181 0.1 glucosamine Low-priority: Computational docking dasatinib vs hepatitis_b targets. Cross-check dasatinib pharmacophore against hepatitis_b pathway. metolazone esophageal_cancer GAP_LOW 0.1181 0.09090909090909091 etoricoxib Low-priority: Computational docking metolazone vs esophageal_cancer targets. Cross-check metolazone pharmacophore against esophageal_cancer pathway. practolol gestational_diabetes GAP_LOW 0.1181 0.0625 glisoxepide Low-priority: Computational docking practolol vs gestational_diabetes targets. Cross-check practolol pharmacophore against gestational_diabetes pathway. amphetamine chronic_kidney_failure GAP_LOW 0.1181 0.05263157894736842 acetylsalicylic_acid Low-priority: Computational docking amphetamine vs chronic_kidney_failure targets. Cross-check amphetamine pharmacophore against chronic_kidney_failure pathway. ethotoin gestational_diabetes GAP_LOW 0.1181 0.05128205128205128 bezafibrate Low-priority: Computational docking ethotoin vs gestational_diabetes targets. Cross-check ethotoin pharmacophore against gestational_diabetes pathway. norepinephrine acquired_immunodeficiency_syndrome GAP_LOW 0.1181 0.043478260869565216 vidarabine Low-priority: Computational docking norepinephrine vs acquired_immunodeficiency_syndrome targets. Cross-check norepinephrine pharmacophore against acquired_immunodeficiency_syndrome pathway. doxepin sclerosing_cholangitis GAP_HIGH 0.118 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in sclerosing_cholangitis cell model. Expected: similar to reboxetine (Jaccard=0.33) reboxetine liver_cancer GAP_HIGH 0.118 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in liver_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.33) alendronate allergic_rhinitis GAP_HIGH 0.118 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in allergic_rhinitis cell model. Expected: similar to mirtazapine (Jaccard=0.20) alendronate bipolar_disorder GAP_HIGH 0.118 0.2 propantheline High-priority: Binding assay alendronate→?; validate in bipolar_disorder cell model. Expected: similar to propantheline (Jaccard=0.20) alendronate hypertension GAP_HIGH 0.118 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in hypertension cell model. Expected: similar to mirtazapine (Jaccard=0.20) arbutamine germ_cell_cancer GAP_HIGH 0.118 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) medroxyprogesterone_acetate amyotrophic_lateral_sclerosis GAP_HIGH 0.118 0.2 rasagiline High-priority: Binding assay medroxyprogesterone_acetate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.20) medroxyprogesterone_acetate autistic_disorder GAP_HIGH 0.118 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in autistic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) mepyramine primary_biliary_cirrhosis GAP_HIGH 0.118 0.18181818181818182 tamoxifen High-priority: Binding assay mepyramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.18) doxylamine pharynx_cancer GAP_HIGH 0.118 0.17647058823529413 phenylbutazone High-priority: Binding assay doxylamine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) isocarboxazid thymus_cancer GAP_HIGH 0.118 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in thymus_cancer cell model. Expected: similar to melphalan (Jaccard=0.17) naloxone alzheimers_disease GAP_HIGH 0.118 0.16666666666666666 heroin High-priority: Binding assay naloxone→?; validate in alzheimers_disease cell model. Expected: similar to heroin (Jaccard=0.17) naloxone parkinsons_disease GAP_HIGH 0.118 0.16666666666666666 heroin High-priority: Binding assay naloxone→?; validate in parkinsons_disease cell model. Expected: similar to heroin (Jaccard=0.17) ospemifene mediastinal_cancer GAP_HIGH 0.118 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in mediastinal_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pomalidomide duodenum_cancer GAP_HIGH 0.118 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in duodenum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) pomalidomide gallbladder_cancer GAP_HIGH 0.118 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in gallbladder_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) pomalidomide melanoma GAP_HIGH 0.118 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in melanoma cell model. Expected: similar to olsalazine (Jaccard=0.17) afatinib atherosclerosis GAP_HIGH 0.118 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) zafirlukast breast_cancer GAP_HIGH 0.118 0.15384615384615385 deferasirox High-priority: Binding assay zafirlukast→?; validate in breast_cancer cell model. Expected: similar to deferasirox (Jaccard=0.15) ergocalciferol thyroid_cancer GAP_LOW 0.118 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs thyroid_cancer targets. Cross-check ergocalciferol pharmacophore against thyroid_cancer pathway. fenbufen peripheral_nervous_system_neoplasm GAP_LOW 0.118 0.14285714285714285 phenylbutazone Low-priority: Computational docking fenbufen vs peripheral_nervous_system_neoplasm targets. Cross-check fenbufen pharmacophore against peripheral_nervous_system_neoplasm pathway. tolazoline malignant_mesothelioma GAP_LOW 0.118 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs malignant_mesothelioma targets. Cross-check tolazoline pharmacophore against malignant_mesothelioma pathway. tolazoline gilles_de_la_tourette_syndrome GAP_LOW 0.118 0.125 butenafine Low-priority: Computational docking tolazoline vs gilles_de_la_tourette_syndrome targets. Cross-check tolazoline pharmacophore against gilles_de_la_tourette_syndrome pathway. nilotinib glaucoma GAP_LOW 0.118 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs glaucoma targets. Cross-check nilotinib pharmacophore against glaucoma pathway. chlorpropamide head_and_neck_cancer GAP_LOW 0.118 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs head_and_neck_cancer targets. Cross-check chlorpropamide pharmacophore against head_and_neck_cancer pathway. chlorpropamide malignant_glioma GAP_LOW 0.118 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs malignant_glioma targets. Cross-check chlorpropamide pharmacophore against malignant_glioma pathway. zolpidem penile_cancer GAP_LOW 0.118 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs penile_cancer targets. Cross-check zolpidem pharmacophore against penile_cancer pathway. streptozocin autistic_disorder GAP_LOW 0.118 0.08333333333333333 flurazepam Low-priority: Computational docking streptozocin vs autistic_disorder targets. Cross-check streptozocin pharmacophore against autistic_disorder pathway. methocarbamol meningioma GAP_LOW 0.118 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs meningioma targets. Cross-check methocarbamol pharmacophore against meningioma pathway. l-ornithine urinary_bladder_cancer GAP_LOW 0.118 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs urinary_bladder_cancer targets. Cross-check l-ornithine pharmacophore against urinary_bladder_cancer pathway. cinchocaine dilated_cardiomyopathy GAP_LOW 0.118 0.05 milrinone Low-priority: Computational docking cinchocaine vs dilated_cardiomyopathy targets. Cross-check cinchocaine pharmacophore against dilated_cardiomyopathy pathway. clofibrate chronic_kidney_failure GAP_LOW 0.118 0.05 toremifene Low-priority: Computational docking clofibrate vs chronic_kidney_failure targets. Cross-check clofibrate pharmacophore against chronic_kidney_failure pathway. ephedrine acquired_immunodeficiency_syndrome GAP_LOW 0.118 0.05 nateglinide Low-priority: Computational docking ephedrine vs acquired_immunodeficiency_syndrome targets. Cross-check ephedrine pharmacophore against acquired_immunodeficiency_syndrome pathway. pravastatin pharynx_cancer GAP_LOW 0.118 0.04 phenacemide Low-priority: Computational docking pravastatin vs pharynx_cancer targets. Cross-check pravastatin pharmacophore against pharynx_cancer pathway. antipyrine bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking antipyrine vs bone_cancer targets. Cross-check antipyrine pharmacophore against bone_cancer pathway. chlorcyclizine hypothyroidism GAP_LOW 0.118 0.0 methimazole Low-priority: Computational docking chlorcyclizine vs hypothyroidism targets. Cross-check chlorcyclizine pharmacophore against hypothyroidism pathway. colchicine gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking colchicine vs gestational_diabetes targets. Cross-check colchicine pharmacophore against gestational_diabetes pathway. dyphylline bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking dyphylline vs bone_cancer targets. Cross-check dyphylline pharmacophore against bone_cancer pathway. dyphylline gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking dyphylline vs gestational_diabetes targets. Cross-check dyphylline pharmacophore against gestational_diabetes pathway. ethopropazine hypothyroidism GAP_LOW 0.118 0.0 methimazole Low-priority: Computational docking ethopropazine vs hypothyroidism targets. Cross-check ethopropazine pharmacophore against hypothyroidism pathway. fenbufen bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking fenbufen vs bone_cancer targets. Cross-check fenbufen pharmacophore against bone_cancer pathway. ketazolam bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking ketazolam vs bone_cancer targets. Cross-check ketazolam pharmacophore against bone_cancer pathway. ketazolam gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking ketazolam vs gestational_diabetes targets. Cross-check ketazolam pharmacophore against gestational_diabetes pathway. melatonin bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking melatonin vs bone_cancer targets. Cross-check melatonin pharmacophore against bone_cancer pathway. methsuximide bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking methsuximide vs bone_cancer targets. Cross-check methsuximide pharmacophore against bone_cancer pathway. midodrine bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking midodrine vs bone_cancer targets. Cross-check midodrine pharmacophore against bone_cancer pathway. midodrine gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking midodrine vs gestational_diabetes targets. Cross-check midodrine pharmacophore against gestational_diabetes pathway. moexipril gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking moexipril vs gestational_diabetes targets. Cross-check moexipril pharmacophore against gestational_diabetes pathway. polythiazide gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking polythiazide vs gestational_diabetes targets. Cross-check polythiazide pharmacophore against gestational_diabetes pathway. prazepam bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking prazepam vs bone_cancer targets. Cross-check prazepam pharmacophore against bone_cancer pathway. prazepam gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking prazepam vs gestational_diabetes targets. Cross-check prazepam pharmacophore against gestational_diabetes pathway. theophylline bone_cancer GAP_LOW 0.118 0.0 ibandronate Low-priority: Computational docking theophylline vs bone_cancer targets. Cross-check theophylline pharmacophore against bone_cancer pathway. theophylline gestational_diabetes GAP_LOW 0.118 0.0 tolazamide Low-priority: Computational docking theophylline vs gestational_diabetes targets. Cross-check theophylline pharmacophore against gestational_diabetes pathway. salsalate uterine_cancer GAP_HIGH 0.1179 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in uterine_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) droxidopa conduct_disorder GAP_HIGH 0.1179 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in conduct_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) levorphanol restless_legs_syndrome GAP_HIGH 0.1179 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in restless_legs_syndrome cell model. Expected: similar to exemestane (Jaccard=0.28) propiomazine esophageal_cancer GAP_HIGH 0.1179 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) imatinib rheumatoid_arthritis GAP_HIGH 0.1179 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in rheumatoid_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate endogenous_depression GAP_HIGH 0.1179 0.2 propantheline High-priority: Binding assay alendronate→?; validate in endogenous_depression cell model. Expected: similar to propantheline (Jaccard=0.20) aprindine hepatitis_b GAP_HIGH 0.1179 0.2 alvimopan High-priority: Binding assay aprindine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.20) diclofenac kidney_cancer GAP_HIGH 0.1179 0.2 aminoglutethimide High-priority: Binding assay diclofenac→?; validate in kidney_cancer cell model. Expected: similar to aminoglutethimide (Jaccard=0.20) l-tryptophan stomach_cancer GAP_HIGH 0.1179 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in stomach_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) mepenzolate pharynx_cancer GAP_HIGH 0.1179 0.1875 phenylbutazone High-priority: Binding assay mepenzolate→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) phenmetrazine uterine_cancer GAP_HIGH 0.1179 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.19) anisotropine_methylbromide creutzfeldt-jakob_disease GAP_HIGH 0.1179 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to heroin (Jaccard=0.17) deferasirox ovarian_cancer GAP_HIGH 0.1179 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in ovarian_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) naloxone amyotrophic_lateral_sclerosis GAP_HIGH 0.1179 0.16666666666666666 heroin High-priority: Binding assay naloxone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to heroin (Jaccard=0.17) ospemifene gout GAP_HIGH 0.1179 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in gout cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene primary_biliary_cirrhosis GAP_HIGH 0.1179 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene thymus_cancer GAP_HIGH 0.1179 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in thymus_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) calcitriol asthma GAP_LOW 0.1179 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs asthma targets. Cross-check calcitriol pharmacophore against asthma pathway. tretinoin penile_cancer GAP_LOW 0.1179 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs penile_cancer targets. Cross-check tretinoin pharmacophore against penile_cancer pathway. hydrochlorothiazide osteoarthritis GAP_LOW 0.1179 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs osteoarthritis targets. Cross-check hydrochlorothiazide pharmacophore against osteoarthritis pathway. vitamin_a melanoma GAP_LOW 0.1179 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs melanoma targets. Cross-check vitamin_a pharmacophore against melanoma pathway. ceruletide pharynx_cancer GAP_LOW 0.1179 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs pharynx_cancer targets. Cross-check ceruletide pharmacophore against pharynx_cancer pathway. regadenoson larynx_cancer GAP_LOW 0.1179 0.1 methotrexate Low-priority: Computational docking regadenoson vs larynx_cancer targets. Cross-check regadenoson pharmacophore against larynx_cancer pathway. desmopressin atherosclerosis GAP_LOW 0.1179 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs atherosclerosis targets. Cross-check desmopressin pharmacophore against atherosclerosis pathway. sulfanilamide dilated_cardiomyopathy GAP_LOW 0.1179 0.05 rimexolone Low-priority: Computational docking sulfanilamide vs dilated_cardiomyopathy targets. Cross-check sulfanilamide pharmacophore against dilated_cardiomyopathy pathway. tauroursodeoxycholic_acid muscle_cancer GAP_LOW 0.1179 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs muscle_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against muscle_cancer pathway. acepromazine skin_cancer GAP_HIGH 0.1178 0.375 doxepin High-priority: Binding assay acepromazine→?; validate in skin_cancer cell model. Expected: similar to doxepin (Jaccard=0.38) etoricoxib type_2_diabetes_mellitus GAP_HIGH 0.1178 0.3333333333333333 polythiazide High-priority: Binding assay etoricoxib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to polythiazide (Jaccard=0.33) nateglinide membranous_glomerulonephritis GAP_HIGH 0.1178 0.3333333333333333 mitiglinide High-priority: Binding assay nateglinide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.33) reboxetine peripheral_nervous_system_neoplasm GAP_HIGH 0.1178 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to cyclopentolate (Jaccard=0.33) salsalate membranous_glomerulonephritis GAP_HIGH 0.1178 0.3157894736842105 mefenamic_acid High-priority: Binding assay salsalate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mefenamic_acid (Jaccard=0.32) flurbiprofen malignant_mesothelioma GAP_HIGH 0.1178 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.31) dexamethasone brain_cancer GAP_HIGH 0.1178 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.29) doxorubicin stomach_cancer GAP_HIGH 0.1178 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in stomach_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) azatadine salivary_gland_cancer GAP_HIGH 0.1178 0.2727272727272727 bimatoprost High-priority: Binding assay azatadine→?; validate in salivary_gland_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.27) diazepam celiac_disease GAP_HIGH 0.1178 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) paclitaxel lung_cancer GAP_HIGH 0.1178 0.25 danazol High-priority: Binding assay paclitaxel→?; validate in lung_cancer cell model. Expected: similar to danazol (Jaccard=0.25) amoxapine celiac_disease GAP_HIGH 0.1178 0.21052631578947367 chlorcyclizine High-priority: Binding assay amoxapine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.21) alendronate multiple_sclerosis GAP_HIGH 0.1178 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in multiple_sclerosis cell model. Expected: similar to mirtazapine (Jaccard=0.20) atropine focal_segmental_glomerulosclerosis GAP_HIGH 0.1178 0.2 acetophenazine High-priority: Binding assay atropine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to acetophenazine (Jaccard=0.20) l-tryptophan pancreatic_cancer GAP_HIGH 0.1178 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in pancreatic_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) l-tryptophan ulcerative_colitis GAP_HIGH 0.1178 0.2 aminosalicylic_acid High-priority: Binding assay l-tryptophan→?; validate in ulcerative_colitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.20) medroxyprogesterone_acetate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1178 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) calcitriol breast_cancer GAP_LOW 0.1178 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs breast_cancer targets. Cross-check calcitriol pharmacophore against breast_cancer pathway. calcitriol colon_cancer GAP_LOW 0.1178 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs colon_cancer targets. Cross-check calcitriol pharmacophore against colon_cancer pathway. calcitriol stomach_cancer GAP_LOW 0.1178 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs stomach_cancer targets. Cross-check calcitriol pharmacophore against stomach_cancer pathway. lenalidomide azoospermia GAP_LOW 0.1178 0.14285714285714285 ospemifene Low-priority: Computational docking lenalidomide vs azoospermia targets. Cross-check lenalidomide pharmacophore against azoospermia pathway. gliclazide urinary_bladder_cancer GAP_LOW 0.1178 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs urinary_bladder_cancer targets. Cross-check gliclazide pharmacophore against urinary_bladder_cancer pathway. atenolol kidney_cancer GAP_LOW 0.1178 0.13333333333333333 tolazamide Low-priority: Computational docking atenolol vs kidney_cancer targets. Cross-check atenolol pharmacophore against kidney_cancer pathway. dexamethasone leprosy GAP_LOW 0.1178 0.13333333333333333 pomalidomide Low-priority: Computational docking dexamethasone vs leprosy targets. Cross-check dexamethasone pharmacophore against leprosy pathway. calcitriol meningioma GAP_LOW 0.1178 0.125 loteprednol Low-priority: Computational docking calcitriol vs meningioma targets. Cross-check calcitriol pharmacophore against meningioma pathway. l-citrulline systemic_scleroderma GAP_LOW 0.1178 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs systemic_scleroderma targets. Cross-check l-citrulline pharmacophore against systemic_scleroderma pathway. nabumetone conduct_disorder GAP_LOW 0.1178 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs conduct_disorder targets. Cross-check nabumetone pharmacophore against conduct_disorder pathway. nabumetone panic_disorder GAP_LOW 0.1178 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs panic_disorder targets. Cross-check nabumetone pharmacophore against panic_disorder pathway. vitamin_a duodenum_cancer GAP_LOW 0.1178 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs duodenum_cancer targets. Cross-check vitamin_a pharmacophore against duodenum_cancer pathway. vitamin_a gallbladder_cancer GAP_LOW 0.1178 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs gallbladder_cancer targets. Cross-check vitamin_a pharmacophore against gallbladder_cancer pathway. hydrochlorothiazide narcolepsy GAP_LOW 0.1178 0.1111111111111111 ritodrine Low-priority: Computational docking hydrochlorothiazide vs narcolepsy targets. Cross-check hydrochlorothiazide pharmacophore against narcolepsy pathway. zolpidem kidney_cancer GAP_LOW 0.1178 0.1 sulfamethizole Low-priority: Computational docking zolpidem vs kidney_cancer targets. Cross-check zolpidem pharmacophore against kidney_cancer pathway. prazepam mediastinal_cancer GAP_LOW 0.1178 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs mediastinal_cancer targets. Cross-check prazepam pharmacophore against mediastinal_cancer pathway. aminocaproic_acid systemic_lupus_erythematosus GAP_LOW 0.1178 0.08823529411764706 trimipramine Low-priority: Computational docking aminocaproic_acid vs systemic_lupus_erythematosus targets. Cross-check aminocaproic_acid pharmacophore against systemic_lupus_erythematosus pathway. l-asparagine ocular_cancer GAP_LOW 0.1178 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs ocular_cancer targets. Cross-check l-asparagine pharmacophore against ocular_cancer pathway. aminocaproic_acid esophageal_cancer GAP_LOW 0.1178 0.045454545454545456 topotecan Low-priority: Computational docking aminocaproic_acid vs esophageal_cancer targets. Cross-check aminocaproic_acid pharmacophore against esophageal_cancer pathway. adenosine_triphosphate leprosy GAP_LOW 0.1178 0.043478260869565216 phensuximide Low-priority: Computational docking adenosine_triphosphate vs leprosy targets. Cross-check adenosine_triphosphate pharmacophore against leprosy pathway. meclizine pagets_disease_of_bone GAP_LOW 0.1178 0.041666666666666664 clodronate Low-priority: Computational docking meclizine vs pagets_disease_of_bone targets. Cross-check meclizine pharmacophore against pagets_disease_of_bone pathway. candesartan alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking candesartan vs alopecia_areata targets. Cross-check candesartan pharmacophore against alopecia_areata pathway. clocortolone hypothyroidism GAP_LOW 0.1178 0.0 methimazole Low-priority: Computational docking clocortolone vs hypothyroidism targets. Cross-check clocortolone pharmacophore against hypothyroidism pathway. dextropropoxyphene alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs alopecia_areata targets. Cross-check dextropropoxyphene pharmacophore against alopecia_areata pathway. difluprednate hypothyroidism GAP_LOW 0.1178 0.0 methimazole Low-priority: Computational docking difluprednate vs hypothyroidism targets. Cross-check difluprednate pharmacophore against hypothyroidism pathway. glimepiride alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking glimepiride vs alopecia_areata targets. Cross-check glimepiride pharmacophore against alopecia_areata pathway. glipizide alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking glipizide vs alopecia_areata targets. Cross-check glipizide pharmacophore against alopecia_areata pathway. labetalol alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking labetalol vs alopecia_areata targets. Cross-check labetalol pharmacophore against alopecia_areata pathway. mannitol alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking mannitol vs alopecia_areata targets. Cross-check mannitol pharmacophore against alopecia_areata pathway. nicardipine alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs alopecia_areata targets. Cross-check nicardipine pharmacophore against alopecia_areata pathway. nilvadipine alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs alopecia_areata targets. Cross-check nilvadipine pharmacophore against alopecia_areata pathway. olmesartan alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs alopecia_areata targets. Cross-check olmesartan pharmacophore against alopecia_areata pathway. phenylbutazone hypothyroidism GAP_LOW 0.1178 0.0 methimazole Low-priority: Computational docking phenylbutazone vs hypothyroidism targets. Cross-check phenylbutazone pharmacophore against hypothyroidism pathway. pravastatin alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs alopecia_areata targets. Cross-check pravastatin pharmacophore against alopecia_areata pathway. ranolazine alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking ranolazine vs alopecia_areata targets. Cross-check ranolazine pharmacophore against alopecia_areata pathway. solifenacin alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking solifenacin vs alopecia_areata targets. Cross-check solifenacin pharmacophore against alopecia_areata pathway. tauroursodeoxycholic_acid alopecia_areata GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs alopecia_areata targets. Cross-check tauroursodeoxycholic_acid pharmacophore against alopecia_areata pathway. valsartan head_and_neck_cancer GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking valsartan vs head_and_neck_cancer targets. Cross-check valsartan pharmacophore against head_and_neck_cancer pathway. valsartan malignant_glioma GAP_LOW 0.1178 0.0 hydrocortisone Low-priority: Computational docking valsartan vs malignant_glioma targets. Cross-check valsartan pharmacophore against malignant_glioma pathway. droxidopa bipolar_disorder GAP_HIGH 0.1177 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in bipolar_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) warfarin celiac_disease GAP_HIGH 0.1177 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in celiac_disease cell model. Expected: similar to modafinil (Jaccard=0.33) phensuximide skin_cancer GAP_HIGH 0.1177 0.30612244897959184 phenytoin High-priority: Binding assay phensuximide→?; validate in skin_cancer cell model. Expected: similar to phenytoin (Jaccard=0.31) doxorubicin pancreatic_cancer GAP_HIGH 0.1177 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in pancreatic_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) prednisolone obesity GAP_HIGH 0.1177 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in obesity cell model. Expected: similar to amcinonide (Jaccard=0.29) fludiazepam thyroid_cancer GAP_HIGH 0.1177 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) levorphanol vitiligo GAP_HIGH 0.1177 0.2777777777777778 exemestane High-priority: Binding assay levorphanol→?; validate in vitiligo cell model. Expected: similar to exemestane (Jaccard=0.28) sulfapyridine polycystic_ovary_syndrome GAP_HIGH 0.1177 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) sulfapyridine type_2_diabetes_mellitus GAP_HIGH 0.1177 0.23809523809523808 salicylate-sodium High-priority: Binding assay sulfapyridine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salicylate-sodium (Jaccard=0.24) testosterone sclerosing_cholangitis GAP_HIGH 0.1177 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in sclerosing_cholangitis cell model. Expected: similar to drospirenone (Jaccard=0.22) imatinib psoriatic_arthritis GAP_HIGH 0.1177 0.20588235294117646 sorafenib High-priority: Binding assay imatinib→?; validate in psoriatic_arthritis cell model. Expected: similar to sorafenib (Jaccard=0.21) alendronate migraine GAP_HIGH 0.1177 0.2 propantheline High-priority: Binding assay alendronate→?; validate in migraine cell model. Expected: similar to propantheline (Jaccard=0.20) l-tryptophan psoriasis GAP_HIGH 0.1177 0.2 isoprenaline High-priority: Binding assay l-tryptophan→?; validate in psoriasis cell model. Expected: similar to isoprenaline (Jaccard=0.20) selegiline urinary_bladder_cancer GAP_HIGH 0.1177 0.2 topotecan High-priority: Binding assay selegiline→?; validate in urinary_bladder_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) topotecan azoospermia GAP_HIGH 0.1177 0.2 atropine High-priority: Binding assay topotecan→?; validate in azoospermia cell model. Expected: similar to atropine (Jaccard=0.20) alvimopan type_1_diabetes_mellitus GAP_HIGH 0.1177 0.18181818181818182 lisinopril High-priority: Binding assay alvimopan→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.18) l-tryptophan malignant_mesothelioma GAP_HIGH 0.1177 0.18181818181818182 mesalazine High-priority: Binding assay l-tryptophan→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.18) ospemifene hematologic_cancer GAP_HIGH 0.1177 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in hematologic_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) deferasirox idiopathic_pulmonary_fibrosis GAP_HIGH 0.1177 0.15384615384615385 zafirlukast High-priority: Binding assay deferasirox→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.15) calcitriol pancreatic_cancer GAP_LOW 0.1177 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs pancreatic_cancer targets. Cross-check calcitriol pharmacophore against pancreatic_cancer pathway. doxylamine glaucoma GAP_LOW 0.1177 0.14285714285714285 metaraminol Low-priority: Computational docking doxylamine vs glaucoma targets. Cross-check doxylamine pharmacophore against glaucoma pathway. ergocalciferol pancreatitis GAP_LOW 0.1177 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs pancreatitis targets. Cross-check ergocalciferol pharmacophore against pancreatitis pathway. ergocalciferol salivary_gland_cancer GAP_LOW 0.1177 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs salivary_gland_cancer targets. Cross-check ergocalciferol pharmacophore against salivary_gland_cancer pathway. etidronic_acid asthma GAP_LOW 0.1177 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs asthma targets. Cross-check etidronic_acid pharmacophore against asthma pathway. etidronic_acid atopic_dermatitis GAP_LOW 0.1177 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs atopic_dermatitis targets. Cross-check etidronic_acid pharmacophore against atopic_dermatitis pathway. ponatinib coronary_artery_disease GAP_LOW 0.1177 0.14285714285714285 nateglinide Low-priority: Computational docking ponatinib vs coronary_artery_disease targets. Cross-check ponatinib pharmacophore against coronary_artery_disease pathway. tretinoin malignant_mesothelioma GAP_LOW 0.1177 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs malignant_mesothelioma targets. Cross-check tretinoin pharmacophore against malignant_mesothelioma pathway. agomelatine malignant_mesothelioma GAP_LOW 0.1177 0.125 diphemanil_methylsulfate Low-priority: Computational docking agomelatine vs malignant_mesothelioma targets. Cross-check agomelatine pharmacophore against malignant_mesothelioma pathway. nabumetone breast_cancer GAP_LOW 0.1177 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs breast_cancer targets. Cross-check nabumetone pharmacophore against breast_cancer pathway. nabumetone colon_cancer GAP_LOW 0.1177 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs colon_cancer targets. Cross-check nabumetone pharmacophore against colon_cancer pathway. nabumetone hypertension GAP_LOW 0.1177 0.125 alfuzosin Low-priority: Computational docking nabumetone vs hypertension targets. Cross-check nabumetone pharmacophore against hypertension pathway. codeine germ_cell_cancer GAP_LOW 0.1177 0.1111111111111111 tamoxifen Low-priority: Computational docking codeine vs germ_cell_cancer targets. Cross-check codeine pharmacophore against germ_cell_cancer pathway. conjugated_estrogens larynx_cancer GAP_LOW 0.1177 0.1111111111111111 cabazitaxel Low-priority: Computational docking conjugated_estrogens vs larynx_cancer targets. Cross-check conjugated_estrogens pharmacophore against larynx_cancer pathway. ceruletide ankylosing_spondylitis GAP_LOW 0.1177 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs ankylosing_spondylitis targets. Cross-check ceruletide pharmacophore against ankylosing_spondylitis pathway. prazepam thymus_cancer GAP_LOW 0.1177 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs thymus_cancer targets. Cross-check prazepam pharmacophore against thymus_cancer pathway. midodrine chronic_kidney_failure GAP_LOW 0.1177 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs chronic_kidney_failure targets. Cross-check midodrine pharmacophore against chronic_kidney_failure pathway. vidarabine bone_cancer GAP_LOW 0.1177 0.07692307692307693 tetrahydrofolic_acid Low-priority: Computational docking vidarabine vs bone_cancer targets. Cross-check vidarabine pharmacophore against bone_cancer pathway. colchicine atherosclerosis GAP_LOW 0.1177 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking colchicine vs atherosclerosis targets. Cross-check colchicine pharmacophore against atherosclerosis pathway. nabumetone lymphatic_system_cancer GAP_LOW 0.1177 0.041666666666666664 riboflavin Low-priority: Computational docking nabumetone vs lymphatic_system_cancer targets. Cross-check nabumetone pharmacophore against lymphatic_system_cancer pathway. acetylcysteine rectum_cancer GAP_LOW 0.1177 0.0 hydrocortisone Low-priority: Computational docking acetylcysteine vs rectum_cancer targets. Cross-check acetylcysteine pharmacophore against rectum_cancer pathway. epirubicin pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking epirubicin vs pagets_disease_of_bone targets. Cross-check epirubicin pharmacophore against pagets_disease_of_bone pathway. erlotinib pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking erlotinib vs pagets_disease_of_bone targets. Cross-check erlotinib pharmacophore against pagets_disease_of_bone pathway. estradiol_valeratedienogest pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking estradiol_valeratedienogest vs pagets_disease_of_bone targets. Cross-check estradiol_valeratedienogest pharmacophore against pagets_disease_of_bone pathway. mefenamic_acid pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking mefenamic_acid vs pagets_disease_of_bone targets. Cross-check mefenamic_acid pharmacophore against pagets_disease_of_bone pathway. mepenzolate pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking mepenzolate vs pagets_disease_of_bone targets. Cross-check mepenzolate pharmacophore against pagets_disease_of_bone pathway. penicillamine lung_cancer GAP_LOW 0.1177 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs lung_cancer targets. Cross-check penicillamine pharmacophore against lung_cancer pathway. penicillamine rectum_cancer GAP_LOW 0.1177 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs rectum_cancer targets. Cross-check penicillamine pharmacophore against rectum_cancer pathway. phenprocoumon pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking phenprocoumon vs pagets_disease_of_bone targets. Cross-check phenprocoumon pharmacophore against pagets_disease_of_bone pathway. podofilox pagets_disease_of_bone GAP_LOW 0.1177 0.0 ibandronate Low-priority: Computational docking podofilox vs pagets_disease_of_bone targets. Cross-check podofilox pharmacophore against pagets_disease_of_bone pathway. diphenhydramine primary_biliary_cirrhosis GAP_HIGH 0.1176 0.39285714285714285 toremifene High-priority: Binding assay diphenhydramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.39) dydrogesterone amyotrophic_lateral_sclerosis GAP_HIGH 0.1176 0.28 fludrocortisone High-priority: Binding assay dydrogesterone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.28) diclofenac systemic_scleroderma GAP_HIGH 0.1176 0.25 phenindione High-priority: Binding assay diclofenac→?; validate in systemic_scleroderma cell model. Expected: similar to phenindione (Jaccard=0.25) glucosamine polycystic_ovary_syndrome GAP_HIGH 0.1176 0.25 lamivudine High-priority: Binding assay glucosamine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.25) procarbazine prostate_cancer GAP_HIGH 0.1176 0.21212121212121213 fenoprofen High-priority: Binding assay procarbazine→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) flunarizine gout GAP_HIGH 0.1176 0.2 modafinil High-priority: Binding assay flunarizine→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.20) flunarizine primary_biliary_cirrhosis GAP_HIGH 0.1176 0.2 letrozole High-priority: Binding assay flunarizine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to letrozole (Jaccard=0.20) anileridine chronic_kidney_failure GAP_HIGH 0.1176 0.18181818181818182 toremifene High-priority: Binding assay anileridine→?; validate in chronic_kidney_failure cell model. Expected: similar to toremifene (Jaccard=0.18) calcitriol uterine_cancer GAP_LOW 0.1176 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs uterine_cancer targets. Cross-check calcitriol pharmacophore against uterine_cancer pathway. etidronic_acid allergic_rhinitis GAP_LOW 0.1176 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs allergic_rhinitis targets. Cross-check etidronic_acid pharmacophore against allergic_rhinitis pathway. etidronic_acid hypertension GAP_LOW 0.1176 0.14285714285714285 ritodrine Low-priority: Computational docking etidronic_acid vs hypertension targets. Cross-check etidronic_acid pharmacophore against hypertension pathway. methyclothiazide creutzfeldt-jakob_disease GAP_LOW 0.1176 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs creutzfeldt-jakob_disease targets. Cross-check methyclothiazide pharmacophore against creutzfeldt-jakob_disease pathway. dapsone azoospermia GAP_LOW 0.1176 0.125 nateglinide Low-priority: Computational docking dapsone vs azoospermia targets. Cross-check dapsone pharmacophore against azoospermia pathway. nabumetone bipolar_disorder GAP_LOW 0.1176 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs bipolar_disorder targets. Cross-check nabumetone pharmacophore against bipolar_disorder pathway. ceruletide chronic_obstructive_pulmonary_disease GAP_LOW 0.1176 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs chronic_obstructive_pulmonary_disease targets. Cross-check ceruletide pharmacophore against chronic_obstructive_pulmonary_disease pathway. melatonin head_and_neck_cancer GAP_LOW 0.1176 0.1 dexamethasone Low-priority: Computational docking melatonin vs head_and_neck_cancer targets. Cross-check melatonin pharmacophore against head_and_neck_cancer pathway. melatonin malignant_glioma GAP_LOW 0.1176 0.1 dexamethasone Low-priority: Computational docking melatonin vs malignant_glioma targets. Cross-check melatonin pharmacophore against malignant_glioma pathway. nabumetone azoospermia GAP_LOW 0.1176 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs azoospermia targets. Cross-check nabumetone pharmacophore against azoospermia pathway. midodrine brain_cancer GAP_LOW 0.1176 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking midodrine vs brain_cancer targets. Cross-check midodrine pharmacophore against brain_cancer pathway. midodrine intracranial_aneurysm GAP_LOW 0.1176 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs intracranial_aneurysm targets. Cross-check midodrine pharmacophore against intracranial_aneurysm pathway. l-carnitine coronary_artery_disease GAP_LOW 0.1176 0.06666666666666667 moexipril Low-priority: Computational docking l-carnitine vs coronary_artery_disease targets. Cross-check l-carnitine pharmacophore against coronary_artery_disease pathway. aminocaproic_acid membranous_glomerulonephritis GAP_LOW 0.1176 0.06060606060606061 ethopropazine Low-priority: Computational docking aminocaproic_acid vs membranous_glomerulonephritis targets. Cross-check aminocaproic_acid pharmacophore against membranous_glomerulonephritis pathway. chlorpropamide acquired_immunodeficiency_syndrome GAP_LOW 0.1176 0.05 lisinopril Low-priority: Computational docking chlorpropamide vs acquired_immunodeficiency_syndrome targets. Cross-check chlorpropamide pharmacophore against acquired_immunodeficiency_syndrome pathway. papaverine germ_cell_cancer GAP_LOW 0.1176 0.045454545454545456 toremifene Low-priority: Computational docking papaverine vs germ_cell_cancer targets. Cross-check papaverine pharmacophore against germ_cell_cancer pathway. l-asparagine esophageal_cancer GAP_LOW 0.1176 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs esophageal_cancer targets. Cross-check l-asparagine pharmacophore against esophageal_cancer pathway. quinacrine hepatitis_b GAP_LOW 0.1176 0.030303030303030304 ribavirin Low-priority: Computational docking quinacrine vs hepatitis_b targets. Cross-check quinacrine pharmacophore against hepatitis_b pathway. aminoglutethimide refractive_error GAP_LOW 0.1176 0.0 pirbuterol Low-priority: Computational docking aminoglutethimide vs refractive_error targets. Cross-check aminoglutethimide pharmacophore against refractive_error pathway. conjugated_estrogens leprosy GAP_LOW 0.1176 0.0 sulfapyridine Low-priority: Computational docking conjugated_estrogens vs leprosy targets. Cross-check conjugated_estrogens pharmacophore against leprosy pathway. dihomo-gamma-linolenic_acid alzheimers_disease GAP_LOW 0.1176 0.0 flurazepam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs alzheimers_disease targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against alzheimers_disease pathway. lubiprostone alzheimers_disease GAP_LOW 0.1176 0.0 flurazepam Low-priority: Computational docking lubiprostone vs alzheimers_disease targets. Cross-check lubiprostone pharmacophore against alzheimers_disease pathway. remifentanil leprosy GAP_LOW 0.1176 0.0 sulfapyridine Low-priority: Computational docking remifentanil vs leprosy targets. Cross-check remifentanil pharmacophore against leprosy pathway. telmisartan leprosy GAP_LOW 0.1176 0.0 sulfapyridine Low-priority: Computational docking telmisartan vs leprosy targets. Cross-check telmisartan pharmacophore against leprosy pathway. tetracycline meningioma GAP_LOW 0.1176 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs meningioma targets. Cross-check tetracycline pharmacophore against meningioma pathway. thiamylal meningioma GAP_LOW 0.1176 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs meningioma targets. Cross-check thiamylal pharmacophore against meningioma pathway. valsartan refractive_error GAP_LOW 0.1176 0.0 pirbuterol Low-priority: Computational docking valsartan vs refractive_error targets. Cross-check valsartan pharmacophore against refractive_error pathway. vitamin_a leprosy GAP_LOW 0.1176 0.0 sulfapyridine Low-priority: Computational docking vitamin_a vs leprosy targets. Cross-check vitamin_a pharmacophore against leprosy pathway. acepromazine vascular_cancer GAP_HIGH 0.1175 0.375 doxepin High-priority: Binding assay acepromazine→?; validate in vascular_cancer cell model. Expected: similar to doxepin (Jaccard=0.38) droxidopa migraine GAP_HIGH 0.1175 0.3333333333333333 salicylate-sodium High-priority: Binding assay droxidopa→?; validate in migraine cell model. Expected: similar to salicylate-sodium (Jaccard=0.33) estradiol breast_cancer GAP_HIGH 0.1175 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in breast_cancer cell model. Expected: similar to progesterone (Jaccard=0.32) doxorubicin osteoporosis GAP_HIGH 0.1175 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in osteoporosis cell model. Expected: similar to dexamethasone (Jaccard=0.29) doxorubicin ovarian_cancer GAP_HIGH 0.1175 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in ovarian_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) doxorubicin uterine_cancer GAP_HIGH 0.1175 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in uterine_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) ethinyl_estradiol mediastinal_cancer GAP_HIGH 0.1175 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in mediastinal_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) azatadine ocular_cancer GAP_HIGH 0.1175 0.2727272727272727 bimatoprost High-priority: Binding assay azatadine→?; validate in ocular_cancer cell model. Expected: similar to bimatoprost (Jaccard=0.27) salicylate-sodium malaria GAP_HIGH 0.1175 0.23809523809523808 sulfapyridine High-priority: Binding assay salicylate-sodium→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.24) lidocaine alzheimers_disease GAP_HIGH 0.1175 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.21) medroxyprogesterone_acetate panic_disorder GAP_HIGH 0.1175 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in panic_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) medroxyprogesterone_acetate schizophrenia GAP_HIGH 0.1175 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in schizophrenia cell model. Expected: similar to bifonazole (Jaccard=0.20) sulfaphenazole idiopathic_pulmonary_fibrosis GAP_HIGH 0.1175 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to droxidopa (Jaccard=0.19) vindesine brain_cancer GAP_HIGH 0.1175 0.16666666666666666 teniposide High-priority: Binding assay vindesine→?; validate in brain_cancer cell model. Expected: similar to teniposide (Jaccard=0.17) vindesine intracranial_aneurysm GAP_HIGH 0.1175 0.16666666666666666 teniposide High-priority: Binding assay vindesine→?; validate in intracranial_aneurysm cell model. Expected: similar to teniposide (Jaccard=0.17) calcitriol ovarian_cancer GAP_LOW 0.1175 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs ovarian_cancer targets. Cross-check calcitriol pharmacophore against ovarian_cancer pathway. ergocalciferol muscle_cancer GAP_LOW 0.1175 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs muscle_cancer targets. Cross-check ergocalciferol pharmacophore against muscle_cancer pathway. dimetindene malaria GAP_LOW 0.1175 0.13333333333333333 warfarin Low-priority: Computational docking dimetindene vs malaria targets. Cross-check dimetindene pharmacophore against malaria pathway. practolol focal_segmental_glomerulosclerosis GAP_LOW 0.1175 0.13333333333333333 chlorthalidone Low-priority: Computational docking practolol vs focal_segmental_glomerulosclerosis targets. Cross-check practolol pharmacophore against focal_segmental_glomerulosclerosis pathway. nabumetone endogenous_depression GAP_LOW 0.1175 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs endogenous_depression targets. Cross-check nabumetone pharmacophore against endogenous_depression pathway. nabumetone uterine_cancer GAP_LOW 0.1175 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs uterine_cancer targets. Cross-check nabumetone pharmacophore against uterine_cancer pathway. vitamin_a sclerosing_cholangitis GAP_LOW 0.1175 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs sclerosing_cholangitis targets. Cross-check vitamin_a pharmacophore against sclerosing_cholangitis pathway. trifluridine autistic_disorder GAP_LOW 0.1175 0.09090909090909091 l-arginine Low-priority: Computational docking trifluridine vs autistic_disorder targets. Cross-check trifluridine pharmacophore against autistic_disorder pathway. trifluridine nicotine_dependence GAP_LOW 0.1175 0.09090909090909091 l-arginine Low-priority: Computational docking trifluridine vs nicotine_dependence targets. Cross-check trifluridine pharmacophore against nicotine_dependence pathway. nabumetone brain_cancer GAP_LOW 0.1175 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs brain_cancer targets. Cross-check nabumetone pharmacophore against brain_cancer pathway. nabumetone intracranial_aneurysm GAP_LOW 0.1175 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs intracranial_aneurysm targets. Cross-check nabumetone pharmacophore against intracranial_aneurysm pathway. latanoprost head_and_neck_cancer GAP_LOW 0.1175 0.07142857142857142 prednicarbate Low-priority: Computational docking latanoprost vs head_and_neck_cancer targets. Cross-check latanoprost pharmacophore against head_and_neck_cancer pathway. latanoprost malignant_glioma GAP_LOW 0.1175 0.07142857142857142 prednicarbate Low-priority: Computational docking latanoprost vs malignant_glioma targets. Cross-check latanoprost pharmacophore against malignant_glioma pathway. vapreotide chronic_kidney_failure GAP_LOW 0.1175 0.07142857142857142 ergocalciferol Low-priority: Computational docking vapreotide vs chronic_kidney_failure targets. Cross-check vapreotide pharmacophore against chronic_kidney_failure pathway. choline type_1_diabetes_mellitus GAP_LOW 0.1175 0.06666666666666667 rimexolone Low-priority: Computational docking choline vs type_1_diabetes_mellitus targets. Cross-check choline pharmacophore against type_1_diabetes_mellitus pathway. l-ornithine stomach_cancer GAP_LOW 0.1175 0.0625 fluticasone_propionate Low-priority: Computational docking l-ornithine vs stomach_cancer targets. Cross-check l-ornithine pharmacophore against stomach_cancer pathway. l-aspartic_acid germ_cell_cancer GAP_LOW 0.1175 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs germ_cell_cancer targets. Cross-check l-aspartic_acid pharmacophore against germ_cell_cancer pathway. imatinib gestational_diabetes GAP_LOW 0.1175 0.02702702702702703 gliclazide Low-priority: Computational docking imatinib vs gestational_diabetes targets. Cross-check imatinib pharmacophore against gestational_diabetes pathway. dihomo-gamma-linolenic_acid amyotrophic_lateral_sclerosis GAP_LOW 0.1175 0.0 cinolazepam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs amyotrophic_lateral_sclerosis targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against amyotrophic_lateral_sclerosis pathway. exemestane hypothyroidism GAP_LOW 0.1175 0.0 methimazole Low-priority: Computational docking exemestane vs hypothyroidism targets. Cross-check exemestane pharmacophore against hypothyroidism pathway. fentanyl hypothyroidism GAP_LOW 0.1175 0.0 methimazole Low-priority: Computational docking fentanyl vs hypothyroidism targets. Cross-check fentanyl pharmacophore against hypothyroidism pathway. loratadine alcohol_dependence GAP_LOW 0.1175 0.0 midazolam Low-priority: Computational docking loratadine vs alcohol_dependence targets. Cross-check loratadine pharmacophore against alcohol_dependence pathway. lubiprostone amyotrophic_lateral_sclerosis GAP_LOW 0.1175 0.0 cinolazepam Low-priority: Computational docking lubiprostone vs amyotrophic_lateral_sclerosis targets. Cross-check lubiprostone pharmacophore against amyotrophic_lateral_sclerosis pathway. medrysone hypothyroidism GAP_LOW 0.1175 0.0 methimazole Low-priority: Computational docking medrysone vs hypothyroidism targets. Cross-check medrysone pharmacophore against hypothyroidism pathway. mesalazine hypothyroidism GAP_LOW 0.1175 0.0 methimazole Low-priority: Computational docking mesalazine vs hypothyroidism targets. Cross-check mesalazine pharmacophore against hypothyroidism pathway. penicillamine liver_cancer GAP_LOW 0.1175 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs liver_cancer targets. Cross-check penicillamine pharmacophore against liver_cancer pathway. tolazamide alcohol_dependence GAP_LOW 0.1175 0.0 midazolam Low-priority: Computational docking tolazamide vs alcohol_dependence targets. Cross-check tolazamide pharmacophore against alcohol_dependence pathway. doxepin thyroid_cancer GAP_HIGH 0.1174 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) loperamide focal_segmental_glomerulosclerosis GAP_HIGH 0.1174 0.3333333333333333 promazine High-priority: Binding assay loperamide→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promazine (Jaccard=0.33) phenacemide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1174 0.30434782608695654 phentermine High-priority: Binding assay phenacemide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to phentermine (Jaccard=0.30) doxorubicin sarcoma GAP_HIGH 0.1174 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in sarcoma cell model. Expected: similar to dexamethasone (Jaccard=0.29) ethinyl_estradiol primary_biliary_cirrhosis GAP_HIGH 0.1174 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to hydrocortisone (Jaccard=0.29) prochlorperazine prostate_cancer GAP_HIGH 0.1174 0.2727272727272727 pipotiazine High-priority: Binding assay prochlorperazine→?; validate in prostate_cancer cell model. Expected: similar to pipotiazine (Jaccard=0.27) lidocaine autistic_disorder GAP_HIGH 0.1174 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine nicotine_dependence GAP_HIGH 0.1174 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine parkinsons_disease GAP_HIGH 0.1174 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.21) alendronate metabolic_syndrome_x GAP_HIGH 0.1174 0.2 diazoxide High-priority: Binding assay alendronate→?; validate in metabolic_syndrome_x cell model. Expected: similar to diazoxide (Jaccard=0.20) arbutamine penile_cancer GAP_HIGH 0.1174 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) l-tryptophan systemic_lupus_erythematosus GAP_HIGH 0.1174 0.2 isoprenaline High-priority: Binding assay l-tryptophan→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoprenaline (Jaccard=0.20) medroxyprogesterone_acetate conduct_disorder GAP_HIGH 0.1174 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in conduct_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) probenecid mediastinal_cancer GAP_HIGH 0.1174 0.2 warfarin High-priority: Binding assay probenecid→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) zidovudine metabolic_syndrome_x GAP_HIGH 0.1174 0.2 amiloride High-priority: Binding assay zidovudine→?; validate in metabolic_syndrome_x cell model. Expected: similar to amiloride (Jaccard=0.20) doxylamine salivary_gland_cancer GAP_HIGH 0.1174 0.17647058823529413 phenylbutazone High-priority: Binding assay doxylamine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) desipramine bone_cancer GAP_HIGH 0.1174 0.16666666666666666 histamine_phosphate High-priority: Binding assay desipramine→?; validate in bone_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) ergocalciferol ocular_cancer GAP_LOW 0.1174 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs ocular_cancer targets. Cross-check ergocalciferol pharmacophore against ocular_cancer pathway. ergocalciferol rectum_cancer GAP_LOW 0.1174 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs rectum_cancer targets. Cross-check ergocalciferol pharmacophore against rectum_cancer pathway. adenine lymphatic_system_cancer GAP_LOW 0.1174 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs lymphatic_system_cancer targets. Cross-check adenine pharmacophore against lymphatic_system_cancer pathway. arformoterol coronary_artery_disease GAP_LOW 0.1174 0.125 indecainide Low-priority: Computational docking arformoterol vs coronary_artery_disease targets. Cross-check arformoterol pharmacophore against coronary_artery_disease pathway. hydrochlorothiazide systemic_scleroderma GAP_LOW 0.1174 0.125 indapamide Low-priority: Computational docking hydrochlorothiazide vs systemic_scleroderma targets. Cross-check hydrochlorothiazide pharmacophore against systemic_scleroderma pathway. nabumetone ovarian_cancer GAP_LOW 0.1174 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs ovarian_cancer targets. Cross-check nabumetone pharmacophore against ovarian_cancer pathway. tioguanine idiopathic_pulmonary_fibrosis GAP_LOW 0.1174 0.125 dienestrol Low-priority: Computational docking tioguanine vs idiopathic_pulmonary_fibrosis targets. Cross-check tioguanine pharmacophore against idiopathic_pulmonary_fibrosis pathway. midodrine polycystic_ovary_syndrome GAP_LOW 0.1174 0.1111111111111111 dextromethorphan Low-priority: Computational docking midodrine vs polycystic_ovary_syndrome targets. Cross-check midodrine pharmacophore against polycystic_ovary_syndrome pathway. ergocalciferol alopecia_areata GAP_LOW 0.1174 0.1 cyproterone_acetate Low-priority: Computational docking ergocalciferol vs alopecia_areata targets. Cross-check ergocalciferol pharmacophore against alopecia_areata pathway. melatonin nephrolithiasis GAP_LOW 0.1174 0.1 dexamethasone Low-priority: Computational docking melatonin vs nephrolithiasis targets. Cross-check melatonin pharmacophore against nephrolithiasis pathway. terlipressin duodenum_cancer GAP_LOW 0.1174 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs duodenum_cancer targets. Cross-check terlipressin pharmacophore against duodenum_cancer pathway. terlipressin gallbladder_cancer GAP_LOW 0.1174 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs gallbladder_cancer targets. Cross-check terlipressin pharmacophore against gallbladder_cancer pathway. midazolam leprosy GAP_LOW 0.1174 0.07692307692307693 sulfamethizole Low-priority: Computational docking midazolam vs leprosy targets. Cross-check midazolam pharmacophore against leprosy pathway. felypressin membranous_glomerulonephritis GAP_LOW 0.1174 0.07142857142857142 ergocalciferol Low-priority: Computational docking felypressin vs membranous_glomerulonephritis targets. Cross-check felypressin pharmacophore against membranous_glomerulonephritis pathway. terlipressin membranous_glomerulonephritis GAP_LOW 0.1174 0.07142857142857142 ergocalciferol Low-priority: Computational docking terlipressin vs membranous_glomerulonephritis targets. Cross-check terlipressin pharmacophore against membranous_glomerulonephritis pathway. thalidomide acquired_immunodeficiency_syndrome GAP_LOW 0.1174 0.06666666666666667 lisinopril Low-priority: Computational docking thalidomide vs acquired_immunodeficiency_syndrome targets. Cross-check thalidomide pharmacophore against acquired_immunodeficiency_syndrome pathway. nabumetone acquired_immunodeficiency_syndrome GAP_LOW 0.1174 0.015384615384615385 adenosine_monophosphate Low-priority: Computational docking nabumetone vs acquired_immunodeficiency_syndrome targets. Cross-check nabumetone pharmacophore against acquired_immunodeficiency_syndrome pathway. penicillamine urinary_bladder_cancer GAP_LOW 0.1174 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs urinary_bladder_cancer targets. Cross-check penicillamine pharmacophore against urinary_bladder_cancer pathway. salsalate vaginal_cancer GAP_HIGH 0.1173 0.35294117647058826 clonidine High-priority: Binding assay salsalate→?; validate in vaginal_cancer cell model. Expected: similar to clonidine (Jaccard=0.35) clozapine muscle_cancer GAP_HIGH 0.1173 0.30434782608695654 azelastine High-priority: Binding assay clozapine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.30) ethinyl_estradiol thymus_cancer GAP_HIGH 0.1173 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in thymus_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) fludiazepam muscle_cancer GAP_HIGH 0.1173 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in muscle_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) carbidopa esophageal_cancer GAP_HIGH 0.1173 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.26) propiomazine type_1_diabetes_mellitus GAP_HIGH 0.1173 0.25 benzatropine High-priority: Binding assay propiomazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.25) diclofenac pancreatitis GAP_HIGH 0.1173 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in pancreatitis cell model. Expected: similar to oxaprozin (Jaccard=0.24) ketorolac sarcoma GAP_HIGH 0.1173 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in sarcoma cell model. Expected: similar to bromfenac (Jaccard=0.24) lidocaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1173 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.21) danazol hypertension GAP_HIGH 0.1173 0.2 progesterone High-priority: Binding assay danazol→?; validate in hypertension cell model. Expected: similar to progesterone (Jaccard=0.20) l-tryptophan metabolic_syndrome_x GAP_HIGH 0.1173 0.2 mitiglinide High-priority: Binding assay l-tryptophan→?; validate in metabolic_syndrome_x cell model. Expected: similar to mitiglinide (Jaccard=0.20) medroxyprogesterone_acetate bipolar_disorder GAP_HIGH 0.1173 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in bipolar_disorder cell model. Expected: similar to bifonazole (Jaccard=0.20) probenecid thymus_cancer GAP_HIGH 0.1173 0.2 warfarin High-priority: Binding assay probenecid→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) mepenzolate salivary_gland_cancer GAP_HIGH 0.1173 0.1875 phenylbutazone High-priority: Binding assay mepenzolate→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) phenmetrazine vulva_cancer GAP_HIGH 0.1173 0.18518518518518517 modafinil High-priority: Binding assay phenmetrazine→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.19) deferasirox vaginal_cancer GAP_HIGH 0.1173 0.16666666666666666 vismodegib High-priority: Binding assay deferasirox→?; validate in vaginal_cancer cell model. Expected: similar to vismodegib (Jaccard=0.17) ergocalciferol alzheimers_disease GAP_LOW 0.1173 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs alzheimers_disease targets. Cross-check ergocalciferol pharmacophore against alzheimers_disease pathway. ergocalciferol liver_cancer GAP_LOW 0.1173 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs liver_cancer targets. Cross-check ergocalciferol pharmacophore against liver_cancer pathway. ergocalciferol parkinsons_disease GAP_LOW 0.1173 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs parkinsons_disease targets. Cross-check ergocalciferol pharmacophore against parkinsons_disease pathway. l-citrulline type_2_diabetes_mellitus GAP_LOW 0.1173 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs type_2_diabetes_mellitus targets. Cross-check l-citrulline pharmacophore against type_2_diabetes_mellitus pathway. l-citrulline vitiligo GAP_LOW 0.1173 0.125 doxorubicin Low-priority: Computational docking l-citrulline vs vitiligo targets. Cross-check l-citrulline pharmacophore against vitiligo pathway. dienestrol focal_segmental_glomerulosclerosis GAP_LOW 0.1173 0.11764705882352941 toremifene Low-priority: Computational docking dienestrol vs focal_segmental_glomerulosclerosis targets. Cross-check dienestrol pharmacophore against focal_segmental_glomerulosclerosis pathway. arformoterol gilles_de_la_tourette_syndrome GAP_LOW 0.1173 0.1 tolterodine Low-priority: Computational docking arformoterol vs gilles_de_la_tourette_syndrome targets. Cross-check arformoterol pharmacophore against gilles_de_la_tourette_syndrome pathway. ceruletide salivary_gland_cancer GAP_LOW 0.1173 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs salivary_gland_cancer targets. Cross-check ceruletide pharmacophore against salivary_gland_cancer pathway. trifluridine attention_deficit_hyperactivity_disorder GAP_LOW 0.1173 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs attention_deficit_hyperactivity_disorder targets. Cross-check trifluridine pharmacophore against attention_deficit_hyperactivity_disorder pathway. ergocalciferol malaria GAP_LOW 0.1173 0.08333333333333333 sulfamethizole Low-priority: Computational docking ergocalciferol vs malaria targets. Cross-check ergocalciferol pharmacophore against malaria pathway. vapreotide prostate_cancer GAP_LOW 0.1173 0.08333333333333333 ceruletide Low-priority: Computational docking vapreotide vs prostate_cancer targets. Cross-check vapreotide pharmacophore against prostate_cancer pathway. pamidronate leprosy GAP_LOW 0.1173 0.07692307692307693 sulfamethizole Low-priority: Computational docking pamidronate vs leprosy targets. Cross-check pamidronate pharmacophore against leprosy pathway. prazepam celiac_disease GAP_LOW 0.1173 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking prazepam vs celiac_disease targets. Cross-check prazepam pharmacophore against celiac_disease pathway. felypressin celiac_disease GAP_LOW 0.1173 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs celiac_disease targets. Cross-check felypressin pharmacophore against celiac_disease pathway. halazepam alopecia_areata GAP_LOW 0.1173 0.06666666666666667 levorphanol Low-priority: Computational docking halazepam vs alopecia_areata targets. Cross-check halazepam pharmacophore against alopecia_areata pathway. terlipressin celiac_disease GAP_LOW 0.1173 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs celiac_disease targets. Cross-check terlipressin pharmacophore against celiac_disease pathway. dasatinib acquired_immunodeficiency_syndrome GAP_LOW 0.1173 0.058823529411764705 lisinopril Low-priority: Computational docking dasatinib vs acquired_immunodeficiency_syndrome targets. Cross-check dasatinib pharmacophore against acquired_immunodeficiency_syndrome pathway. pomalidomide acquired_immunodeficiency_syndrome GAP_LOW 0.1173 0.058823529411764705 lisinopril Low-priority: Computational docking pomalidomide vs acquired_immunodeficiency_syndrome targets. Cross-check pomalidomide pharmacophore against acquired_immunodeficiency_syndrome pathway. vapreotide alopecia_areata GAP_LOW 0.1173 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs alopecia_areata targets. Cross-check vapreotide pharmacophore against alopecia_areata pathway. pravastatin salivary_gland_cancer GAP_LOW 0.1173 0.04 phenacemide Low-priority: Computational docking pravastatin vs salivary_gland_cancer targets. Cross-check pravastatin pharmacophore against salivary_gland_cancer pathway. losartan chronic_kidney_failure GAP_LOW 0.1173 0.0 cinolazepam Low-priority: Computational docking losartan vs chronic_kidney_failure targets. Cross-check losartan pharmacophore against chronic_kidney_failure pathway. modafinil hypothyroidism GAP_LOW 0.1173 0.0 methimazole Low-priority: Computational docking modafinil vs hypothyroidism targets. Cross-check modafinil pharmacophore against hypothyroidism pathway. loperamide chronic_kidney_failure GAP_HIGH 0.1172 0.3448275862068966 methadone High-priority: Binding assay loperamide→?; validate in chronic_kidney_failure cell model. Expected: similar to methadone (Jaccard=0.34) chlorcyclizine chronic_kidney_failure GAP_HIGH 0.1172 0.3333333333333333 temazepam High-priority: Binding assay chlorcyclizine→?; validate in chronic_kidney_failure cell model. Expected: similar to temazepam (Jaccard=0.33) pheniramine penile_cancer GAP_HIGH 0.1172 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) norethindrone primary_biliary_cirrhosis GAP_HIGH 0.1172 0.3 testosterone_propionate High-priority: Binding assay norethindrone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to testosterone_propionate (Jaccard=0.30) prednisolone restless_legs_syndrome GAP_HIGH 0.1172 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in restless_legs_syndrome cell model. Expected: similar to amcinonide (Jaccard=0.29) benzphetamine pharynx_cancer GAP_HIGH 0.1172 0.28 diphenylpyraline High-priority: Binding assay benzphetamine→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) testosterone allergic_rhinitis GAP_HIGH 0.1172 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in allergic_rhinitis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) flunarizine skin_cancer GAP_HIGH 0.1172 0.21739130434782608 diphenylpyraline High-priority: Binding assay flunarizine→?; validate in skin_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.22) arbutamine malignant_mesothelioma GAP_HIGH 0.1172 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.20) atropine glaucoma GAP_HIGH 0.1172 0.2 metaraminol High-priority: Binding assay atropine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) medroxyprogesterone_acetate endogenous_depression GAP_HIGH 0.1172 0.2 bifonazole High-priority: Binding assay medroxyprogesterone_acetate→?; validate in endogenous_depression cell model. Expected: similar to bifonazole (Jaccard=0.20) anileridine germ_cell_cancer GAP_HIGH 0.1172 0.1875 tamoxifen High-priority: Binding assay anileridine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.19) practolol pancreatitis GAP_HIGH 0.1172 0.16666666666666666 midazolam High-priority: Binding assay practolol→?; validate in pancreatitis cell model. Expected: similar to midazolam (Jaccard=0.17) indecainide alcohol_dependence GAP_HIGH 0.1172 0.15384615384615385 temazepam High-priority: Binding assay indecainide→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.15) ergocalciferol autistic_disorder GAP_LOW 0.1172 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs autistic_disorder targets. Cross-check ergocalciferol pharmacophore against autistic_disorder pathway. ergocalciferol nicotine_dependence GAP_LOW 0.1172 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs nicotine_dependence targets. Cross-check ergocalciferol pharmacophore against nicotine_dependence pathway. adenosine ankylosing_spondylitis GAP_LOW 0.1172 0.125 tetrahydrofolic_acid Low-priority: Computational docking adenosine vs ankylosing_spondylitis targets. Cross-check adenosine pharmacophore against ankylosing_spondylitis pathway. adinazolam azoospermia GAP_LOW 0.1172 0.125 chlorpromazine Low-priority: Computational docking adinazolam vs azoospermia targets. Cross-check adinazolam pharmacophore against azoospermia pathway. tretinoin brain_cancer GAP_LOW 0.1172 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs brain_cancer targets. Cross-check tretinoin pharmacophore against brain_cancer pathway. dienestrol gilles_de_la_tourette_syndrome GAP_LOW 0.1172 0.11764705882352941 toremifene Low-priority: Computational docking dienestrol vs gilles_de_la_tourette_syndrome targets. Cross-check dienestrol pharmacophore against gilles_de_la_tourette_syndrome pathway. zolpidem meningioma GAP_LOW 0.1172 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs meningioma targets. Cross-check zolpidem pharmacophore against meningioma pathway. sulfadiazine dilated_cardiomyopathy GAP_LOW 0.1172 0.10526315789473684 trandolapril Low-priority: Computational docking sulfadiazine vs dilated_cardiomyopathy targets. Cross-check sulfadiazine pharmacophore against dilated_cardiomyopathy pathway. tolbutamide intracranial_aneurysm GAP_LOW 0.1172 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs intracranial_aneurysm targets. Cross-check tolbutamide pharmacophore against intracranial_aneurysm pathway. aminocaproic_acid rectum_cancer GAP_LOW 0.1172 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs rectum_cancer targets. Cross-check aminocaproic_acid pharmacophore against rectum_cancer pathway. tioguanine leprosy GAP_LOW 0.1172 0.047619047619047616 phensuximide Low-priority: Computational docking tioguanine vs leprosy targets. Cross-check tioguanine pharmacophore against leprosy pathway. pravastatin muscle_cancer GAP_LOW 0.1172 0.04 phenacemide Low-priority: Computational docking pravastatin vs muscle_cancer targets. Cross-check pravastatin pharmacophore against muscle_cancer pathway. amitriptyline prostate_cancer GAP_HIGH 0.1171 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in prostate_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) prednisolone type_2_diabetes_mellitus GAP_HIGH 0.1171 0.2857142857142857 amcinonide High-priority: Binding assay prednisolone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to amcinonide (Jaccard=0.29) flurbiprofen larynx_cancer GAP_HIGH 0.1171 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.26) paclitaxel asthma GAP_HIGH 0.1171 0.25 danazol High-priority: Binding assay paclitaxel→?; validate in asthma cell model. Expected: similar to danazol (Jaccard=0.25) cinnarizine malignant_mesothelioma GAP_HIGH 0.1171 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.23) testosterone thyroid_cancer GAP_HIGH 0.1171 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in thyroid_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) antazoline idiopathic_pulmonary_fibrosis GAP_HIGH 0.1171 0.21428571428571427 diphenhydramine High-priority: Binding assay antazoline→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.21) lidocaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1171 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.21) doxylamine ocular_cancer GAP_HIGH 0.1171 0.17647058823529413 phenylbutazone High-priority: Binding assay doxylamine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) sulfadiazine refractive_error GAP_HIGH 0.1171 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in refractive_error cell model. Expected: similar to droxidopa (Jaccard=0.17) ethylmorphine penile_cancer GAP_HIGH 0.1171 0.16 phenylbutazone High-priority: Binding assay ethylmorphine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) zafirlukast vulva_cancer GAP_HIGH 0.1171 0.15384615384615385 deferasirox High-priority: Binding assay zafirlukast→?; validate in vulva_cancer cell model. Expected: similar to deferasirox (Jaccard=0.15) ergocalciferol peripheral_nervous_system_neoplasm GAP_LOW 0.1171 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs peripheral_nervous_system_neoplasm targets. Cross-check ergocalciferol pharmacophore against peripheral_nervous_system_neoplasm pathway. tretinoin meningioma GAP_LOW 0.1171 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs meningioma targets. Cross-check tretinoin pharmacophore against meningioma pathway. calcitriol idiopathic_pulmonary_fibrosis GAP_LOW 0.1171 0.125 loteprednol Low-priority: Computational docking calcitriol vs idiopathic_pulmonary_fibrosis targets. Cross-check calcitriol pharmacophore against idiopathic_pulmonary_fibrosis pathway. nabumetone metabolic_syndrome_x GAP_LOW 0.1171 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs metabolic_syndrome_x targets. Cross-check nabumetone pharmacophore against metabolic_syndrome_x pathway. agomelatine membranous_glomerulonephritis GAP_LOW 0.1171 0.11764705882352941 mefenamic_acid Low-priority: Computational docking agomelatine vs membranous_glomerulonephritis targets. Cross-check agomelatine pharmacophore against membranous_glomerulonephritis pathway. arbutamine bone_cancer GAP_LOW 0.1171 0.09090909090909091 clodronate Low-priority: Computational docking arbutamine vs bone_cancer targets. Cross-check arbutamine pharmacophore against bone_cancer pathway. bevantolol leprosy GAP_LOW 0.1171 0.08 phenmetrazine Low-priority: Computational docking bevantolol vs leprosy targets. Cross-check bevantolol pharmacophore against leprosy pathway. methocarbamol mediastinal_cancer GAP_LOW 0.1171 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs mediastinal_cancer targets. Cross-check methocarbamol pharmacophore against mediastinal_cancer pathway. quinestrol refractive_error GAP_LOW 0.1171 0.05263157894736842 l-dopa Low-priority: Computational docking quinestrol vs refractive_error targets. Cross-check quinestrol pharmacophore against refractive_error pathway. l-cysteine gilles_de_la_tourette_syndrome GAP_LOW 0.1171 0.046511627906976744 remifentanil Low-priority: Computational docking l-cysteine vs gilles_de_la_tourette_syndrome targets. Cross-check l-cysteine pharmacophore against gilles_de_la_tourette_syndrome pathway. calcium_acetate lung_cancer GAP_LOW 0.1171 0.04 procaine Low-priority: Computational docking calcium_acetate vs lung_cancer targets. Cross-check calcium_acetate pharmacophore against lung_cancer pathway. pravastatin ocular_cancer GAP_LOW 0.1171 0.04 phenacemide Low-priority: Computational docking pravastatin vs ocular_cancer targets. Cross-check pravastatin pharmacophore against ocular_cancer pathway. bromodiphenhydramine pagets_disease_of_bone GAP_LOW 0.1171 0.0 ibandronate Low-priority: Computational docking bromodiphenhydramine vs pagets_disease_of_bone targets. Cross-check bromodiphenhydramine pharmacophore against pagets_disease_of_bone pathway. deferasirox pagets_disease_of_bone GAP_LOW 0.1171 0.0 ibandronate Low-priority: Computational docking deferasirox vs pagets_disease_of_bone targets. Cross-check deferasirox pharmacophore against pagets_disease_of_bone pathway. menadione pagets_disease_of_bone GAP_LOW 0.1171 0.0 ibandronate Low-priority: Computational docking menadione vs pagets_disease_of_bone targets. Cross-check menadione pharmacophore against pagets_disease_of_bone pathway. mitiglinide pagets_disease_of_bone GAP_LOW 0.1171 0.0 ibandronate Low-priority: Computational docking mitiglinide vs pagets_disease_of_bone targets. Cross-check mitiglinide pharmacophore against pagets_disease_of_bone pathway. perphenazine malignant_mesothelioma GAP_HIGH 0.117 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.32) doxorubicin osteoarthritis GAP_HIGH 0.117 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in osteoarthritis cell model. Expected: similar to dexamethasone (Jaccard=0.29) paclitaxel breast_cancer GAP_HIGH 0.117 0.25 danazol High-priority: Binding assay paclitaxel→?; validate in breast_cancer cell model. Expected: similar to danazol (Jaccard=0.25) fosphenytoin kidney_cancer GAP_HIGH 0.117 0.23076923076923078 quinacrine High-priority: Binding assay fosphenytoin→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.23) testosterone psoriasis GAP_HIGH 0.117 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in psoriasis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) fosphenytoin focal_segmental_glomerulosclerosis GAP_HIGH 0.117 0.2222222222222222 chlorprothixene High-priority: Binding assay fosphenytoin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.22) alendronate obesity GAP_HIGH 0.117 0.2 diazoxide High-priority: Binding assay alendronate→?; validate in obesity cell model. Expected: similar to diazoxide (Jaccard=0.20) pimozide pharynx_cancer GAP_HIGH 0.117 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in pharynx_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) selegiline uterine_cancer GAP_HIGH 0.117 0.2 topotecan High-priority: Binding assay selegiline→?; validate in uterine_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) zidovudine obesity GAP_HIGH 0.117 0.2 amiloride High-priority: Binding assay zidovudine→?; validate in obesity cell model. Expected: similar to amiloride (Jaccard=0.20) mepenzolate ocular_cancer GAP_HIGH 0.117 0.1875 phenylbutazone High-priority: Binding assay mepenzolate→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.19) isocarboxazid duodenum_cancer GAP_HIGH 0.117 0.16666666666666666 l-dopa High-priority: Binding assay isocarboxazid→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.17) isocarboxazid gallbladder_cancer GAP_HIGH 0.117 0.16666666666666666 l-dopa High-priority: Binding assay isocarboxazid→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.17) isocarboxazid melanoma GAP_HIGH 0.117 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in melanoma cell model. Expected: similar to melphalan (Jaccard=0.17) tranylcypromine hepatitis_b GAP_HIGH 0.117 0.16666666666666666 mitiglinide High-priority: Binding assay tranylcypromine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.17) zafirlukast vascular_cancer GAP_HIGH 0.117 0.15384615384615385 deferasirox High-priority: Binding assay zafirlukast→?; validate in vascular_cancer cell model. Expected: similar to deferasirox (Jaccard=0.15) ergocalciferol attention_deficit_hyperactivity_disorder GAP_LOW 0.117 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs attention_deficit_hyperactivity_disorder targets. Cross-check ergocalciferol pharmacophore against attention_deficit_hyperactivity_disorder pathway. gliclazide uterine_cancer GAP_LOW 0.117 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs uterine_cancer targets. Cross-check gliclazide pharmacophore against uterine_cancer pathway. ponatinib germ_cell_cancer GAP_LOW 0.117 0.125 etoricoxib Low-priority: Computational docking ponatinib vs germ_cell_cancer targets. Cross-check ponatinib pharmacophore against germ_cell_cancer pathway. benzocaine chronic_kidney_failure GAP_LOW 0.117 0.1111111111111111 amitriptyline Low-priority: Computational docking benzocaine vs chronic_kidney_failure targets. Cross-check benzocaine pharmacophore against chronic_kidney_failure pathway. chlorpropamide nephrolithiasis GAP_LOW 0.117 0.10714285714285714 procaine Low-priority: Computational docking chlorpropamide vs nephrolithiasis targets. Cross-check chlorpropamide pharmacophore against nephrolithiasis pathway. ceruletide ocular_cancer GAP_LOW 0.117 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs ocular_cancer targets. Cross-check ceruletide pharmacophore against ocular_cancer pathway. trifluridine asthma GAP_LOW 0.117 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs asthma targets. Cross-check trifluridine pharmacophore against asthma pathway. trifluridine conduct_disorder GAP_LOW 0.117 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs conduct_disorder targets. Cross-check trifluridine pharmacophore against conduct_disorder pathway. trifluridine panic_disorder GAP_LOW 0.117 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs panic_disorder targets. Cross-check trifluridine pharmacophore against panic_disorder pathway. trifluridine schizophrenia GAP_LOW 0.117 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs schizophrenia targets. Cross-check trifluridine pharmacophore against schizophrenia pathway. aminocaproic_acid liver_cancer GAP_LOW 0.117 0.08 cyclopentolate Low-priority: Computational docking aminocaproic_acid vs liver_cancer targets. Cross-check aminocaproic_acid pharmacophore against liver_cancer pathway. hydromorphone dilated_cardiomyopathy GAP_LOW 0.117 0.07142857142857142 medrysone Low-priority: Computational docking hydromorphone vs dilated_cardiomyopathy targets. Cross-check hydromorphone pharmacophore against dilated_cardiomyopathy pathway. methocarbamol thymus_cancer GAP_LOW 0.117 0.07142857142857142 epirubicin Low-priority: Computational docking methocarbamol vs thymus_cancer targets. Cross-check methocarbamol pharmacophore against thymus_cancer pathway. l-asparagine atopic_dermatitis GAP_LOW 0.117 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs atopic_dermatitis targets. Cross-check l-asparagine pharmacophore against atopic_dermatitis pathway. bimatoprost celiac_disease GAP_LOW 0.117 0.06666666666666667 suprofen Low-priority: Computational docking bimatoprost vs celiac_disease targets. Cross-check bimatoprost pharmacophore against celiac_disease pathway. clofedanol hypothyroidism GAP_LOW 0.117 0.0 methimazole Low-priority: Computational docking clofedanol vs hypothyroidism targets. Cross-check clofedanol pharmacophore against hypothyroidism pathway. dihomo-gamma-linolenic_acid panic_disorder GAP_LOW 0.117 0.0 flurazepam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs panic_disorder targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against panic_disorder pathway. dihomo-gamma-linolenic_acid schizophrenia GAP_LOW 0.117 0.0 flurazepam Low-priority: Computational docking dihomo-gamma-linolenic_acid vs schizophrenia targets. Cross-check dihomo-gamma-linolenic_acid pharmacophore against schizophrenia pathway. lubiprostone panic_disorder GAP_LOW 0.117 0.0 flurazepam Low-priority: Computational docking lubiprostone vs panic_disorder targets. Cross-check lubiprostone pharmacophore against panic_disorder pathway. lubiprostone schizophrenia GAP_LOW 0.117 0.0 flurazepam Low-priority: Computational docking lubiprostone vs schizophrenia targets. Cross-check lubiprostone pharmacophore against schizophrenia pathway. rimexolone hypothyroidism GAP_LOW 0.117 0.0 methimazole Low-priority: Computational docking rimexolone vs hypothyroidism targets. Cross-check rimexolone pharmacophore against hypothyroidism pathway. thiamylal idiopathic_pulmonary_fibrosis GAP_LOW 0.117 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs idiopathic_pulmonary_fibrosis targets. Cross-check thiamylal pharmacophore against idiopathic_pulmonary_fibrosis pathway. amitriptyline mediastinal_cancer GAP_HIGH 0.1169 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in mediastinal_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) doxepin muscle_cancer GAP_HIGH 0.1169 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) doxorubicin testicular_cancer GAP_HIGH 0.1169 0.2857142857142857 dexamethasone High-priority: Binding assay doxorubicin→?; validate in testicular_cancer cell model. Expected: similar to dexamethasone (Jaccard=0.29) erlotinib kidney_cancer GAP_HIGH 0.1169 0.25 docetaxel High-priority: Binding assay erlotinib→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.25) s-adenosylmethionine systemic_lupus_erythematosus GAP_HIGH 0.1169 0.24528301886792453 ribavirin High-priority: Binding assay s-adenosylmethionine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to ribavirin (Jaccard=0.25) testosterone multiple_sclerosis GAP_HIGH 0.1169 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in multiple_sclerosis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) lidocaine panic_disorder GAP_HIGH 0.1169 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.21) nitrazepam glaucoma GAP_HIGH 0.1169 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in glaucoma cell model. Expected: similar to practolol (Jaccard=0.18) ospemifene duodenum_cancer GAP_HIGH 0.1169 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in duodenum_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene gallbladder_cancer GAP_HIGH 0.1169 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in gallbladder_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene melanoma GAP_HIGH 0.1169 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in melanoma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) prednisolone dilated_cardiomyopathy GAP_HIGH 0.1169 0.15384615384615385 medrysone High-priority: Binding assay prednisolone→?; validate in dilated_cardiomyopathy cell model. Expected: similar to medrysone (Jaccard=0.15) calcitriol testicular_cancer GAP_LOW 0.1169 0.14285714285714285 finasteride Low-priority: Computational docking calcitriol vs testicular_cancer targets. Cross-check calcitriol pharmacophore against testicular_cancer pathway. cladribine esophageal_cancer GAP_LOW 0.1169 0.14285714285714285 gemcitabine Low-priority: Computational docking cladribine vs esophageal_cancer targets. Cross-check cladribine pharmacophore against esophageal_cancer pathway. naloxone azoospermia GAP_LOW 0.1169 0.13043478260869565 pseudoephedrine Low-priority: Computational docking naloxone vs azoospermia targets. Cross-check naloxone pharmacophore against azoospermia pathway. ospemifene type_1_diabetes_mellitus GAP_LOW 0.1169 0.13043478260869565 betamethasone Low-priority: Computational docking ospemifene vs type_1_diabetes_mellitus targets. Cross-check ospemifene pharmacophore against type_1_diabetes_mellitus pathway. calcitriol mediastinal_cancer GAP_LOW 0.1169 0.125 loteprednol Low-priority: Computational docking calcitriol vs mediastinal_cancer targets. Cross-check calcitriol pharmacophore against mediastinal_cancer pathway. telmisartan gilles_de_la_tourette_syndrome GAP_LOW 0.1169 0.125 alvimopan Low-priority: Computational docking telmisartan vs gilles_de_la_tourette_syndrome targets. Cross-check telmisartan pharmacophore against gilles_de_la_tourette_syndrome pathway. nilotinib brain_cancer GAP_LOW 0.1169 0.1111111111111111 doxorubicin Low-priority: Computational docking nilotinib vs brain_cancer targets. Cross-check nilotinib pharmacophore against brain_cancer pathway. nilotinib intracranial_aneurysm GAP_LOW 0.1169 0.1111111111111111 doxorubicin Low-priority: Computational docking nilotinib vs intracranial_aneurysm targets. Cross-check nilotinib pharmacophore against intracranial_aneurysm pathway. trifluridine allergic_rhinitis GAP_LOW 0.1169 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs allergic_rhinitis targets. Cross-check trifluridine pharmacophore against allergic_rhinitis pathway. streptozocin pancreatitis GAP_LOW 0.1169 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs pancreatitis targets. Cross-check streptozocin pharmacophore against pancreatitis pathway. danazol gestational_diabetes GAP_LOW 0.1169 0.05555555555555555 gliclazide Low-priority: Computational docking danazol vs gestational_diabetes targets. Cross-check danazol pharmacophore against gestational_diabetes pathway. l-aspartic_acid penile_cancer GAP_LOW 0.1169 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs penile_cancer targets. Cross-check l-aspartic_acid pharmacophore against penile_cancer pathway. streptozocin kidney_cancer GAP_LOW 0.1169 0.05 quinacrine Low-priority: Computational docking streptozocin vs kidney_cancer targets. Cross-check streptozocin pharmacophore against kidney_cancer pathway. alprazolam gestational_diabetes GAP_LOW 0.1169 0.047619047619047616 glisoxepide Low-priority: Computational docking alprazolam vs gestational_diabetes targets. Cross-check alprazolam pharmacophore against gestational_diabetes pathway. calcium_acetate liver_cancer GAP_LOW 0.1169 0.04 procaine Low-priority: Computational docking calcium_acetate vs liver_cancer targets. Cross-check calcium_acetate pharmacophore against liver_cancer pathway. tripelennamine leprosy GAP_LOW 0.1169 0.038461538461538464 sulfapyridine Low-priority: Computational docking tripelennamine vs leprosy targets. Cross-check tripelennamine pharmacophore against leprosy pathway. calcium_acetate lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking calcium_acetate vs lymphatic_system_cancer targets. Cross-check calcium_acetate pharmacophore against lymphatic_system_cancer pathway. candesartan esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking candesartan vs esophageal_cancer targets. Cross-check candesartan pharmacophore against esophageal_cancer pathway. isradipine lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking isradipine vs lymphatic_system_cancer targets. Cross-check isradipine pharmacophore against lymphatic_system_cancer pathway. lercanidipine atherosclerosis GAP_LOW 0.1169 0.0 fenoprofen Low-priority: Computational docking lercanidipine vs atherosclerosis targets. Cross-check lercanidipine pharmacophore against atherosclerosis pathway. lercanidipine lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking lercanidipine vs lymphatic_system_cancer targets. Cross-check lercanidipine pharmacophore against lymphatic_system_cancer pathway. mannitol esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking mannitol vs esophageal_cancer targets. Cross-check mannitol pharmacophore against esophageal_cancer pathway. nicardipine esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs esophageal_cancer targets. Cross-check nicardipine pharmacophore against esophageal_cancer pathway. nilvadipine esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs esophageal_cancer targets. Cross-check nilvadipine pharmacophore against esophageal_cancer pathway. nimodipine lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking nimodipine vs lymphatic_system_cancer targets. Cross-check nimodipine pharmacophore against lymphatic_system_cancer pathway. nisoldipine lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking nisoldipine vs lymphatic_system_cancer targets. Cross-check nisoldipine pharmacophore against lymphatic_system_cancer pathway. papaverine lymphatic_system_cancer GAP_LOW 0.1169 0.0 vinblastine Low-priority: Computational docking papaverine vs lymphatic_system_cancer targets. Cross-check papaverine pharmacophore against lymphatic_system_cancer pathway. pravastatin esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs esophageal_cancer targets. Cross-check pravastatin pharmacophore against esophageal_cancer pathway. tauroursodeoxycholic_acid esophageal_cancer GAP_LOW 0.1169 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs esophageal_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against esophageal_cancer pathway. estradiol metabolic_syndrome_x GAP_HIGH 0.1168 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in metabolic_syndrome_x cell model. Expected: similar to progesterone (Jaccard=0.32) pirenzepine mediastinal_cancer GAP_HIGH 0.1168 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.30) fludiazepam urinary_bladder_cancer GAP_HIGH 0.1168 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) norethindrone esophageal_cancer GAP_HIGH 0.1168 0.2608695652173913 hydrocortisone High-priority: Binding assay norethindrone→?; validate in esophageal_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.26) procaine hematologic_cancer GAP_HIGH 0.1168 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in hematologic_cancer cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine narcolepsy GAP_HIGH 0.1168 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in narcolepsy cell model. Expected: similar to tranylcypromine (Jaccard=0.25) dextroamphetamine colon_cancer GAP_HIGH 0.1168 0.24 phenacemide High-priority: Binding assay dextroamphetamine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.24) dextroamphetamine stomach_cancer GAP_HIGH 0.1168 0.24 phenacemide High-priority: Binding assay dextroamphetamine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.24) lidocaine asthma GAP_HIGH 0.1168 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine atopic_dermatitis GAP_HIGH 0.1168 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine breast_cancer GAP_HIGH 0.1168 0.21428571428571427 phenmetrazine High-priority: Binding assay lidocaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.21) lidocaine conduct_disorder GAP_HIGH 0.1168 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine hypertension GAP_HIGH 0.1168 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine schizophrenia GAP_HIGH 0.1168 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.21) butenafine duodenum_cancer GAP_HIGH 0.1168 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in duodenum_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) butenafine gallbladder_cancer GAP_HIGH 0.1168 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in gallbladder_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) pimozide thyroid_cancer GAP_HIGH 0.1168 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in thyroid_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) phenindione idiopathic_pulmonary_fibrosis GAP_HIGH 0.1168 0.1875 ephedrine High-priority: Binding assay phenindione→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.19) diphenidol idiopathic_pulmonary_fibrosis GAP_HIGH 0.1168 0.18518518518518517 diphenhydramine High-priority: Binding assay diphenidol→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.19) crizotinib larynx_cancer GAP_HIGH 0.1168 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) ethylmorphine gout GAP_HIGH 0.1168 0.16666666666666666 benzatropine High-priority: Binding assay ethylmorphine→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.17) ethylmorphine primary_biliary_cirrhosis GAP_HIGH 0.1168 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.17) etonogestrel refractive_error GAP_LOW 0.1168 0.14285714285714285 choline Low-priority: Computational docking etonogestrel vs refractive_error targets. Cross-check etonogestrel pharmacophore against refractive_error pathway. calcitriol gout GAP_LOW 0.1168 0.125 loteprednol Low-priority: Computational docking calcitriol vs gout targets. Cross-check calcitriol pharmacophore against gout pathway. calcitriol thymus_cancer GAP_LOW 0.1168 0.125 loteprednol Low-priority: Computational docking calcitriol vs thymus_cancer targets. Cross-check calcitriol pharmacophore against thymus_cancer pathway. nabumetone testicular_cancer GAP_LOW 0.1168 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs testicular_cancer targets. Cross-check nabumetone pharmacophore against testicular_cancer pathway. pralatrexate celiac_disease GAP_LOW 0.1168 0.125 olsalazine Low-priority: Computational docking pralatrexate vs celiac_disease targets. Cross-check pralatrexate pharmacophore against celiac_disease pathway. ergocalciferol kidney_cancer GAP_LOW 0.1168 0.1111111111111111 docetaxel Low-priority: Computational docking ergocalciferol vs kidney_cancer targets. Cross-check ergocalciferol pharmacophore against kidney_cancer pathway. indomethacin kidney_cancer GAP_LOW 0.1168 0.1111111111111111 clofibrate Low-priority: Computational docking indomethacin vs kidney_cancer targets. Cross-check indomethacin pharmacophore against kidney_cancer pathway. tolbutamide crohns_disease GAP_LOW 0.1168 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs crohns_disease targets. Cross-check tolbutamide pharmacophore against crohns_disease pathway. trifluridine bipolar_disorder GAP_LOW 0.1168 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs bipolar_disorder targets. Cross-check trifluridine pharmacophore against bipolar_disorder pathway. dihydrotachysterol atherosclerosis GAP_LOW 0.1168 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs atherosclerosis targets. Cross-check dihydrotachysterol pharmacophore against atherosclerosis pathway. dyphylline esophageal_cancer GAP_LOW 0.1168 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs esophageal_cancer targets. Cross-check dyphylline pharmacophore against esophageal_cancer pathway. amcinonide hypothyroidism GAP_LOW 0.1168 0.0 methimazole Low-priority: Computational docking amcinonide vs hypothyroidism targets. Cross-check amcinonide pharmacophore against hypothyroidism pathway. penicillamine stomach_cancer GAP_LOW 0.1168 0.0 hydrocortisone Low-priority: Computational docking penicillamine vs stomach_cancer targets. Cross-check penicillamine pharmacophore against stomach_cancer pathway. testolactone hypothyroidism GAP_LOW 0.1168 0.0 methimazole Low-priority: Computational docking testolactone vs hypothyroidism targets. Cross-check testolactone pharmacophore against hypothyroidism pathway. amitriptyline thymus_cancer GAP_HIGH 0.1167 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in thymus_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) pirenzepine thymus_cancer GAP_HIGH 0.1167 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.30) paclitaxel osteoporosis GAP_HIGH 0.1167 0.25 danazol High-priority: Binding assay paclitaxel→?; validate in osteoporosis cell model. Expected: similar to danazol (Jaccard=0.25) paclitaxel ovarian_cancer GAP_HIGH 0.1167 0.25 danazol High-priority: Binding assay paclitaxel→?; validate in ovarian_cancer cell model. Expected: similar to danazol (Jaccard=0.25) phenprocoumon focal_segmental_glomerulosclerosis GAP_HIGH 0.1167 0.23076923076923078 promethazine High-priority: Binding assay phenprocoumon→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.23) testosterone systemic_lupus_erythematosus GAP_HIGH 0.1167 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) testosterone muscle_cancer GAP_HIGH 0.1167 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in muscle_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) lidocaine allergic_rhinitis GAP_HIGH 0.1167 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.21) lidocaine bipolar_disorder GAP_HIGH 0.1167 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.21) dimetindene primary_biliary_cirrhosis GAP_HIGH 0.1167 0.18181818181818182 tamoxifen High-priority: Binding assay dimetindene→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.18) flurazepam systemic_lupus_erythematosus GAP_HIGH 0.1167 0.17647058823529413 diazepam High-priority: Binding assay flurazepam→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diazepam (Jaccard=0.18) imipramine head_and_neck_cancer GAP_HIGH 0.1167 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) imipramine malignant_glioma GAP_HIGH 0.1167 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.17) isocarboxazid sclerosing_cholangitis GAP_HIGH 0.1167 0.16666666666666666 melphalan High-priority: Binding assay isocarboxazid→?; validate in sclerosing_cholangitis cell model. Expected: similar to melphalan (Jaccard=0.17) vindesine head_and_neck_cancer GAP_HIGH 0.1167 0.16666666666666666 teniposide High-priority: Binding assay vindesine→?; validate in head_and_neck_cancer cell model. Expected: similar to teniposide (Jaccard=0.17) phenformin esophageal_cancer GAP_HIGH 0.1167 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.15) ergocalciferol asthma GAP_LOW 0.1167 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs asthma targets. Cross-check ergocalciferol pharmacophore against asthma pathway. ergocalciferol conduct_disorder GAP_LOW 0.1167 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs conduct_disorder targets. Cross-check ergocalciferol pharmacophore against conduct_disorder pathway. ergocalciferol panic_disorder GAP_LOW 0.1167 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs panic_disorder targets. Cross-check ergocalciferol pharmacophore against panic_disorder pathway. ergocalciferol schizophrenia GAP_LOW 0.1167 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs schizophrenia targets. Cross-check ergocalciferol pharmacophore against schizophrenia pathway. nabumetone obesity GAP_LOW 0.1167 0.125 alfuzosin Low-priority: Computational docking nabumetone vs obesity targets. Cross-check nabumetone pharmacophore against obesity pathway. quinethazone gilles_de_la_tourette_syndrome GAP_LOW 0.1167 0.125 mazindol Low-priority: Computational docking quinethazone vs gilles_de_la_tourette_syndrome targets. Cross-check quinethazone pharmacophore against gilles_de_la_tourette_syndrome pathway. ephedrine germ_cell_cancer GAP_LOW 0.1167 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs germ_cell_cancer targets. Cross-check ephedrine pharmacophore against germ_cell_cancer pathway. nandrolone_phenpropionate larynx_cancer GAP_LOW 0.1167 0.1111111111111111 docetaxel Low-priority: Computational docking nandrolone_phenpropionate vs larynx_cancer targets. Cross-check nandrolone_phenpropionate pharmacophore against larynx_cancer pathway. vitamin_a kidney_cancer GAP_LOW 0.1167 0.1 docetaxel Low-priority: Computational docking vitamin_a vs kidney_cancer targets. Cross-check vitamin_a pharmacophore against kidney_cancer pathway. prazepam melanoma GAP_LOW 0.1167 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs melanoma targets. Cross-check prazepam pharmacophore against melanoma pathway. trifluridine endogenous_depression GAP_LOW 0.1167 0.09090909090909091 menadione Low-priority: Computational docking trifluridine vs endogenous_depression targets. Cross-check trifluridine pharmacophore against endogenous_depression pathway. indomethacin hepatitis_b GAP_LOW 0.1167 0.08333333333333333 glucosamine Low-priority: Computational docking indomethacin vs hepatitis_b targets. Cross-check indomethacin pharmacophore against hepatitis_b pathway. tamsulosin malaria GAP_LOW 0.1167 0.08333333333333333 sulfamethizole Low-priority: Computational docking tamsulosin vs malaria targets. Cross-check tamsulosin pharmacophore against malaria pathway. nabumetone head_and_neck_cancer GAP_LOW 0.1167 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs head_and_neck_cancer targets. Cross-check nabumetone pharmacophore against head_and_neck_cancer pathway. nabumetone malignant_glioma GAP_LOW 0.1167 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs malignant_glioma targets. Cross-check nabumetone pharmacophore against malignant_glioma pathway. midodrine head_and_neck_cancer GAP_LOW 0.1167 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs head_and_neck_cancer targets. Cross-check midodrine pharmacophore against head_and_neck_cancer pathway. midodrine malignant_glioma GAP_LOW 0.1167 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs malignant_glioma targets. Cross-check midodrine pharmacophore against malignant_glioma pathway. l-asparagine multiple_sclerosis GAP_LOW 0.1167 0.06976744186046512 l-histidine Low-priority: Computational docking l-asparagine vs multiple_sclerosis targets. Cross-check l-asparagine pharmacophore against multiple_sclerosis pathway. enalapril gestational_diabetes GAP_LOW 0.1167 0.058823529411764705 glimepiride Low-priority: Computational docking enalapril vs gestational_diabetes targets. Cross-check enalapril pharmacophore against gestational_diabetes pathway. l-aspartic_acid malignant_mesothelioma GAP_LOW 0.1167 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs malignant_mesothelioma targets. Cross-check l-aspartic_acid pharmacophore against malignant_mesothelioma pathway. l-citrulline type_1_diabetes_mellitus GAP_LOW 0.1167 0.05263157894736842 adenine Low-priority: Computational docking l-citrulline vs type_1_diabetes_mellitus targets. Cross-check l-citrulline pharmacophore against type_1_diabetes_mellitus pathway. calcium_acetate urinary_bladder_cancer GAP_LOW 0.1167 0.04 procaine Low-priority: Computational docking calcium_acetate vs urinary_bladder_cancer targets. Cross-check calcium_acetate pharmacophore against urinary_bladder_cancer pathway. pravastatin peripheral_nervous_system_neoplasm GAP_LOW 0.1167 0.04 phenacemide Low-priority: Computational docking pravastatin vs peripheral_nervous_system_neoplasm targets. Cross-check pravastatin pharmacophore against peripheral_nervous_system_neoplasm pathway. pravastatin urinary_bladder_cancer GAP_LOW 0.1167 0.04 phenacemide Low-priority: Computational docking pravastatin vs urinary_bladder_cancer targets. Cross-check pravastatin pharmacophore against urinary_bladder_cancer pathway. acetic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1167 0.0 mitiglinide Low-priority: Computational docking acetic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check acetic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. amlodipine hepatitis_b GAP_LOW 0.1167 0.0 mitiglinide Low-priority: Computational docking amlodipine vs hepatitis_b targets. Cross-check amlodipine pharmacophore against hepatitis_b pathway. carboprost_tromethamine hepatitis_b GAP_LOW 0.1167 0.0 mitiglinide Low-priority: Computational docking carboprost_tromethamine vs hepatitis_b targets. Cross-check carboprost_tromethamine pharmacophore against hepatitis_b pathway. epoprostenol hepatitis_b GAP_LOW 0.1167 0.0 mitiglinide Low-priority: Computational docking epoprostenol vs hepatitis_b targets. Cross-check epoprostenol pharmacophore against hepatitis_b pathway. phenobarbital primary_biliary_cirrhosis GAP_LOW 0.1167 0.0 hydrocortisone Low-priority: Computational docking phenobarbital vs primary_biliary_cirrhosis targets. Cross-check phenobarbital pharmacophore against primary_biliary_cirrhosis pathway. quazepam primary_biliary_cirrhosis GAP_LOW 0.1167 0.0 hydrocortisone Low-priority: Computational docking quazepam vs primary_biliary_cirrhosis targets. Cross-check quazepam pharmacophore against primary_biliary_cirrhosis pathway. quinestrol acquired_immunodeficiency_syndrome GAP_LOW 0.1167 0.0 mitiglinide Low-priority: Computational docking quinestrol vs acquired_immunodeficiency_syndrome targets. Cross-check quinestrol pharmacophore against acquired_immunodeficiency_syndrome pathway. tetracycline mediastinal_cancer GAP_LOW 0.1167 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs mediastinal_cancer targets. Cross-check tetracycline pharmacophore against mediastinal_cancer pathway. thiamylal primary_biliary_cirrhosis GAP_LOW 0.1167 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs primary_biliary_cirrhosis targets. Cross-check thiamylal pharmacophore against primary_biliary_cirrhosis pathway. amitriptyline hematologic_cancer GAP_HIGH 0.1166 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in hematologic_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) carbinoxamine gout GAP_HIGH 0.1166 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in gout cell model. Expected: similar to alimemazine (Jaccard=0.31) benzphetamine salivary_gland_cancer GAP_HIGH 0.1166 0.28 diphenylpyraline High-priority: Binding assay benzphetamine→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) l-tyrosine larynx_cancer GAP_HIGH 0.1166 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) lidocaine endogenous_depression GAP_HIGH 0.1166 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.21) cyclizine malaria GAP_HIGH 0.1166 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) aceprometazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1166 0.2 isopropamide High-priority: Binding assay aceprometazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.20) arbutamine meningioma GAP_HIGH 0.1166 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.20) crizotinib celiac_disease GAP_HIGH 0.1166 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in celiac_disease cell model. Expected: similar to sorafenib (Jaccard=0.20) drostanolone malignant_mesothelioma GAP_HIGH 0.1166 0.2 fulvestrant High-priority: Binding assay drostanolone→?; validate in malignant_mesothelioma cell model. Expected: similar to fulvestrant (Jaccard=0.20) ergocalciferol atopic_dermatitis GAP_LOW 0.1166 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs atopic_dermatitis targets. Cross-check ergocalciferol pharmacophore against atopic_dermatitis pathway. ergocalciferol breast_cancer GAP_LOW 0.1166 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs breast_cancer targets. Cross-check ergocalciferol pharmacophore against breast_cancer pathway. ergocalciferol colon_cancer GAP_LOW 0.1166 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs colon_cancer targets. Cross-check ergocalciferol pharmacophore against colon_cancer pathway. ergocalciferol stomach_cancer GAP_LOW 0.1166 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs stomach_cancer targets. Cross-check ergocalciferol pharmacophore against stomach_cancer pathway. calcitriol coronary_artery_disease GAP_LOW 0.1166 0.125 zolpidem Low-priority: Computational docking calcitriol vs coronary_artery_disease targets. Cross-check calcitriol pharmacophore against coronary_artery_disease pathway. calcitriol hematologic_cancer GAP_LOW 0.1166 0.125 loteprednol Low-priority: Computational docking calcitriol vs hematologic_cancer targets. Cross-check calcitriol pharmacophore against hematologic_cancer pathway. vitamin_a pancreatitis GAP_LOW 0.1166 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs pancreatitis targets. Cross-check vitamin_a pharmacophore against pancreatitis pathway. dasatinib glaucoma GAP_LOW 0.1166 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs glaucoma targets. Cross-check dasatinib pharmacophore against glaucoma pathway. hydrochlorothiazide sclerosing_cholangitis GAP_LOW 0.1166 0.1111111111111111 dapsone Low-priority: Computational docking hydrochlorothiazide vs sclerosing_cholangitis targets. Cross-check hydrochlorothiazide pharmacophore against sclerosing_cholangitis pathway. isoprenaline leprosy GAP_LOW 0.1166 0.1111111111111111 lenalidomide Low-priority: Computational docking isoprenaline vs leprosy targets. Cross-check isoprenaline pharmacophore against leprosy pathway. calcitriol type_1_diabetes_mellitus GAP_LOW 0.1166 0.1 pasireotide Low-priority: Computational docking calcitriol vs type_1_diabetes_mellitus targets. Cross-check calcitriol pharmacophore against type_1_diabetes_mellitus pathway. afatinib gestational_diabetes GAP_LOW 0.1166 0.09090909090909091 gliclazide Low-priority: Computational docking afatinib vs gestational_diabetes targets. Cross-check afatinib pharmacophore against gestational_diabetes pathway. felypressin ankylosing_spondylitis GAP_LOW 0.1166 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs ankylosing_spondylitis targets. Cross-check felypressin pharmacophore against ankylosing_spondylitis pathway. terlipressin ankylosing_spondylitis GAP_LOW 0.1166 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs ankylosing_spondylitis targets. Cross-check terlipressin pharmacophore against ankylosing_spondylitis pathway. doxapram atherosclerosis GAP_LOW 0.1166 0.07692307692307693 phentermine Low-priority: Computational docking doxapram vs atherosclerosis targets. Cross-check doxapram pharmacophore against atherosclerosis pathway. streptozocin lung_cancer GAP_LOW 0.1166 0.07692307692307693 l-dopa Low-priority: Computational docking streptozocin vs lung_cancer targets. Cross-check streptozocin pharmacophore against lung_cancer pathway. streptozocin rectum_cancer GAP_LOW 0.1166 0.07692307692307693 l-dopa Low-priority: Computational docking streptozocin vs rectum_cancer targets. Cross-check streptozocin pharmacophore against rectum_cancer pathway. chlorphenesin alcohol_dependence GAP_LOW 0.1166 0.0625 levorphanol Low-priority: Computational docking chlorphenesin vs alcohol_dependence targets. Cross-check chlorphenesin pharmacophore against alcohol_dependence pathway. travoprost azoospermia GAP_LOW 0.1166 0.0625 tiaprofenic_acid Low-priority: Computational docking travoprost vs azoospermia targets. Cross-check travoprost pharmacophore against azoospermia pathway. pasireotide refractive_error GAP_LOW 0.1166 0.05555555555555555 droxidopa Low-priority: Computational docking pasireotide vs refractive_error targets. Cross-check pasireotide pharmacophore against refractive_error pathway. l-cysteine type_1_diabetes_mellitus GAP_LOW 0.1166 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs type_1_diabetes_mellitus targets. Cross-check l-cysteine pharmacophore against type_1_diabetes_mellitus pathway. l-cysteine focal_segmental_glomerulosclerosis GAP_LOW 0.1166 0.043478260869565216 calcium_acetate Low-priority: Computational docking l-cysteine vs focal_segmental_glomerulosclerosis targets. Cross-check l-cysteine pharmacophore against focal_segmental_glomerulosclerosis pathway. tauroursodeoxycholic_acid sarcoma GAP_LOW 0.1166 0.027777777777777776 fenoprofen Low-priority: Computational docking tauroursodeoxycholic_acid vs sarcoma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against sarcoma pathway. cinchocaine gestational_diabetes GAP_LOW 0.1166 0.02564102564102564 bezafibrate Low-priority: Computational docking cinchocaine vs gestational_diabetes targets. Cross-check cinchocaine pharmacophore against gestational_diabetes pathway. adenine pagets_disease_of_bone GAP_LOW 0.1166 0.0 ibandronate Low-priority: Computational docking adenine vs pagets_disease_of_bone targets. Cross-check adenine pharmacophore against pagets_disease_of_bone pathway. chlordiazepoxide pagets_disease_of_bone GAP_LOW 0.1166 0.0 ibandronate Low-priority: Computational docking chlordiazepoxide vs pagets_disease_of_bone targets. Cross-check chlordiazepoxide pharmacophore against pagets_disease_of_bone pathway. diphenylpyraline hypothyroidism GAP_LOW 0.1166 0.0 methimazole Low-priority: Computational docking diphenylpyraline vs hypothyroidism targets. Cross-check diphenylpyraline pharmacophore against hypothyroidism pathway. prednisolone pagets_disease_of_bone GAP_LOW 0.1166 0.0 ibandronate Low-priority: Computational docking prednisolone vs pagets_disease_of_bone targets. Cross-check prednisolone pharmacophore against pagets_disease_of_bone pathway. tetracycline thymus_cancer GAP_LOW 0.1166 0.0 hydrocortisone Low-priority: Computational docking tetracycline vs thymus_cancer targets. Cross-check tetracycline pharmacophore against thymus_cancer pathway. thiamylal gout GAP_LOW 0.1166 0.0 methdilazine Low-priority: Computational docking thiamylal vs gout targets. Cross-check thiamylal pharmacophore against gout pathway. tioguanine pagets_disease_of_bone GAP_LOW 0.1166 0.0 ibandronate Low-priority: Computational docking tioguanine vs pagets_disease_of_bone targets. Cross-check tioguanine pharmacophore against pagets_disease_of_bone pathway. topotecan pagets_disease_of_bone GAP_LOW 0.1166 0.0 ibandronate Low-priority: Computational docking topotecan vs pagets_disease_of_bone targets. Cross-check topotecan pharmacophore against pagets_disease_of_bone pathway. toremifene hypothyroidism GAP_LOW 0.1166 0.0 methimazole Low-priority: Computational docking toremifene vs hypothyroidism targets. Cross-check toremifene pharmacophore against hypothyroidism pathway. progesterone esophageal_cancer GAP_HIGH 0.1165 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) phenprocoumon germ_cell_cancer GAP_HIGH 0.1165 0.25 tamoxifen High-priority: Binding assay phenprocoumon→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) ketoprofen refractive_error GAP_HIGH 0.1165 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.22) levorphanol gilles_de_la_tourette_syndrome GAP_HIGH 0.1165 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) testosterone ocular_cancer GAP_HIGH 0.1165 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in ocular_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) lidocaine multiple_sclerosis GAP_HIGH 0.1165 0.21428571428571427 tranylcypromine High-priority: Binding assay lidocaine→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.21) butenafine sclerosing_cholangitis GAP_HIGH 0.1165 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in sclerosing_cholangitis cell model. Expected: similar to naftifine (Jaccard=0.21) alendronate restless_legs_syndrome GAP_HIGH 0.1165 0.2 mirtazapine High-priority: Binding assay alendronate→?; validate in restless_legs_syndrome cell model. Expected: similar to mirtazapine (Jaccard=0.20) testosterone head_and_neck_cancer GAP_HIGH 0.1165 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in head_and_neck_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) testosterone type_1_diabetes_mellitus GAP_HIGH 0.1165 0.17391304347826086 testolactone High-priority: Binding assay testosterone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to testolactone (Jaccard=0.17) flunarizine focal_segmental_glomerulosclerosis GAP_HIGH 0.1165 0.16666666666666666 cyamemazine High-priority: Binding assay flunarizine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cyamemazine (Jaccard=0.17) imipramine nephrolithiasis GAP_HIGH 0.1165 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.17) ospemifene sclerosing_cholangitis GAP_HIGH 0.1165 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in sclerosing_cholangitis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pamidronate chronic_kidney_failure GAP_HIGH 0.1165 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in chronic_kidney_failure cell model. Expected: similar to trifluoperazine (Jaccard=0.17) pimozide chronic_kidney_failure GAP_HIGH 0.1165 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in chronic_kidney_failure cell model. Expected: similar to calcidiol (Jaccard=0.17) pomalidomide lung_cancer GAP_HIGH 0.1165 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in lung_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) pomalidomide rectum_cancer GAP_HIGH 0.1165 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in rectum_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) ergocalciferol allergic_rhinitis GAP_LOW 0.1165 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs allergic_rhinitis targets. Cross-check ergocalciferol pharmacophore against allergic_rhinitis pathway. ergocalciferol bipolar_disorder GAP_LOW 0.1165 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs bipolar_disorder targets. Cross-check ergocalciferol pharmacophore against bipolar_disorder pathway. ergocalciferol pancreatic_cancer GAP_LOW 0.1165 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs pancreatic_cancer targets. Cross-check ergocalciferol pharmacophore against pancreatic_cancer pathway. lapatinib lymphatic_system_cancer GAP_LOW 0.1165 0.14285714285714285 vinblastine Low-priority: Computational docking lapatinib vs lymphatic_system_cancer targets. Cross-check lapatinib pharmacophore against lymphatic_system_cancer pathway. tolazoline mediastinal_cancer GAP_LOW 0.1165 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs mediastinal_cancer targets. Cross-check tolazoline pharmacophore against mediastinal_cancer pathway. gliclazide vaginal_cancer GAP_LOW 0.1165 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs vaginal_cancer targets. Cross-check gliclazide pharmacophore against vaginal_cancer pathway. gliclazide vulva_cancer GAP_LOW 0.1165 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs vulva_cancer targets. Cross-check gliclazide pharmacophore against vulva_cancer pathway. suprofen gestational_diabetes GAP_LOW 0.1165 0.11764705882352941 gliquidone Low-priority: Computational docking suprofen vs gestational_diabetes targets. Cross-check suprofen pharmacophore against gestational_diabetes pathway. crizotinib dilated_cardiomyopathy GAP_LOW 0.1165 0.1111111111111111 ciprofloxacin Low-priority: Computational docking crizotinib vs dilated_cardiomyopathy targets. Cross-check crizotinib pharmacophore against dilated_cardiomyopathy pathway. proparacaine chronic_kidney_failure GAP_LOW 0.1165 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs chronic_kidney_failure targets. Cross-check proparacaine pharmacophore against chronic_kidney_failure pathway. quinacrine refractive_error GAP_LOW 0.1165 0.05 dipivefrin Low-priority: Computational docking quinacrine vs refractive_error targets. Cross-check quinacrine pharmacophore against refractive_error pathway. doxepin urinary_bladder_cancer GAP_HIGH 0.1164 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) pheniramine meningioma GAP_HIGH 0.1164 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.33) estradiol obesity GAP_HIGH 0.1164 0.3181818181818182 progesterone High-priority: Binding assay estradiol→?; validate in obesity cell model. Expected: similar to progesterone (Jaccard=0.32) flurbiprofen mediastinal_cancer GAP_HIGH 0.1164 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in mediastinal_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) aminosalicylic_acid azoospermia GAP_HIGH 0.1164 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) pheniramine esophageal_cancer GAP_HIGH 0.1164 0.3 tamoxifen High-priority: Binding assay pheniramine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) phenoxybenzamine pharynx_cancer GAP_HIGH 0.1164 0.23076923076923078 methadone High-priority: Binding assay phenoxybenzamine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.23) alendronate polycystic_ovary_syndrome GAP_HIGH 0.1164 0.2 diazoxide High-priority: Binding assay alendronate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to diazoxide (Jaccard=0.20) alendronate type_2_diabetes_mellitus GAP_HIGH 0.1164 0.2 diazoxide High-priority: Binding assay alendronate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to diazoxide (Jaccard=0.20) pimozide salivary_gland_cancer GAP_HIGH 0.1164 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in salivary_gland_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) selegiline testicular_cancer GAP_HIGH 0.1164 0.2 topotecan High-priority: Binding assay selegiline→?; validate in testicular_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) selegiline vaginal_cancer GAP_HIGH 0.1164 0.2 topotecan High-priority: Binding assay selegiline→?; validate in vaginal_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) selegiline vulva_cancer GAP_HIGH 0.1164 0.2 topotecan High-priority: Binding assay selegiline→?; validate in vulva_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) zidovudine polycystic_ovary_syndrome GAP_HIGH 0.1164 0.2 amiloride High-priority: Binding assay zidovudine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to amiloride (Jaccard=0.20) zidovudine type_2_diabetes_mellitus GAP_HIGH 0.1164 0.2 amiloride High-priority: Binding assay zidovudine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to amiloride (Jaccard=0.20) droperidol ankylosing_spondylitis GAP_HIGH 0.1164 0.16666666666666666 perphenazine High-priority: Binding assay droperidol→?; validate in ankylosing_spondylitis cell model. Expected: similar to perphenazine (Jaccard=0.17) tripelennamine type_1_diabetes_mellitus GAP_HIGH 0.1164 0.16666666666666666 cyclopentolate High-priority: Binding assay tripelennamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.17) doxylamine refractive_error GAP_LOW 0.1164 0.14285714285714285 metaraminol Low-priority: Computational docking doxylamine vs refractive_error targets. Cross-check doxylamine pharmacophore against refractive_error pathway. ergocalciferol endogenous_depression GAP_LOW 0.1164 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs endogenous_depression targets. Cross-check ergocalciferol pharmacophore against endogenous_depression pathway. tolazoline thymus_cancer GAP_LOW 0.1164 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs thymus_cancer targets. Cross-check tolazoline pharmacophore against thymus_cancer pathway. tretinoin prostate_cancer GAP_LOW 0.1164 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs prostate_cancer targets. Cross-check tretinoin pharmacophore against prostate_cancer pathway. methyclothiazide alzheimers_disease GAP_LOW 0.1164 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs alzheimers_disease targets. Cross-check methyclothiazide pharmacophore against alzheimers_disease pathway. gliclazide testicular_cancer GAP_LOW 0.1164 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs testicular_cancer targets. Cross-check gliclazide pharmacophore against testicular_cancer pathway. doxylamine malaria GAP_LOW 0.1164 0.1111111111111111 modafinil Low-priority: Computational docking doxylamine vs malaria targets. Cross-check doxylamine pharmacophore against malaria pathway. felypressin epilepsy_syndrome GAP_LOW 0.1164 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs epilepsy_syndrome targets. Cross-check felypressin pharmacophore against epilepsy_syndrome pathway. calcitriol malaria GAP_LOW 0.1164 0.07692307692307693 sulfamethizole Low-priority: Computational docking calcitriol vs malaria targets. Cross-check calcitriol pharmacophore against malaria pathway. streptozocin nicotine_dependence GAP_LOW 0.1164 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs nicotine_dependence targets. Cross-check streptozocin pharmacophore against nicotine_dependence pathway. tolbutamide focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.07692307692307693 floctafenine Low-priority: Computational docking tolbutamide vs focal_segmental_glomerulosclerosis targets. Cross-check tolbutamide pharmacophore against focal_segmental_glomerulosclerosis pathway. midodrine celiac_disease GAP_LOW 0.1164 0.07142857142857142 salicylate-sodium Low-priority: Computational docking midodrine vs celiac_disease targets. Cross-check midodrine pharmacophore against celiac_disease pathway. latanoprost focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0625 floctafenine Low-priority: Computational docking latanoprost vs focal_segmental_glomerulosclerosis targets. Cross-check latanoprost pharmacophore against focal_segmental_glomerulosclerosis pathway. anisindione leprosy GAP_LOW 0.1164 0.023255813953488372 phensuximide Low-priority: Computational docking anisindione vs leprosy targets. Cross-check anisindione pharmacophore against leprosy pathway. amiloride focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking amiloride vs focal_segmental_glomerulosclerosis targets. Cross-check amiloride pharmacophore against focal_segmental_glomerulosclerosis pathway. benazepril focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking benazepril vs focal_segmental_glomerulosclerosis targets. Cross-check benazepril pharmacophore against focal_segmental_glomerulosclerosis pathway. candesartan focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking candesartan vs focal_segmental_glomerulosclerosis targets. Cross-check candesartan pharmacophore against focal_segmental_glomerulosclerosis pathway. captopril focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking captopril vs focal_segmental_glomerulosclerosis targets. Cross-check captopril pharmacophore against focal_segmental_glomerulosclerosis pathway. cilazapril focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking cilazapril vs focal_segmental_glomerulosclerosis targets. Cross-check cilazapril pharmacophore against focal_segmental_glomerulosclerosis pathway. fludrocortisone hypothyroidism GAP_LOW 0.1164 0.0 methimazole Low-priority: Computational docking fludrocortisone vs hypothyroidism targets. Cross-check fludrocortisone pharmacophore against hypothyroidism pathway. labetalol focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking labetalol vs focal_segmental_glomerulosclerosis targets. Cross-check labetalol pharmacophore against focal_segmental_glomerulosclerosis pathway. mannitol focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking mannitol vs focal_segmental_glomerulosclerosis targets. Cross-check mannitol pharmacophore against focal_segmental_glomerulosclerosis pathway. olmesartan focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking olmesartan vs focal_segmental_glomerulosclerosis targets. Cross-check olmesartan pharmacophore against focal_segmental_glomerulosclerosis pathway. pravastatin focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking pravastatin vs focal_segmental_glomerulosclerosis targets. Cross-check pravastatin pharmacophore against focal_segmental_glomerulosclerosis pathway. solifenacin focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking solifenacin vs focal_segmental_glomerulosclerosis targets. Cross-check solifenacin pharmacophore against focal_segmental_glomerulosclerosis pathway. spirapril focal_segmental_glomerulosclerosis GAP_LOW 0.1164 0.0 methdilazine Low-priority: Computational docking spirapril vs focal_segmental_glomerulosclerosis targets. Cross-check spirapril pharmacophore against focal_segmental_glomerulosclerosis pathway. flurbiprofen primary_biliary_cirrhosis GAP_HIGH 0.1163 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.31) benzphetamine ocular_cancer GAP_HIGH 0.1163 0.28 diphenylpyraline High-priority: Binding assay benzphetamine→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.28) docetaxel breast_cancer GAP_HIGH 0.1163 0.25 erlotinib High-priority: Binding assay docetaxel→?; validate in breast_cancer cell model. Expected: similar to erlotinib (Jaccard=0.25) docetaxel schizophrenia GAP_HIGH 0.1163 0.25 erlotinib High-priority: Binding assay docetaxel→?; validate in schizophrenia cell model. Expected: similar to erlotinib (Jaccard=0.25) paclitaxel metabolic_syndrome_x GAP_HIGH 0.1163 0.25 glyburide High-priority: Binding assay paclitaxel→?; validate in metabolic_syndrome_x cell model. Expected: similar to glyburide (Jaccard=0.25) ketorolac uterine_fibroid GAP_HIGH 0.1163 0.23529411764705882 bromfenac High-priority: Binding assay ketorolac→?; validate in uterine_fibroid cell model. Expected: similar to bromfenac (Jaccard=0.24) diethylpropion pharynx_cancer GAP_HIGH 0.1163 0.2 nateglinide High-priority: Binding assay diethylpropion→?; validate in pharynx_cancer cell model. Expected: similar to nateglinide (Jaccard=0.20) selegiline vascular_cancer GAP_HIGH 0.1163 0.2 topotecan High-priority: Binding assay selegiline→?; validate in vascular_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) glucosamine esophageal_cancer GAP_HIGH 0.1163 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) pomalidomide liver_cancer GAP_HIGH 0.1163 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in liver_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) ergocalciferol migraine GAP_LOW 0.1163 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs migraine targets. Cross-check ergocalciferol pharmacophore against migraine pathway. ergocalciferol ovarian_cancer GAP_LOW 0.1163 0.14285714285714285 pimozide Low-priority: Computational docking ergocalciferol vs ovarian_cancer targets. Cross-check ergocalciferol pharmacophore against ovarian_cancer pathway. ergocalciferol uterine_cancer GAP_LOW 0.1163 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs uterine_cancer targets. Cross-check ergocalciferol pharmacophore against uterine_cancer pathway. furosemide refractive_error GAP_LOW 0.1163 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs refractive_error targets. Cross-check furosemide pharmacophore against refractive_error pathway. methyclothiazide nicotine_dependence GAP_LOW 0.1163 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs nicotine_dependence targets. Cross-check methyclothiazide pharmacophore against nicotine_dependence pathway. gliclazide vascular_cancer GAP_LOW 0.1163 0.13636363636363635 sunitinib Low-priority: Computational docking gliclazide vs vascular_cancer targets. Cross-check gliclazide pharmacophore against vascular_cancer pathway. tretinoin kidney_cancer GAP_LOW 0.1163 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs kidney_cancer targets. Cross-check tretinoin pharmacophore against kidney_cancer pathway. vitamin_a rectum_cancer GAP_LOW 0.1163 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs rectum_cancer targets. Cross-check vitamin_a pharmacophore against rectum_cancer pathway. zolpidem mediastinal_cancer GAP_LOW 0.1163 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs mediastinal_cancer targets. Cross-check zolpidem pharmacophore against mediastinal_cancer pathway. nilotinib type_1_diabetes_mellitus GAP_LOW 0.1163 0.10526315789473684 gliclazide Low-priority: Computational docking nilotinib vs type_1_diabetes_mellitus targets. Cross-check nilotinib pharmacophore against type_1_diabetes_mellitus pathway. ponatinib larynx_cancer GAP_LOW 0.1163 0.08571428571428572 doxorubicin Low-priority: Computational docking ponatinib vs larynx_cancer targets. Cross-check ponatinib pharmacophore against larynx_cancer pathway. tolbutamide head_and_neck_cancer GAP_LOW 0.1163 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs head_and_neck_cancer targets. Cross-check tolbutamide pharmacophore against head_and_neck_cancer pathway. tolbutamide malignant_glioma GAP_LOW 0.1163 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs malignant_glioma targets. Cross-check tolbutamide pharmacophore against malignant_glioma pathway. midodrine membranous_glomerulonephritis GAP_LOW 0.1163 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs membranous_glomerulonephritis targets. Cross-check midodrine pharmacophore against membranous_glomerulonephritis pathway. l-asparagine pancreatitis GAP_LOW 0.1163 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs pancreatitis targets. Cross-check l-asparagine pharmacophore against pancreatitis pathway. progesterone pagets_disease_of_bone GAP_LOW 0.1163 0.05555555555555555 histamine_phosphate Low-priority: Computational docking progesterone vs pagets_disease_of_bone targets. Cross-check progesterone pharmacophore against pagets_disease_of_bone pathway. midodrine lymphatic_system_cancer GAP_LOW 0.1163 0.04 riboflavin Low-priority: Computational docking midodrine vs lymphatic_system_cancer targets. Cross-check midodrine pharmacophore against lymphatic_system_cancer pathway. pravastatin breast_cancer GAP_LOW 0.1163 0.04 phenacemide Low-priority: Computational docking pravastatin vs breast_cancer targets. Cross-check pravastatin pharmacophore against breast_cancer pathway. pravastatin hypertension GAP_LOW 0.1163 0.04 phenacemide Low-priority: Computational docking pravastatin vs hypertension targets. Cross-check pravastatin pharmacophore against hypertension pathway. l-asparagine brain_cancer GAP_LOW 0.1163 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs brain_cancer targets. Cross-check l-asparagine pharmacophore against brain_cancer pathway. l-asparagine intracranial_aneurysm GAP_LOW 0.1163 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs intracranial_aneurysm targets. Cross-check l-asparagine pharmacophore against intracranial_aneurysm pathway. l-glutamine gestational_diabetes GAP_LOW 0.1163 0.031914893617021274 bezafibrate Low-priority: Computational docking l-glutamine vs gestational_diabetes targets. Cross-check l-glutamine pharmacophore against gestational_diabetes pathway. amiloride gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking amiloride vs gilles_de_la_tourette_syndrome targets. Cross-check amiloride pharmacophore against gilles_de_la_tourette_syndrome pathway. benazepril gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking benazepril vs gilles_de_la_tourette_syndrome targets. Cross-check benazepril pharmacophore against gilles_de_la_tourette_syndrome pathway. candesartan gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking candesartan vs gilles_de_la_tourette_syndrome targets. Cross-check candesartan pharmacophore against gilles_de_la_tourette_syndrome pathway. captopril gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking captopril vs gilles_de_la_tourette_syndrome targets. Cross-check captopril pharmacophore against gilles_de_la_tourette_syndrome pathway. carvedilol gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking carvedilol vs gilles_de_la_tourette_syndrome targets. Cross-check carvedilol pharmacophore against gilles_de_la_tourette_syndrome pathway. mannitol gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking mannitol vs gilles_de_la_tourette_syndrome targets. Cross-check mannitol pharmacophore against gilles_de_la_tourette_syndrome pathway. pravastatin gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking pravastatin vs gilles_de_la_tourette_syndrome targets. Cross-check pravastatin pharmacophore against gilles_de_la_tourette_syndrome pathway. tauroursodeoxycholic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking tauroursodeoxycholic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check tauroursodeoxycholic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. trimethoprim gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking trimethoprim vs gilles_de_la_tourette_syndrome targets. Cross-check trimethoprim pharmacophore against gilles_de_la_tourette_syndrome pathway. vitamin_c gilles_de_la_tourette_syndrome GAP_LOW 0.1163 0.0 loxapine Low-priority: Computational docking vitamin_c vs gilles_de_la_tourette_syndrome targets. Cross-check vitamin_c pharmacophore against gilles_de_la_tourette_syndrome pathway. flurbiprofen thymus_cancer GAP_HIGH 0.1162 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in thymus_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) s-adenosylmethionine systemic_scleroderma GAP_HIGH 0.1162 0.24528301886792453 ribavirin High-priority: Binding assay s-adenosylmethionine→?; validate in systemic_scleroderma cell model. Expected: similar to ribavirin (Jaccard=0.25) testosterone peripheral_nervous_system_neoplasm GAP_HIGH 0.1162 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to drospirenone (Jaccard=0.22) amoxapine malignant_mesothelioma GAP_HIGH 0.1162 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.22) anileridine membranous_glomerulonephritis GAP_HIGH 0.1162 0.18181818181818182 toremifene High-priority: Binding assay anileridine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to toremifene (Jaccard=0.18) dexamethasone alcohol_dependence GAP_HIGH 0.1162 0.18181818181818182 naloxone High-priority: Binding assay dexamethasone→?; validate in alcohol_dependence cell model. Expected: similar to naloxone (Jaccard=0.18) aspartame idiopathic_pulmonary_fibrosis GAP_HIGH 0.1162 0.16666666666666666 selegiline High-priority: Binding assay aspartame→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to selegiline (Jaccard=0.17) ospemifene pharynx_cancer GAP_HIGH 0.1162 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in pharynx_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ethylmorphine meningioma GAP_HIGH 0.1162 0.16 phenylbutazone High-priority: Binding assay ethylmorphine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.16) ergocalciferol sarcoma GAP_LOW 0.1162 0.14285714285714285 paclitaxel Low-priority: Computational docking ergocalciferol vs sarcoma targets. Cross-check ergocalciferol pharmacophore against sarcoma pathway. tretinoin mediastinal_cancer GAP_LOW 0.1162 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs mediastinal_cancer targets. Cross-check tretinoin pharmacophore against mediastinal_cancer pathway. tretinoin primary_biliary_cirrhosis GAP_LOW 0.1162 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs primary_biliary_cirrhosis targets. Cross-check tretinoin pharmacophore against primary_biliary_cirrhosis pathway. chlorthalidone glaucoma GAP_LOW 0.1162 0.13333333333333333 practolol Low-priority: Computational docking chlorthalidone vs glaucoma targets. Cross-check chlorthalidone pharmacophore against glaucoma pathway. alendronate acquired_immunodeficiency_syndrome GAP_LOW 0.1162 0.125 nateglinide Low-priority: Computational docking alendronate vs acquired_immunodeficiency_syndrome targets. Cross-check alendronate pharmacophore against acquired_immunodeficiency_syndrome pathway. paricalcitol gout GAP_LOW 0.1162 0.125 zolpidem Low-priority: Computational docking paricalcitol vs gout targets. Cross-check paricalcitol pharmacophore against gout pathway. ceruletide atopic_dermatitis GAP_LOW 0.1162 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs atopic_dermatitis targets. Cross-check ceruletide pharmacophore against atopic_dermatitis pathway. diethylpropion alcohol_dependence GAP_LOW 0.1162 0.09090909090909091 mazindol Low-priority: Computational docking diethylpropion vs alcohol_dependence targets. Cross-check diethylpropion pharmacophore against alcohol_dependence pathway. telmisartan lymphatic_system_cancer GAP_LOW 0.1162 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs lymphatic_system_cancer targets. Cross-check telmisartan pharmacophore against lymphatic_system_cancer pathway. metolazone gilles_de_la_tourette_syndrome GAP_LOW 0.1162 0.08695652173913043 meclizine Low-priority: Computational docking metolazone vs gilles_de_la_tourette_syndrome targets. Cross-check metolazone pharmacophore against gilles_de_la_tourette_syndrome pathway. prazepam glaucoma GAP_LOW 0.1162 0.06666666666666667 practolol Low-priority: Computational docking prazepam vs glaucoma targets. Cross-check prazepam pharmacophore against glaucoma pathway. streptozocin nephrolithiasis GAP_LOW 0.1162 0.047619047619047616 cinchocaine Low-priority: Computational docking streptozocin vs nephrolithiasis targets. Cross-check streptozocin pharmacophore against nephrolithiasis pathway. l-methionine focal_segmental_glomerulosclerosis GAP_LOW 0.1162 0.043478260869565216 calcium_acetate Low-priority: Computational docking l-methionine vs focal_segmental_glomerulosclerosis targets. Cross-check l-methionine pharmacophore against focal_segmental_glomerulosclerosis pathway. calcium_acetate stomach_cancer GAP_LOW 0.1162 0.04 procaine Low-priority: Computational docking calcium_acetate vs stomach_cancer targets. Cross-check calcium_acetate pharmacophore against stomach_cancer pathway. pravastatin stomach_cancer GAP_LOW 0.1162 0.04 phenacemide Low-priority: Computational docking pravastatin vs stomach_cancer targets. Cross-check pravastatin pharmacophore against stomach_cancer pathway. aciclovir leprosy GAP_LOW 0.1162 0.0 sulfapyridine Low-priority: Computational docking aciclovir vs leprosy targets. Cross-check aciclovir pharmacophore against leprosy pathway. adenosine leprosy GAP_LOW 0.1162 0.0 sulfapyridine Low-priority: Computational docking adenosine vs leprosy targets. Cross-check adenosine pharmacophore against leprosy pathway. calcium_acetate malaria GAP_LOW 0.1162 0.0 ethotoin Low-priority: Computational docking calcium_acetate vs malaria targets. Cross-check calcium_acetate pharmacophore against malaria pathway. desmopressin bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking desmopressin vs bone_cancer targets. Cross-check desmopressin pharmacophore against bone_cancer pathway. desmopressin gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking desmopressin vs gestational_diabetes targets. Cross-check desmopressin pharmacophore against gestational_diabetes pathway. dopamine gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking dopamine vs gestational_diabetes targets. Cross-check dopamine pharmacophore against gestational_diabetes pathway. felypressin bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking felypressin vs bone_cancer targets. Cross-check felypressin pharmacophore against bone_cancer pathway. halazepam bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking halazepam vs bone_cancer targets. Cross-check halazepam pharmacophore against bone_cancer pathway. halazepam gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking halazepam vs gestational_diabetes targets. Cross-check halazepam pharmacophore against gestational_diabetes pathway. indomethacin bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking indomethacin vs bone_cancer targets. Cross-check indomethacin pharmacophore against bone_cancer pathway. mannitol type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking mannitol vs type_1_diabetes_mellitus targets. Cross-check mannitol pharmacophore against type_1_diabetes_mellitus pathway. nicardipine type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs type_1_diabetes_mellitus targets. Cross-check nicardipine pharmacophore against type_1_diabetes_mellitus pathway. nilvadipine type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs type_1_diabetes_mellitus targets. Cross-check nilvadipine pharmacophore against type_1_diabetes_mellitus pathway. norepinephrine gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking norepinephrine vs gestational_diabetes targets. Cross-check norepinephrine pharmacophore against gestational_diabetes pathway. oxyphenonium gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking oxyphenonium vs gestational_diabetes targets. Cross-check oxyphenonium pharmacophore against gestational_diabetes pathway. pasireotide bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking pasireotide vs bone_cancer targets. Cross-check pasireotide pharmacophore against bone_cancer pathway. pravastatin type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs type_1_diabetes_mellitus targets. Cross-check pravastatin pharmacophore against type_1_diabetes_mellitus pathway. tauroursodeoxycholic_acid type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs type_1_diabetes_mellitus targets. Cross-check tauroursodeoxycholic_acid pharmacophore against type_1_diabetes_mellitus pathway. terlipressin bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking terlipressin vs bone_cancer targets. Cross-check terlipressin pharmacophore against bone_cancer pathway. terlipressin gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking terlipressin vs gestational_diabetes targets. Cross-check terlipressin pharmacophore against gestational_diabetes pathway. treprostinil bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking treprostinil vs bone_cancer targets. Cross-check treprostinil pharmacophore against bone_cancer pathway. treprostinil gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking treprostinil vs gestational_diabetes targets. Cross-check treprostinil pharmacophore against gestational_diabetes pathway. trifluridine gestational_diabetes GAP_LOW 0.1162 0.0 tolazamide Low-priority: Computational docking trifluridine vs gestational_diabetes targets. Cross-check trifluridine pharmacophore against gestational_diabetes pathway. vapreotide bone_cancer GAP_LOW 0.1162 0.0 ibandronate Low-priority: Computational docking vapreotide vs bone_cancer targets. Cross-check vapreotide pharmacophore against bone_cancer pathway. vitamin_c type_1_diabetes_mellitus GAP_LOW 0.1162 0.0 hydrocortisone Low-priority: Computational docking vitamin_c vs type_1_diabetes_mellitus targets. Cross-check vitamin_c pharmacophore against type_1_diabetes_mellitus pathway. norethindrone type_1_diabetes_mellitus GAP_HIGH 0.1161 0.2608695652173913 hydrocortisone High-priority: Binding assay norethindrone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.26) methamphetamine sclerosing_cholangitis GAP_HIGH 0.1161 0.24 phenacemide High-priority: Binding assay methamphetamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.24) clodronate chronic_kidney_failure GAP_HIGH 0.1161 0.2 metolazone High-priority: Binding assay clodronate→?; validate in chronic_kidney_failure cell model. Expected: similar to metolazone (Jaccard=0.20) pimozide ocular_cancer GAP_HIGH 0.1161 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in ocular_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) teniposide primary_biliary_cirrhosis GAP_HIGH 0.1161 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to epirubicin (Jaccard=0.20) chlorphenesin penile_cancer GAP_HIGH 0.1161 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in penile_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) ospemifene ankylosing_spondylitis GAP_HIGH 0.1161 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in ankylosing_spondylitis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) naloxone hematologic_cancer GAP_LOW 0.1161 0.14285714285714285 pomalidomide Low-priority: Computational docking naloxone vs hematologic_cancer targets. Cross-check naloxone pharmacophore against hematologic_cancer pathway. tretinoin thymus_cancer GAP_LOW 0.1161 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs thymus_cancer targets. Cross-check tretinoin pharmacophore against thymus_cancer pathway. aceprometazine alcohol_dependence GAP_LOW 0.1161 0.13333333333333333 ethylmorphine Low-priority: Computational docking aceprometazine vs alcohol_dependence targets. Cross-check aceprometazine pharmacophore against alcohol_dependence pathway. chlorpropamide epilepsy_syndrome GAP_LOW 0.1161 0.13333333333333333 telmisartan Low-priority: Computational docking chlorpropamide vs epilepsy_syndrome targets. Cross-check chlorpropamide pharmacophore against epilepsy_syndrome pathway. nabumetone polycystic_ovary_syndrome GAP_LOW 0.1161 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs polycystic_ovary_syndrome targets. Cross-check nabumetone pharmacophore against polycystic_ovary_syndrome pathway. nabumetone type_2_diabetes_mellitus GAP_LOW 0.1161 0.125 dextromethorphan Low-priority: Computational docking nabumetone vs type_2_diabetes_mellitus targets. Cross-check nabumetone pharmacophore against type_2_diabetes_mellitus pathway. paricalcitol coronary_artery_disease GAP_LOW 0.1161 0.125 zolpidem Low-priority: Computational docking paricalcitol vs coronary_artery_disease targets. Cross-check paricalcitol pharmacophore against coronary_artery_disease pathway. vitamin_a liver_cancer GAP_LOW 0.1161 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs liver_cancer targets. Cross-check vitamin_a pharmacophore against liver_cancer pathway. ketazolam idiopathic_pulmonary_fibrosis GAP_LOW 0.1161 0.11764705882352941 ephedrine Low-priority: Computational docking ketazolam vs idiopathic_pulmonary_fibrosis targets. Cross-check ketazolam pharmacophore against idiopathic_pulmonary_fibrosis pathway. alitretinoin larynx_cancer GAP_LOW 0.1161 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs larynx_cancer targets. Cross-check alitretinoin pharmacophore against larynx_cancer pathway. ceruletide allergic_rhinitis GAP_LOW 0.1161 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs allergic_rhinitis targets. Cross-check ceruletide pharmacophore against allergic_rhinitis pathway. theophylline narcolepsy GAP_LOW 0.1161 0.1 nitrazepam Low-priority: Computational docking theophylline vs narcolepsy targets. Cross-check theophylline pharmacophore against narcolepsy pathway. diethylpropion dilated_cardiomyopathy GAP_LOW 0.1161 0.09523809523809523 drospirenone Low-priority: Computational docking diethylpropion vs dilated_cardiomyopathy targets. Cross-check diethylpropion pharmacophore against dilated_cardiomyopathy pathway. tolbutamide refractive_error GAP_LOW 0.1161 0.08333333333333333 aminosalicylic_acid Low-priority: Computational docking tolbutamide vs refractive_error targets. Cross-check tolbutamide pharmacophore against refractive_error pathway. vapreotide membranous_glomerulonephritis GAP_LOW 0.1161 0.07142857142857142 ergocalciferol Low-priority: Computational docking vapreotide vs membranous_glomerulonephritis targets. Cross-check vapreotide pharmacophore against membranous_glomerulonephritis pathway. zafirlukast lymphatic_system_cancer GAP_LOW 0.1161 0.07142857142857142 aciclovir Low-priority: Computational docking zafirlukast vs lymphatic_system_cancer targets. Cross-check zafirlukast pharmacophore against lymphatic_system_cancer pathway. glucosamine bone_cancer GAP_LOW 0.1161 0.06666666666666667 tetrahydrofolic_acid Low-priority: Computational docking glucosamine vs bone_cancer targets. Cross-check glucosamine pharmacophore against bone_cancer pathway. terlipressin azoospermia GAP_LOW 0.1161 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs azoospermia targets. Cross-check terlipressin pharmacophore against azoospermia pathway. terlipressin brain_cancer GAP_LOW 0.1161 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs brain_cancer targets. Cross-check terlipressin pharmacophore against brain_cancer pathway. terlipressin intracranial_aneurysm GAP_LOW 0.1161 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs intracranial_aneurysm targets. Cross-check terlipressin pharmacophore against intracranial_aneurysm pathway. l-aspartic_acid meningioma GAP_LOW 0.1161 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs meningioma targets. Cross-check l-aspartic_acid pharmacophore against meningioma pathway. pravastatin pancreatic_cancer GAP_LOW 0.1161 0.04 phenacemide Low-priority: Computational docking pravastatin vs pancreatic_cancer targets. Cross-check pravastatin pharmacophore against pancreatic_cancer pathway. amlodipine larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking amlodipine vs larynx_cancer targets. Cross-check amlodipine pharmacophore against larynx_cancer pathway. amodiaquine larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking amodiaquine vs larynx_cancer targets. Cross-check amodiaquine pharmacophore against larynx_cancer pathway. cabazitaxel pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking cabazitaxel vs pagets_disease_of_bone targets. Cross-check cabazitaxel pharmacophore against pagets_disease_of_bone pathway. carboprost_tromethamine larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking carboprost_tromethamine vs larynx_cancer targets. Cross-check carboprost_tromethamine pharmacophore against larynx_cancer pathway. clozapine pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking clozapine vs pagets_disease_of_bone targets. Cross-check clozapine pharmacophore against pagets_disease_of_bone pathway. conivaptan larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking conivaptan vs larynx_cancer targets. Cross-check conivaptan pharmacophore against larynx_cancer pathway. epoprostenol larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking epoprostenol vs larynx_cancer targets. Cross-check epoprostenol pharmacophore against larynx_cancer pathway. eprosartan larynx_cancer GAP_LOW 0.1161 0.0 vinblastine Low-priority: Computational docking eprosartan vs larynx_cancer targets. Cross-check eprosartan pharmacophore against larynx_cancer pathway. levonordefrin pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking levonordefrin vs pagets_disease_of_bone targets. Cross-check levonordefrin pharmacophore against pagets_disease_of_bone pathway. methadone hypothyroidism GAP_LOW 0.1161 0.0 methimazole Low-priority: Computational docking methadone vs hypothyroidism targets. Cross-check methadone pharmacophore against hypothyroidism pathway. methotrexate pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking methotrexate vs pagets_disease_of_bone targets. Cross-check methotrexate pharmacophore against pagets_disease_of_bone pathway. methylprednisolone pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking methylprednisolone vs pagets_disease_of_bone targets. Cross-check methylprednisolone pharmacophore against pagets_disease_of_bone pathway. paclitaxel pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking paclitaxel vs pagets_disease_of_bone targets. Cross-check paclitaxel pharmacophore against pagets_disease_of_bone pathway. prochlorperazine pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking prochlorperazine vs pagets_disease_of_bone targets. Cross-check prochlorperazine pharmacophore against pagets_disease_of_bone pathway. temazepam pagets_disease_of_bone GAP_LOW 0.1161 0.0 ibandronate Low-priority: Computational docking temazepam vs pagets_disease_of_bone targets. Cross-check temazepam pharmacophore against pagets_disease_of_bone pathway. alimemazine peripheral_nervous_system_neoplasm GAP_HIGH 0.116 0.3333333333333333 tamoxifen High-priority: Binding assay alimemazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.33) reboxetine uterine_fibroid GAP_HIGH 0.116 0.3333333333333333 cyclopentolate High-priority: Binding assay reboxetine→?; validate in uterine_fibroid cell model. Expected: similar to cyclopentolate (Jaccard=0.33) etoricoxib epilepsy_syndrome GAP_HIGH 0.116 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in epilepsy_syndrome cell model. Expected: similar to quinethazone (Jaccard=0.31) droxidopa germ_cell_cancer GAP_HIGH 0.116 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) fludiazepam sarcoma GAP_HIGH 0.116 0.28125 chlorcyclizine High-priority: Binding assay fludiazepam→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.28) methotrexate ankylosing_spondylitis GAP_HIGH 0.116 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in ankylosing_spondylitis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) docetaxel osteoporosis GAP_HIGH 0.116 0.25 lidocaine High-priority: Binding assay docetaxel→?; validate in osteoporosis cell model. Expected: similar to lidocaine (Jaccard=0.25) testosterone systemic_scleroderma GAP_HIGH 0.116 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in systemic_scleroderma cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) loteprednol penile_cancer GAP_HIGH 0.116 0.21428571428571427 amcinonide High-priority: Binding assay loteprednol→?; validate in penile_cancer cell model. Expected: similar to amcinonide (Jaccard=0.21) tranylcypromine malignant_mesothelioma GAP_HIGH 0.116 0.2 warfarin High-priority: Binding assay tranylcypromine→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.20) calcipotriol creutzfeldt-jakob_disease GAP_LOW 0.116 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs creutzfeldt-jakob_disease targets. Cross-check calcipotriol pharmacophore against creutzfeldt-jakob_disease pathway. imipramine lymphatic_system_cancer GAP_LOW 0.116 0.125 aciclovir Low-priority: Computational docking imipramine vs lymphatic_system_cancer targets. Cross-check imipramine pharmacophore against lymphatic_system_cancer pathway. hydrochlorothiazide chronic_obstructive_pulmonary_disease GAP_LOW 0.116 0.1111111111111111 ritodrine Low-priority: Computational docking hydrochlorothiazide vs chronic_obstructive_pulmonary_disease targets. Cross-check hydrochlorothiazide pharmacophore against chronic_obstructive_pulmonary_disease pathway. ceruletide psoriasis GAP_LOW 0.116 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs psoriasis targets. Cross-check ceruletide pharmacophore against psoriasis pathway. prazepam pharynx_cancer GAP_LOW 0.116 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs pharynx_cancer targets. Cross-check prazepam pharmacophore against pharynx_cancer pathway. chlorpropamide esophageal_cancer GAP_LOW 0.116 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs esophageal_cancer targets. Cross-check chlorpropamide pharmacophore against esophageal_cancer pathway. amoxapine bone_cancer GAP_LOW 0.116 0.08333333333333333 alendronate Low-priority: Computational docking amoxapine vs bone_cancer targets. Cross-check amoxapine pharmacophore against bone_cancer pathway. difenoxin gestational_diabetes GAP_LOW 0.116 0.06666666666666667 tolbutamide Low-priority: Computational docking difenoxin vs gestational_diabetes targets. Cross-check difenoxin pharmacophore against gestational_diabetes pathway. treprostinil type_1_diabetes_mellitus GAP_LOW 0.116 0.05555555555555555 methyldopa Low-priority: Computational docking treprostinil vs type_1_diabetes_mellitus targets. Cross-check treprostinil pharmacophore against type_1_diabetes_mellitus pathway. travoprost type_1_diabetes_mellitus GAP_LOW 0.116 0.05263157894736842 bromfenac Low-priority: Computational docking travoprost vs type_1_diabetes_mellitus targets. Cross-check travoprost pharmacophore against type_1_diabetes_mellitus pathway. drostanolone leprosy GAP_LOW 0.116 0.043478260869565216 menadione Low-priority: Computational docking drostanolone vs leprosy targets. Cross-check drostanolone pharmacophore against leprosy pathway. l-arginine chronic_kidney_failure GAP_LOW 0.116 0.043478260869565216 acetylsalicylic_acid Low-priority: Computational docking l-arginine vs chronic_kidney_failure targets. Cross-check l-arginine pharmacophore against chronic_kidney_failure pathway. pravastatin multiple_sclerosis GAP_LOW 0.116 0.04 phenacemide Low-priority: Computational docking pravastatin vs multiple_sclerosis targets. Cross-check pravastatin pharmacophore against multiple_sclerosis pathway. pravastatin osteoporosis GAP_LOW 0.116 0.04 phenacemide Low-priority: Computational docking pravastatin vs osteoporosis targets. Cross-check pravastatin pharmacophore against osteoporosis pathway. pravastatin ovarian_cancer GAP_LOW 0.116 0.04 phenacemide Low-priority: Computational docking pravastatin vs ovarian_cancer targets. Cross-check pravastatin pharmacophore against ovarian_cancer pathway. pravastatin uterine_cancer GAP_LOW 0.116 0.04 phenacemide Low-priority: Computational docking pravastatin vs uterine_cancer targets. Cross-check pravastatin pharmacophore against uterine_cancer pathway. sulpiride prostate_cancer GAP_LOW 0.116 0.04 trimipramine Low-priority: Computational docking sulpiride vs prostate_cancer targets. Cross-check sulpiride pharmacophore against prostate_cancer pathway. flurbiprofen muscle_cancer GAP_HIGH 0.1159 0.3235294117647059 azelastine High-priority: Binding assay flurbiprofen→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.32) zuclopenthixol malignant_mesothelioma GAP_HIGH 0.1159 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.32) salicylic_acid crohns_disease GAP_HIGH 0.1159 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in crohns_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) paclitaxel obesity GAP_HIGH 0.1159 0.25 glyburide High-priority: Binding assay paclitaxel→?; validate in obesity cell model. Expected: similar to glyburide (Jaccard=0.25) arbutamine prostate_cancer GAP_HIGH 0.1159 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) atropine refractive_error GAP_HIGH 0.1159 0.2 metaraminol High-priority: Binding assay atropine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) cinnarizine esophageal_cancer GAP_HIGH 0.1159 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in esophageal_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) zidovudine psoriatic_arthritis GAP_HIGH 0.1159 0.2 amiloride High-priority: Binding assay zidovudine→?; validate in psoriatic_arthritis cell model. Expected: similar to amiloride (Jaccard=0.20) alendronate hematologic_cancer GAP_HIGH 0.1159 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in hematologic_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.18) alendronate narcolepsy GAP_HIGH 0.1159 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in narcolepsy cell model. Expected: similar to trifluoperazine (Jaccard=0.18) alvimopan celiac_disease GAP_HIGH 0.1159 0.18181818181818182 atomoxetine High-priority: Binding assay alvimopan→?; validate in celiac_disease cell model. Expected: similar to atomoxetine (Jaccard=0.18) chlorphenesin malignant_mesothelioma GAP_HIGH 0.1159 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in malignant_mesothelioma cell model. Expected: similar to pantoprazole (Jaccard=0.17) ospemifene chronic_obstructive_pulmonary_disease GAP_HIGH 0.1159 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene thyroid_cancer GAP_HIGH 0.1159 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in thyroid_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) azacitidine brain_cancer GAP_LOW 0.1159 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs brain_cancer targets. Cross-check azacitidine pharmacophore against brain_cancer pathway. azacitidine intracranial_aneurysm GAP_LOW 0.1159 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs intracranial_aneurysm targets. Cross-check azacitidine pharmacophore against intracranial_aneurysm pathway. chlorpropamide germ_cell_cancer GAP_LOW 0.1159 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs germ_cell_cancer targets. Cross-check chlorpropamide pharmacophore against germ_cell_cancer pathway. gliclazide hematologic_cancer GAP_LOW 0.1159 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs hematologic_cancer targets. Cross-check gliclazide pharmacophore against hematologic_cancer pathway. gliclazide narcolepsy GAP_LOW 0.1159 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs narcolepsy targets. Cross-check gliclazide pharmacophore against narcolepsy pathway. ceruletide multiple_sclerosis GAP_LOW 0.1159 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs multiple_sclerosis targets. Cross-check ceruletide pharmacophore against multiple_sclerosis pathway. paricalcitol type_1_diabetes_mellitus GAP_LOW 0.1159 0.1 pasireotide Low-priority: Computational docking paricalcitol vs type_1_diabetes_mellitus targets. Cross-check paricalcitol pharmacophore against type_1_diabetes_mellitus pathway. tolbutamide narcolepsy GAP_LOW 0.1159 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs narcolepsy targets. Cross-check tolbutamide pharmacophore against narcolepsy pathway. colchicine hematologic_cancer GAP_LOW 0.1159 0.09090909090909091 tretinoin Low-priority: Computational docking colchicine vs hematologic_cancer targets. Cross-check colchicine pharmacophore against hematologic_cancer pathway. colchicine narcolepsy GAP_LOW 0.1159 0.09090909090909091 l-arginine Low-priority: Computational docking colchicine vs narcolepsy targets. Cross-check colchicine pharmacophore against narcolepsy pathway. agomelatine hepatitis_b GAP_LOW 0.1159 0.08333333333333333 alvimopan Low-priority: Computational docking agomelatine vs hepatitis_b targets. Cross-check agomelatine pharmacophore against hepatitis_b pathway. terlipressin lung_cancer GAP_LOW 0.1159 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs lung_cancer targets. Cross-check terlipressin pharmacophore against lung_cancer pathway. terlipressin rectum_cancer GAP_LOW 0.1159 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs rectum_cancer targets. Cross-check terlipressin pharmacophore against rectum_cancer pathway. treprostinil melanoma GAP_LOW 0.1159 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs melanoma targets. Cross-check treprostinil pharmacophore against melanoma pathway. ribavirin dilated_cardiomyopathy GAP_LOW 0.1159 0.058823529411764705 milrinone Low-priority: Computational docking ribavirin vs dilated_cardiomyopathy targets. Cross-check ribavirin pharmacophore against dilated_cardiomyopathy pathway. pravastatin sarcoma GAP_LOW 0.1159 0.04 phenacemide Low-priority: Computational docking pravastatin vs sarcoma targets. Cross-check pravastatin pharmacophore against sarcoma pathway. imatinib alcohol_dependence GAP_LOW 0.1159 0.03225806451612903 naloxone Low-priority: Computational docking imatinib vs alcohol_dependence targets. Cross-check imatinib pharmacophore against alcohol_dependence pathway. l-asparagine type_1_diabetes_mellitus GAP_LOW 0.1159 0.029411764705882353 rimexolone Low-priority: Computational docking l-asparagine vs type_1_diabetes_mellitus targets. Cross-check l-asparagine pharmacophore against type_1_diabetes_mellitus pathway. losartan membranous_glomerulonephritis GAP_LOW 0.1159 0.0 methdilazine Low-priority: Computational docking losartan vs membranous_glomerulonephritis targets. Cross-check losartan pharmacophore against membranous_glomerulonephritis pathway. clomipramine muscle_cancer GAP_HIGH 0.1158 0.39285714285714285 azelastine High-priority: Binding assay clomipramine→?; validate in muscle_cancer cell model. Expected: similar to azelastine (Jaccard=0.39) amitriptyline melanoma GAP_HIGH 0.1158 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in melanoma cell model. Expected: similar to reboxetine (Jaccard=0.33) pheniramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1158 0.3333333333333333 diphenhydramine High-priority: Binding assay pheniramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.33) naftifine malaria GAP_HIGH 0.1158 0.2571428571428571 modafinil High-priority: Binding assay naftifine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.26) indecainide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1158 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to penbutolol (Jaccard=0.25) bevantolol malignant_mesothelioma GAP_HIGH 0.1158 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in malignant_mesothelioma cell model. Expected: similar to clotrimazole (Jaccard=0.24) cinnarizine prostate_cancer GAP_HIGH 0.1158 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in prostate_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) phenoxybenzamine salivary_gland_cancer GAP_HIGH 0.1158 0.23076923076923078 methadone High-priority: Binding assay phenoxybenzamine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.23) gemcitabine gout GAP_HIGH 0.1158 0.2222222222222222 methotrexate High-priority: Binding assay gemcitabine→?; validate in gout cell model. Expected: similar to methotrexate (Jaccard=0.22) estazolam vascular_cancer GAP_HIGH 0.1158 0.2 chlorpromazine High-priority: Binding assay estazolam→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.20) fulvestrant azoospermia GAP_HIGH 0.1158 0.2 dienestrol High-priority: Binding assay fulvestrant→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.20) mestranol azoospermia GAP_HIGH 0.1158 0.2 dienestrol High-priority: Binding assay mestranol→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.20) olanzapine schizophrenia GAP_HIGH 0.1158 0.2 zuclopenthixol High-priority: Binding assay olanzapine→?; validate in schizophrenia cell model. Expected: similar to zuclopenthixol (Jaccard=0.20) pimozide peripheral_nervous_system_neoplasm GAP_HIGH 0.1158 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to diclofenamide (Jaccard=0.20) modafinil leprosy GAP_HIGH 0.1158 0.18518518518518517 phenmetrazine High-priority: Binding assay modafinil→?; validate in leprosy cell model. Expected: similar to phenmetrazine (Jaccard=0.19) alendronate celiac_disease GAP_HIGH 0.1158 0.16666666666666666 etoricoxib High-priority: Binding assay alendronate→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.17) clonidine acquired_immunodeficiency_syndrome GAP_HIGH 0.1158 0.16666666666666666 alvimopan High-priority: Binding assay clonidine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.17) ethylmorphine duodenum_cancer GAP_HIGH 0.1158 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) ethylmorphine gallbladder_cancer GAP_HIGH 0.1158 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) etoricoxib bone_cancer GAP_HIGH 0.1158 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in bone_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) ergocalciferol osteoarthritis GAP_LOW 0.1158 0.14285714285714285 zolpidem Low-priority: Computational docking ergocalciferol vs osteoarthritis targets. Cross-check ergocalciferol pharmacophore against osteoarthritis pathway. prednisolone alcohol_dependence GAP_LOW 0.1158 0.14285714285714285 levorphanol Low-priority: Computational docking prednisolone vs alcohol_dependence targets. Cross-check prednisolone pharmacophore against alcohol_dependence pathway. calcitriol melanoma GAP_LOW 0.1158 0.125 loteprednol Low-priority: Computational docking calcitriol vs melanoma targets. Cross-check calcitriol pharmacophore against melanoma pathway. gliclazide nicotine_dependence GAP_LOW 0.1158 0.125 naloxone Low-priority: Computational docking gliclazide vs nicotine_dependence targets. Cross-check gliclazide pharmacophore against nicotine_dependence pathway. codeine pharynx_cancer GAP_LOW 0.1158 0.12 phenylbutazone Low-priority: Computational docking codeine vs pharynx_cancer targets. Cross-check codeine pharmacophore against pharynx_cancer pathway. prazepam thyroid_cancer GAP_LOW 0.1158 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs thyroid_cancer targets. Cross-check prazepam pharmacophore against thyroid_cancer pathway. felypressin alzheimers_disease GAP_LOW 0.1158 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs alzheimers_disease targets. Cross-check felypressin pharmacophore against alzheimers_disease pathway. felypressin parkinsons_disease GAP_LOW 0.1158 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs parkinsons_disease targets. Cross-check felypressin pharmacophore against parkinsons_disease pathway. terlipressin liver_cancer GAP_LOW 0.1158 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs liver_cancer targets. Cross-check terlipressin pharmacophore against liver_cancer pathway. terlipressin parkinsons_disease GAP_LOW 0.1158 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs parkinsons_disease targets. Cross-check terlipressin pharmacophore against parkinsons_disease pathway. aminocaproic_acid alopecia_areata GAP_LOW 0.1158 0.03333333333333333 medrysone Low-priority: Computational docking aminocaproic_acid vs alopecia_areata targets. Cross-check aminocaproic_acid pharmacophore against alopecia_areata pathway. ospemifene gestational_diabetes GAP_LOW 0.1158 0.030303030303030304 bezafibrate Low-priority: Computational docking ospemifene vs gestational_diabetes targets. Cross-check ospemifene pharmacophore against gestational_diabetes pathway. captopril membranous_glomerulonephritis GAP_LOW 0.1158 0.015625 adenosine_monophosphate Low-priority: Computational docking captopril vs membranous_glomerulonephritis targets. Cross-check captopril pharmacophore against membranous_glomerulonephritis pathway. dextropropoxyphene glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking dextropropoxyphene vs glaucoma targets. Cross-check dextropropoxyphene pharmacophore against glaucoma pathway. flutamide glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking flutamide vs glaucoma targets. Cross-check flutamide pharmacophore against glaucoma pathway. mannitol glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking mannitol vs glaucoma targets. Cross-check mannitol pharmacophore against glaucoma pathway. nitisinone glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking nitisinone vs glaucoma targets. Cross-check nitisinone pharmacophore against glaucoma pathway. olmesartan glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking olmesartan vs glaucoma targets. Cross-check olmesartan pharmacophore against glaucoma pathway. pravastatin glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking pravastatin vs glaucoma targets. Cross-check pravastatin pharmacophore against glaucoma pathway. tauroursodeoxycholic_acid glaucoma GAP_LOW 0.1158 0.0 pirbuterol Low-priority: Computational docking tauroursodeoxycholic_acid vs glaucoma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against glaucoma pathway. pirenzepine melanoma GAP_HIGH 0.1157 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.30) ethinyl_estradiol pharynx_cancer GAP_HIGH 0.1157 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in pharynx_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) isoprenaline creutzfeldt-jakob_disease GAP_HIGH 0.1157 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.29) loxapine malignant_mesothelioma GAP_HIGH 0.1157 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) pargyline sclerosing_cholangitis GAP_HIGH 0.1157 0.25925925925925924 phenacemide High-priority: Binding assay pargyline→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.26) brompheniramine germ_cell_cancer GAP_HIGH 0.1157 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) methamphetamine primary_biliary_cirrhosis GAP_HIGH 0.1157 0.23076923076923078 mitiglinide High-priority: Binding assay methamphetamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.23) testosterone hypertension GAP_HIGH 0.1157 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in hypertension cell model. Expected: similar to drospirenone (Jaccard=0.22) arbutamine mediastinal_cancer GAP_HIGH 0.1157 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) diethylpropion salivary_gland_cancer GAP_HIGH 0.1157 0.2 nateglinide High-priority: Binding assay diethylpropion→?; validate in salivary_gland_cancer cell model. Expected: similar to nateglinide (Jaccard=0.20) epirubicin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1157 0.2 trovafloxacin High-priority: Binding assay epirubicin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to trovafloxacin (Jaccard=0.20) lidocaine crohns_disease GAP_HIGH 0.1157 0.1875 sulfanilamide High-priority: Binding assay lidocaine→?; validate in crohns_disease cell model. Expected: similar to sulfanilamide (Jaccard=0.19) anisotropine_methylbromide osteoporosis GAP_HIGH 0.1157 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in osteoporosis cell model. Expected: similar to heroin (Jaccard=0.17) pomalidomide asthma GAP_HIGH 0.1157 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in asthma cell model. Expected: similar to olsalazine (Jaccard=0.17) telmisartan hypertension GAP_HIGH 0.1157 0.16666666666666666 solifenacin High-priority: Binding assay telmisartan→?; validate in hypertension cell model. Expected: similar to solifenacin (Jaccard=0.17) oxybuprocaine atherosclerosis GAP_LOW 0.1157 0.15 clofibrate Low-priority: Computational docking oxybuprocaine vs atherosclerosis targets. Cross-check oxybuprocaine pharmacophore against atherosclerosis pathway. methyclothiazide breast_cancer GAP_LOW 0.1157 0.1388888888888889 fenoprofen Low-priority: Computational docking methyclothiazide vs breast_cancer targets. Cross-check methyclothiazide pharmacophore against breast_cancer pathway. indapamide atherosclerosis GAP_LOW 0.1157 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs atherosclerosis targets. Cross-check indapamide pharmacophore against atherosclerosis pathway. azacitidine esophageal_cancer GAP_LOW 0.1157 0.10526315789473684 gemcitabine Low-priority: Computational docking azacitidine vs esophageal_cancer targets. Cross-check azacitidine pharmacophore against esophageal_cancer pathway. ritodrine type_1_diabetes_mellitus GAP_LOW 0.1157 0.10526315789473684 carbidopa Low-priority: Computational docking ritodrine vs type_1_diabetes_mellitus targets. Cross-check ritodrine pharmacophore against type_1_diabetes_mellitus pathway. ceruletide systemic_lupus_erythematosus GAP_LOW 0.1157 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs systemic_lupus_erythematosus targets. Cross-check ceruletide pharmacophore against systemic_lupus_erythematosus pathway. melatonin kidney_cancer GAP_LOW 0.1157 0.09090909090909091 spironolactone Low-priority: Computational docking melatonin vs kidney_cancer targets. Cross-check melatonin pharmacophore against kidney_cancer pathway. felypressin amyotrophic_lateral_sclerosis GAP_LOW 0.1157 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs amyotrophic_lateral_sclerosis targets. Cross-check felypressin pharmacophore against amyotrophic_lateral_sclerosis pathway. felypressin autistic_disorder GAP_LOW 0.1157 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs autistic_disorder targets. Cross-check felypressin pharmacophore against autistic_disorder pathway. terlipressin amyotrophic_lateral_sclerosis GAP_LOW 0.1157 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs amyotrophic_lateral_sclerosis targets. Cross-check terlipressin pharmacophore against amyotrophic_lateral_sclerosis pathway. streptozocin pancreatic_cancer GAP_LOW 0.1157 0.07692307692307693 l-dopa Low-priority: Computational docking streptozocin vs pancreatic_cancer targets. Cross-check streptozocin pharmacophore against pancreatic_cancer pathway. practolol dilated_cardiomyopathy GAP_LOW 0.1157 0.06666666666666667 trandolapril Low-priority: Computational docking practolol vs dilated_cardiomyopathy targets. Cross-check practolol pharmacophore against dilated_cardiomyopathy pathway. travoprost esophageal_cancer GAP_LOW 0.1157 0.05 fluoxymesterone Low-priority: Computational docking travoprost vs esophageal_cancer targets. Cross-check travoprost pharmacophore against esophageal_cancer pathway. aminocaproic_acid head_and_neck_cancer GAP_LOW 0.1157 0.045454545454545456 topotecan Low-priority: Computational docking aminocaproic_acid vs head_and_neck_cancer targets. Cross-check aminocaproic_acid pharmacophore against head_and_neck_cancer pathway. aminocaproic_acid malignant_glioma GAP_LOW 0.1157 0.045454545454545456 topotecan Low-priority: Computational docking aminocaproic_acid vs malignant_glioma targets. Cross-check aminocaproic_acid pharmacophore against malignant_glioma pathway. l-asparagine celiac_disease GAP_LOW 0.1157 0.03571428571428571 anisotropine_methylbromide Low-priority: Computational docking l-asparagine vs celiac_disease targets. Cross-check l-asparagine pharmacophore against celiac_disease pathway. cinchocaine alcohol_dependence GAP_LOW 0.1157 0.03333333333333333 levorphanol Low-priority: Computational docking cinchocaine vs alcohol_dependence targets. Cross-check cinchocaine pharmacophore against alcohol_dependence pathway. l-methionine hepatitis_b GAP_LOW 0.1157 0.022727272727272728 trifluridine Low-priority: Computational docking l-methionine vs hepatitis_b targets. Cross-check l-methionine pharmacophore against hepatitis_b pathway. doxepin sarcoma GAP_HIGH 0.1156 0.3333333333333333 reboxetine High-priority: Binding assay doxepin→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.33) perphenazine mediastinal_cancer GAP_HIGH 0.1156 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) erlotinib duodenum_cancer GAP_HIGH 0.1156 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in duodenum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) erlotinib gallbladder_cancer GAP_HIGH 0.1156 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in gallbladder_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) azelastine malignant_mesothelioma GAP_HIGH 0.1156 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) isopropamide penile_cancer GAP_HIGH 0.1156 0.2631578947368421 phenylbutazone High-priority: Binding assay isopropamide→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.26) docetaxel metabolic_syndrome_x GAP_HIGH 0.1156 0.25 carvedilol High-priority: Binding assay docetaxel→?; validate in metabolic_syndrome_x cell model. Expected: similar to carvedilol (Jaccard=0.25) procaine creutzfeldt-jakob_disease GAP_HIGH 0.1156 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.25) methamphetamine ankylosing_spondylitis GAP_HIGH 0.1156 0.24 phenacemide High-priority: Binding assay methamphetamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.24) crizotinib pancreatic_cancer GAP_HIGH 0.1156 0.23529411764705882 pazopanib High-priority: Binding assay crizotinib→?; validate in pancreatic_cancer cell model. Expected: similar to pazopanib (Jaccard=0.24) cinnarizine mediastinal_cancer GAP_HIGH 0.1156 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) doxorubicin kidney_cancer GAP_HIGH 0.1156 0.23076923076923078 epirubicin High-priority: Binding assay doxorubicin→?; validate in kidney_cancer cell model. Expected: similar to epirubicin (Jaccard=0.23) s-adenosylmethionine thyroid_cancer GAP_HIGH 0.1156 0.22641509433962265 clofarabine High-priority: Binding assay s-adenosylmethionine→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.23) arbutamine thymus_cancer GAP_HIGH 0.1156 0.2 etoricoxib High-priority: Binding assay arbutamine→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) nitrazepam refractive_error GAP_HIGH 0.1156 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in refractive_error cell model. Expected: similar to practolol (Jaccard=0.18) ospemifene pancreatitis GAP_HIGH 0.1156 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in pancreatitis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene salivary_gland_cancer GAP_HIGH 0.1156 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in salivary_gland_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pomalidomide allergic_rhinitis GAP_HIGH 0.1156 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in allergic_rhinitis cell model. Expected: similar to olsalazine (Jaccard=0.17) phenylephrine esophageal_cancer GAP_LOW 0.1156 0.1111111111111111 topotecan Low-priority: Computational docking phenylephrine vs esophageal_cancer targets. Cross-check phenylephrine pharmacophore against esophageal_cancer pathway. terlipressin urinary_bladder_cancer GAP_LOW 0.1156 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs urinary_bladder_cancer targets. Cross-check terlipressin pharmacophore against urinary_bladder_cancer pathway. streptozocin ulcerative_colitis GAP_LOW 0.1156 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking streptozocin vs ulcerative_colitis targets. Cross-check streptozocin pharmacophore against ulcerative_colitis pathway. proparacaine lymphatic_system_cancer GAP_LOW 0.1156 0.07142857142857142 nelarabine Low-priority: Computational docking proparacaine vs lymphatic_system_cancer targets. Cross-check proparacaine pharmacophore against lymphatic_system_cancer pathway. chlorphenesin dilated_cardiomyopathy GAP_LOW 0.1156 0.0625 rimexolone Low-priority: Computational docking chlorphenesin vs dilated_cardiomyopathy targets. Cross-check chlorphenesin pharmacophore against dilated_cardiomyopathy pathway. l-aspartic_acid thyroid_cancer GAP_LOW 0.1156 0.0625 dextrothyroxine Low-priority: Computational docking l-aspartic_acid vs thyroid_cancer targets. Cross-check l-aspartic_acid pharmacophore against thyroid_cancer pathway. streptozocin gout GAP_LOW 0.1156 0.0625 salsalate Low-priority: Computational docking streptozocin vs gout targets. Cross-check streptozocin pharmacophore against gout pathway. desmopressin malaria GAP_LOW 0.1156 0.058823529411764705 sulfamethizole Low-priority: Computational docking desmopressin vs malaria targets. Cross-check desmopressin pharmacophore against malaria pathway. aminocaproic_acid kidney_cancer GAP_LOW 0.1156 0.045454545454545456 benzocaine Low-priority: Computational docking aminocaproic_acid vs kidney_cancer targets. Cross-check aminocaproic_acid pharmacophore against kidney_cancer pathway. aminocaproic_acid brain_cancer GAP_LOW 0.1156 0.041666666666666664 epirubicin Low-priority: Computational docking aminocaproic_acid vs brain_cancer targets. Cross-check aminocaproic_acid pharmacophore against brain_cancer pathway. aminocaproic_acid intracranial_aneurysm GAP_LOW 0.1156 0.041666666666666664 epirubicin Low-priority: Computational docking aminocaproic_acid vs intracranial_aneurysm targets. Cross-check aminocaproic_acid pharmacophore against intracranial_aneurysm pathway. treprostinil malaria GAP_LOW 0.1156 0.037037037037037035 phenytoin Low-priority: Computational docking treprostinil vs malaria targets. Cross-check treprostinil pharmacophore against malaria pathway. candesartan brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking candesartan vs brain_cancer targets. Cross-check candesartan pharmacophore against brain_cancer pathway. candesartan intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking candesartan vs intracranial_aneurysm targets. Cross-check candesartan pharmacophore against intracranial_aneurysm pathway. colchicine alcohol_dependence GAP_LOW 0.1156 0.0 midazolam Low-priority: Computational docking colchicine vs alcohol_dependence targets. Cross-check colchicine pharmacophore against alcohol_dependence pathway. dextropropoxyphene brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs brain_cancer targets. Cross-check dextropropoxyphene pharmacophore against brain_cancer pathway. dextropropoxyphene intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs intracranial_aneurysm targets. Cross-check dextropropoxyphene pharmacophore against intracranial_aneurysm pathway. dyphylline alcohol_dependence GAP_LOW 0.1156 0.0 midazolam Low-priority: Computational docking dyphylline vs alcohol_dependence targets. Cross-check dyphylline pharmacophore against alcohol_dependence pathway. fosphenytoin pagets_disease_of_bone GAP_LOW 0.1156 0.0 ibandronate Low-priority: Computational docking fosphenytoin vs pagets_disease_of_bone targets. Cross-check fosphenytoin pharmacophore against pagets_disease_of_bone pathway. glimepiride brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking glimepiride vs brain_cancer targets. Cross-check glimepiride pharmacophore against brain_cancer pathway. glipizide brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking glipizide vs brain_cancer targets. Cross-check glipizide pharmacophore against brain_cancer pathway. labetalol brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking labetalol vs brain_cancer targets. Cross-check labetalol pharmacophore against brain_cancer pathway. labetalol intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking labetalol vs intracranial_aneurysm targets. Cross-check labetalol pharmacophore against intracranial_aneurysm pathway. mannitol brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking mannitol vs brain_cancer targets. Cross-check mannitol pharmacophore against brain_cancer pathway. mannitol intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking mannitol vs intracranial_aneurysm targets. Cross-check mannitol pharmacophore against intracranial_aneurysm pathway. nicardipine brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs brain_cancer targets. Cross-check nicardipine pharmacophore against brain_cancer pathway. nicardipine intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs intracranial_aneurysm targets. Cross-check nicardipine pharmacophore against intracranial_aneurysm pathway. nilvadipine brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs brain_cancer targets. Cross-check nilvadipine pharmacophore against brain_cancer pathway. nilvadipine intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs intracranial_aneurysm targets. Cross-check nilvadipine pharmacophore against intracranial_aneurysm pathway. olmesartan brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs brain_cancer targets. Cross-check olmesartan pharmacophore against brain_cancer pathway. olmesartan intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs intracranial_aneurysm targets. Cross-check olmesartan pharmacophore against intracranial_aneurysm pathway. phenindamine pagets_disease_of_bone GAP_LOW 0.1156 0.0 ibandronate Low-priority: Computational docking phenindamine vs pagets_disease_of_bone targets. Cross-check phenindamine pharmacophore against pagets_disease_of_bone pathway. phentermine pagets_disease_of_bone GAP_LOW 0.1156 0.0 ibandronate Low-priority: Computational docking phentermine vs pagets_disease_of_bone targets. Cross-check phentermine pharmacophore against pagets_disease_of_bone pathway. pravastatin brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs brain_cancer targets. Cross-check pravastatin pharmacophore against brain_cancer pathway. pravastatin intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs intracranial_aneurysm targets. Cross-check pravastatin pharmacophore against intracranial_aneurysm pathway. solifenacin brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking solifenacin vs brain_cancer targets. Cross-check solifenacin pharmacophore against brain_cancer pathway. solifenacin intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking solifenacin vs intracranial_aneurysm targets. Cross-check solifenacin pharmacophore against intracranial_aneurysm pathway. tauroursodeoxycholic_acid brain_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs brain_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against brain_cancer pathway. tauroursodeoxycholic_acid intracranial_aneurysm GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs intracranial_aneurysm targets. Cross-check tauroursodeoxycholic_acid pharmacophore against intracranial_aneurysm pathway. theophylline alcohol_dependence GAP_LOW 0.1156 0.0 midazolam Low-priority: Computational docking theophylline vs alcohol_dependence targets. Cross-check theophylline pharmacophore against alcohol_dependence pathway. thiamylal duodenum_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs duodenum_cancer targets. Cross-check thiamylal pharmacophore against duodenum_cancer pathway. thiamylal gallbladder_cancer GAP_LOW 0.1156 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs gallbladder_cancer targets. Cross-check thiamylal pharmacophore against gallbladder_cancer pathway. perphenazine thymus_cancer GAP_HIGH 0.1155 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) carbinoxamine duodenum_cancer GAP_HIGH 0.1155 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in duodenum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) carbinoxamine gallbladder_cancer GAP_HIGH 0.1155 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in gallbladder_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) salicylic_acid idiopathic_pulmonary_fibrosis GAP_HIGH 0.1155 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) cyclopentolate chronic_kidney_failure GAP_HIGH 0.1155 0.25 brompheniramine High-priority: Binding assay cyclopentolate→?; validate in chronic_kidney_failure cell model. Expected: similar to brompheniramine (Jaccard=0.25) cinnarizine thymus_cancer GAP_HIGH 0.1155 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) dextroamphetamine liver_cancer GAP_HIGH 0.1155 0.23076923076923078 mitiglinide High-priority: Binding assay dextroamphetamine→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.23) phenoxybenzamine ocular_cancer GAP_HIGH 0.1155 0.23076923076923078 methadone High-priority: Binding assay phenoxybenzamine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.23) olanzapine osteoporosis GAP_HIGH 0.1155 0.2 zuclopenthixol High-priority: Binding assay olanzapine→?; validate in osteoporosis cell model. Expected: similar to zuclopenthixol (Jaccard=0.20) sulfaphenazole pharynx_cancer GAP_HIGH 0.1155 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in pharynx_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) sulfamethizole ocular_cancer GAP_HIGH 0.1155 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in ocular_cancer cell model. Expected: similar to polythiazide (Jaccard=0.19) isocarboxazid lung_cancer GAP_HIGH 0.1155 0.16666666666666666 l-dopa High-priority: Binding assay isocarboxazid→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.17) isocarboxazid rectum_cancer GAP_HIGH 0.1155 0.16666666666666666 l-dopa High-priority: Binding assay isocarboxazid→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.17) phentermine acquired_immunodeficiency_syndrome GAP_HIGH 0.1155 0.16666666666666666 nateglinide High-priority: Binding assay phentermine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to nateglinide (Jaccard=0.17) pomalidomide pancreatic_cancer GAP_HIGH 0.1155 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in pancreatic_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) droperidol gout GAP_HIGH 0.1155 0.15384615384615385 pirenzepine High-priority: Binding assay droperidol→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.15) enalapril gilles_de_la_tourette_syndrome GAP_LOW 0.1155 0.14285714285714285 alvimopan Low-priority: Computational docking enalapril vs gilles_de_la_tourette_syndrome targets. Cross-check enalapril pharmacophore against gilles_de_la_tourette_syndrome pathway. vitamin_a colon_cancer GAP_LOW 0.1155 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs colon_cancer targets. Cross-check vitamin_a pharmacophore against colon_cancer pathway. clotiazepam crohns_disease GAP_LOW 0.1155 0.1111111111111111 fosphenytoin Low-priority: Computational docking clotiazepam vs crohns_disease targets. Cross-check clotiazepam pharmacophore against crohns_disease pathway. isocarboxazid malaria GAP_LOW 0.1155 0.1111111111111111 tranylcypromine Low-priority: Computational docking isocarboxazid vs malaria targets. Cross-check isocarboxazid pharmacophore against malaria pathway. chlorpropamide azoospermia GAP_LOW 0.1155 0.10714285714285714 procaine Low-priority: Computational docking chlorpropamide vs azoospermia targets. Cross-check chlorpropamide pharmacophore against azoospermia pathway. arbutamine dilated_cardiomyopathy GAP_LOW 0.1155 0.1 milrinone Low-priority: Computational docking arbutamine vs dilated_cardiomyopathy targets. Cross-check arbutamine pharmacophore against dilated_cardiomyopathy pathway. nabumetone crohns_disease GAP_LOW 0.1155 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs crohns_disease targets. Cross-check nabumetone pharmacophore against crohns_disease pathway. felypressin attention_deficit_hyperactivity_disorder GAP_LOW 0.1155 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs attention_deficit_hyperactivity_disorder targets. Cross-check felypressin pharmacophore against attention_deficit_hyperactivity_disorder pathway. colchicine azoospermia GAP_LOW 0.1155 0.07692307692307693 methamphetamine Low-priority: Computational docking colchicine vs azoospermia targets. Cross-check colchicine pharmacophore against azoospermia pathway. paricalcitol malaria GAP_LOW 0.1155 0.07692307692307693 sulfamethizole Low-priority: Computational docking paricalcitol vs malaria targets. Cross-check paricalcitol pharmacophore against malaria pathway. naproxen leprosy GAP_LOW 0.1155 0.058823529411764705 sulfapyridine Low-priority: Computational docking naproxen vs leprosy targets. Cross-check naproxen pharmacophore against leprosy pathway. aminocaproic_acid nephrolithiasis GAP_LOW 0.1155 0.045454545454545456 benzocaine Low-priority: Computational docking aminocaproic_acid vs nephrolithiasis targets. Cross-check aminocaproic_acid pharmacophore against nephrolithiasis pathway. pravastatin osteoarthritis GAP_LOW 0.1155 0.04 phenacemide Low-priority: Computational docking pravastatin vs osteoarthritis targets. Cross-check pravastatin pharmacophore against osteoarthritis pathway. loratadine hepatitis_b GAP_LOW 0.1155 0.0392156862745098 s-adenosylmethionine Low-priority: Computational docking loratadine vs hepatitis_b targets. Cross-check loratadine pharmacophore against hepatitis_b pathway. flurazepam gestational_diabetes GAP_LOW 0.1155 0.03333333333333333 bezafibrate Low-priority: Computational docking flurazepam vs gestational_diabetes targets. Cross-check flurazepam pharmacophore against gestational_diabetes pathway. l-cysteine hepatitis_b GAP_LOW 0.1155 0.020833333333333332 adenosine_monophosphate Low-priority: Computational docking l-cysteine vs hepatitis_b targets. Cross-check l-cysteine pharmacophore against hepatitis_b pathway. zuclopenthixol celiac_disease GAP_HIGH 0.1154 0.3 chlorcyclizine High-priority: Binding assay zuclopenthixol→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.30) droxidopa penile_cancer GAP_HIGH 0.1154 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) sunitinib hematologic_cancer GAP_HIGH 0.1154 0.25 ponatinib High-priority: Binding assay sunitinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.25) testosterone rheumatoid_arthritis GAP_HIGH 0.1154 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in rheumatoid_arthritis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) diphemanil_methylsulfate alopecia_areata GAP_HIGH 0.1154 0.2222222222222222 levorphanol High-priority: Binding assay diphemanil_methylsulfate→?; validate in alopecia_areata cell model. Expected: similar to levorphanol (Jaccard=0.22) testosterone migraine GAP_HIGH 0.1154 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in migraine cell model. Expected: similar to drospirenone (Jaccard=0.22) testosterone sarcoma GAP_HIGH 0.1154 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in sarcoma cell model. Expected: similar to drospirenone (Jaccard=0.22) diethylpropion ocular_cancer GAP_HIGH 0.1154 0.2 nateglinide High-priority: Binding assay diethylpropion→?; validate in ocular_cancer cell model. Expected: similar to nateglinide (Jaccard=0.20) cinolazepam hematologic_cancer GAP_HIGH 0.1154 0.18518518518518517 flurbiprofen High-priority: Binding assay cinolazepam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.19) anisotropine_methylbromide systemic_lupus_erythematosus GAP_HIGH 0.1154 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to heroin (Jaccard=0.17) ospemifene muscle_cancer GAP_HIGH 0.1154 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in muscle_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pamidronate azoospermia GAP_HIGH 0.1154 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in azoospermia cell model. Expected: similar to phenelzine (Jaccard=0.17) pomalidomide ovarian_cancer GAP_HIGH 0.1154 0.16666666666666666 olsalazine High-priority: Binding assay pomalidomide→?; validate in ovarian_cancer cell model. Expected: similar to olsalazine (Jaccard=0.17) ponatinib metabolic_syndrome_x GAP_HIGH 0.1154 0.15151515151515152 polythiazide High-priority: Binding assay ponatinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to polythiazide (Jaccard=0.15) tolazoline duodenum_cancer GAP_LOW 0.1154 0.14285714285714285 l-dopa Low-priority: Computational docking tolazoline vs duodenum_cancer targets. Cross-check tolazoline pharmacophore against duodenum_cancer pathway. tolazoline gallbladder_cancer GAP_LOW 0.1154 0.14285714285714285 l-dopa Low-priority: Computational docking tolazoline vs gallbladder_cancer targets. Cross-check tolazoline pharmacophore against gallbladder_cancer pathway. tolazoline melanoma GAP_LOW 0.1154 0.14285714285714285 melphalan Low-priority: Computational docking tolazoline vs melanoma targets. Cross-check tolazoline pharmacophore against melanoma pathway. ethylmorphine focal_segmental_glomerulosclerosis GAP_LOW 0.1154 0.13333333333333333 propiomazine Low-priority: Computational docking ethylmorphine vs focal_segmental_glomerulosclerosis targets. Cross-check ethylmorphine pharmacophore against focal_segmental_glomerulosclerosis pathway. adenosine psoriasis GAP_LOW 0.1154 0.125 tetrahydrofolic_acid Low-priority: Computational docking adenosine vs psoriasis targets. Cross-check adenosine pharmacophore against psoriasis pathway. calcitriol creutzfeldt-jakob_disease GAP_LOW 0.1154 0.125 pimozide Low-priority: Computational docking calcitriol vs creutzfeldt-jakob_disease targets. Cross-check calcitriol pharmacophore against creutzfeldt-jakob_disease pathway. vitamin_a pancreatic_cancer GAP_LOW 0.1154 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs pancreatic_cancer targets. Cross-check vitamin_a pharmacophore against pancreatic_cancer pathway. ceruletide osteoarthritis GAP_LOW 0.1154 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs osteoarthritis targets. Cross-check ceruletide pharmacophore against osteoarthritis pathway. ceruletide skin_cancer GAP_LOW 0.1154 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs skin_cancer targets. Cross-check ceruletide pharmacophore against skin_cancer pathway. sorafenib leprosy GAP_LOW 0.1154 0.1 menadione Low-priority: Computational docking sorafenib vs leprosy targets. Cross-check sorafenib pharmacophore against leprosy pathway. prazepam salivary_gland_cancer GAP_LOW 0.1154 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs salivary_gland_cancer targets. Cross-check prazepam pharmacophore against salivary_gland_cancer pathway. mephentermine membranous_glomerulonephritis GAP_LOW 0.1154 0.09090909090909091 moricizine Low-priority: Computational docking mephentermine vs membranous_glomerulonephritis targets. Cross-check mephentermine pharmacophore against membranous_glomerulonephritis pathway. methadyl_acetate bone_cancer GAP_LOW 0.1154 0.09090909090909091 alendronate Low-priority: Computational docking methadyl_acetate vs bone_cancer targets. Cross-check methadyl_acetate pharmacophore against bone_cancer pathway. antipyrine glaucoma GAP_LOW 0.1154 0.08823529411764706 pseudoephedrine Low-priority: Computational docking antipyrine vs glaucoma targets. Cross-check antipyrine pharmacophore against glaucoma pathway. gemcitabine leprosy GAP_LOW 0.1154 0.08333333333333333 menadione Low-priority: Computational docking gemcitabine vs leprosy targets. Cross-check gemcitabine pharmacophore against leprosy pathway. mepyramine dilated_cardiomyopathy GAP_LOW 0.1154 0.07692307692307693 trandolapril Low-priority: Computational docking mepyramine vs dilated_cardiomyopathy targets. Cross-check mepyramine pharmacophore against dilated_cardiomyopathy pathway. pravastatin testicular_cancer GAP_LOW 0.1154 0.04 phenacemide Low-priority: Computational docking pravastatin vs testicular_cancer targets. Cross-check pravastatin pharmacophore against testicular_cancer pathway. pravastatin vaginal_cancer GAP_LOW 0.1154 0.04 phenacemide Low-priority: Computational docking pravastatin vs vaginal_cancer targets. Cross-check pravastatin pharmacophore against vaginal_cancer pathway. pravastatin vulva_cancer GAP_LOW 0.1154 0.04 phenacemide Low-priority: Computational docking pravastatin vs vulva_cancer targets. Cross-check pravastatin pharmacophore against vulva_cancer pathway. l-asparagine head_and_neck_cancer GAP_LOW 0.1154 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs head_and_neck_cancer targets. Cross-check l-asparagine pharmacophore against head_and_neck_cancer pathway. l-asparagine malignant_glioma GAP_LOW 0.1154 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs malignant_glioma targets. Cross-check l-asparagine pharmacophore against malignant_glioma pathway. warfarin penile_cancer GAP_HIGH 0.1153 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) mazindol gout GAP_HIGH 0.1153 0.3170731707317073 methdilazine High-priority: Binding assay mazindol→?; validate in gout cell model. Expected: similar to methdilazine (Jaccard=0.32) flurbiprofen melanoma GAP_HIGH 0.1153 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in melanoma cell model. Expected: similar to melphalan (Jaccard=0.31) etoricoxib autistic_disorder GAP_HIGH 0.1153 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in autistic_disorder cell model. Expected: similar to quinethazone (Jaccard=0.31) etoricoxib parkinsons_disease GAP_HIGH 0.1153 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in parkinsons_disease cell model. Expected: similar to quinethazone (Jaccard=0.31) cinnarizine coronary_artery_disease GAP_HIGH 0.1153 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in coronary_artery_disease cell model. Expected: similar to clotrimazole (Jaccard=0.23) cinnarizine hematologic_cancer GAP_HIGH 0.1153 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) midazolam gout GAP_HIGH 0.1153 0.23076923076923078 diazepam High-priority: Binding assay midazolam→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.23) butenafine lung_cancer GAP_HIGH 0.1153 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in lung_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) butenafine rectum_cancer GAP_HIGH 0.1153 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in rectum_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) pimozide hypertension GAP_HIGH 0.1153 0.2 nilvadipine High-priority: Binding assay pimozide→?; validate in hypertension cell model. Expected: similar to nilvadipine (Jaccard=0.20) anisotropine_methylbromide metabolic_syndrome_x GAP_HIGH 0.1153 0.16666666666666666 nalbuphine High-priority: Binding assay anisotropine_methylbromide→?; validate in metabolic_syndrome_x cell model. Expected: similar to nalbuphine (Jaccard=0.17) chlorphenesin meningioma GAP_HIGH 0.1153 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in meningioma cell model. Expected: similar to pantoprazole (Jaccard=0.17) ospemifene lung_cancer GAP_HIGH 0.1153 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in lung_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene ocular_cancer GAP_HIGH 0.1153 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in ocular_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene rectum_cancer GAP_HIGH 0.1153 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in rectum_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) deferasirox chronic_obstructive_pulmonary_disease GAP_HIGH 0.1153 0.15384615384615385 zafirlukast High-priority: Binding assay deferasirox→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.15) pamidronate esophageal_cancer GAP_HIGH 0.1153 0.15384615384615385 etoricoxib High-priority: Binding assay pamidronate→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.15) pemetrexed hematologic_cancer GAP_LOW 0.1153 0.14285714285714285 floxuridine Low-priority: Computational docking pemetrexed vs hematologic_cancer targets. Cross-check pemetrexed pharmacophore against hematologic_cancer pathway. gliclazide conduct_disorder GAP_LOW 0.1153 0.125 naloxone Low-priority: Computational docking gliclazide vs conduct_disorder targets. Cross-check gliclazide pharmacophore against conduct_disorder pathway. terbutaline lymphatic_system_cancer GAP_LOW 0.1153 0.125 streptozocin Low-priority: Computational docking terbutaline vs lymphatic_system_cancer targets. Cross-check terbutaline pharmacophore against lymphatic_system_cancer pathway. vitamin_a ulcerative_colitis GAP_LOW 0.1153 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs ulcerative_colitis targets. Cross-check vitamin_a pharmacophore against ulcerative_colitis pathway. chlorpropamide penile_cancer GAP_LOW 0.1153 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs penile_cancer targets. Cross-check chlorpropamide pharmacophore against penile_cancer pathway. mephentermine hepatitis_b GAP_LOW 0.1153 0.06666666666666667 nateglinide Low-priority: Computational docking mephentermine vs hepatitis_b targets. Cross-check mephentermine pharmacophore against hepatitis_b pathway. travoprost primary_biliary_cirrhosis GAP_LOW 0.1153 0.06666666666666667 medrysone Low-priority: Computational docking travoprost vs primary_biliary_cirrhosis targets. Cross-check travoprost pharmacophore against primary_biliary_cirrhosis pathway. chlorpropamide malaria GAP_LOW 0.1153 0.06451612903225806 sulfapyridine Low-priority: Computational docking chlorpropamide vs malaria targets. Cross-check chlorpropamide pharmacophore against malaria pathway. l-aspartic_acid sclerosing_cholangitis GAP_LOW 0.1153 0.058823529411764705 colchicine Low-priority: Computational docking l-aspartic_acid vs sclerosing_cholangitis targets. Cross-check l-aspartic_acid pharmacophore against sclerosing_cholangitis pathway. l-citrulline refractive_error GAP_LOW 0.1153 0.05454545454545454 epinephrine Low-priority: Computational docking l-citrulline vs refractive_error targets. Cross-check l-citrulline pharmacophore against refractive_error pathway. papaverine primary_biliary_cirrhosis GAP_LOW 0.1153 0.045454545454545456 toremifene Low-priority: Computational docking papaverine vs primary_biliary_cirrhosis targets. Cross-check papaverine pharmacophore against primary_biliary_cirrhosis pathway. pravastatin vascular_cancer GAP_LOW 0.1153 0.04 phenacemide Low-priority: Computational docking pravastatin vs vascular_cancer targets. Cross-check pravastatin pharmacophore against vascular_cancer pathway. bimatoprost lymphatic_system_cancer GAP_LOW 0.1153 0.03773584905660377 s-adenosylmethionine Low-priority: Computational docking bimatoprost vs lymphatic_system_cancer targets. Cross-check bimatoprost pharmacophore against lymphatic_system_cancer pathway. l-asparagine kidney_cancer GAP_LOW 0.1153 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs kidney_cancer targets. Cross-check l-asparagine pharmacophore against kidney_cancer pathway. l-methionine larynx_cancer GAP_LOW 0.1153 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs larynx_cancer targets. Cross-check l-methionine pharmacophore against larynx_cancer pathway. thiamylal sclerosing_cholangitis GAP_LOW 0.1153 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs sclerosing_cholangitis targets. Cross-check thiamylal pharmacophore against sclerosing_cholangitis pathway. nateglinide primary_biliary_cirrhosis GAP_HIGH 0.1152 0.3333333333333333 mitiglinide High-priority: Binding assay nateglinide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.33) etoricoxib amyotrophic_lateral_sclerosis GAP_HIGH 0.1152 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.31) droxidopa malignant_mesothelioma GAP_HIGH 0.1152 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.29) salicylic_acid gout GAP_HIGH 0.1152 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in gout cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) pargyline ankylosing_spondylitis GAP_HIGH 0.1152 0.25925925925925924 phenacemide High-priority: Binding assay pargyline→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.26) diazepam malignant_mesothelioma GAP_HIGH 0.1152 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) docetaxel obesity GAP_HIGH 0.1152 0.25 carvedilol High-priority: Binding assay docetaxel→?; validate in obesity cell model. Expected: similar to carvedilol (Jaccard=0.25) diclofenac vascular_cancer GAP_HIGH 0.1152 0.23529411764705882 oxaprozin High-priority: Binding assay diclofenac→?; validate in vascular_cancer cell model. Expected: similar to oxaprozin (Jaccard=0.24) oxybuprocaine hematologic_cancer GAP_HIGH 0.1152 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in hematologic_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine narcolepsy GAP_HIGH 0.1152 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in narcolepsy cell model. Expected: similar to phenmetrazine (Jaccard=0.21) drostanolone mediastinal_cancer GAP_HIGH 0.1152 0.2 fulvestrant High-priority: Binding assay drostanolone→?; validate in mediastinal_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) sulfamethizole urinary_bladder_cancer GAP_HIGH 0.1152 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in urinary_bladder_cancer cell model. Expected: similar to polythiazide (Jaccard=0.19) ospemifene liver_cancer GAP_HIGH 0.1152 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in liver_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pamidronate membranous_glomerulonephritis GAP_HIGH 0.1152 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to trifluoperazine (Jaccard=0.17) dapsone attention_deficit_hyperactivity_disorder GAP_LOW 0.1152 0.14285714285714285 metolazone Low-priority: Computational docking dapsone vs attention_deficit_hyperactivity_disorder targets. Cross-check dapsone pharmacophore against attention_deficit_hyperactivity_disorder pathway. nilotinib nicotine_dependence GAP_LOW 0.1152 0.14285714285714285 l-arginine Low-priority: Computational docking nilotinib vs nicotine_dependence targets. Cross-check nilotinib pharmacophore against nicotine_dependence pathway. dasatinib brain_cancer GAP_LOW 0.1152 0.10526315789473684 doxorubicin Low-priority: Computational docking dasatinib vs brain_cancer targets. Cross-check dasatinib pharmacophore against brain_cancer pathway. dasatinib intracranial_aneurysm GAP_LOW 0.1152 0.10526315789473684 doxorubicin Low-priority: Computational docking dasatinib vs intracranial_aneurysm targets. Cross-check dasatinib pharmacophore against intracranial_aneurysm pathway. gliclazide azoospermia GAP_LOW 0.1152 0.09090909090909091 pargyline Low-priority: Computational docking gliclazide vs azoospermia targets. Cross-check gliclazide pharmacophore against azoospermia pathway. felypressin asthma GAP_LOW 0.1152 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs asthma targets. Cross-check felypressin pharmacophore against asthma pathway. felypressin panic_disorder GAP_LOW 0.1152 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs panic_disorder targets. Cross-check felypressin pharmacophore against panic_disorder pathway. felypressin schizophrenia GAP_LOW 0.1152 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs schizophrenia targets. Cross-check felypressin pharmacophore against schizophrenia pathway. treprostinil malignant_mesothelioma GAP_LOW 0.1152 0.06666666666666667 ifenprodil Low-priority: Computational docking treprostinil vs malignant_mesothelioma targets. Cross-check treprostinil pharmacophore against malignant_mesothelioma pathway. terlipressin head_and_neck_cancer GAP_LOW 0.1152 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs head_and_neck_cancer targets. Cross-check terlipressin pharmacophore against head_and_neck_cancer pathway. terlipressin malignant_glioma GAP_LOW 0.1152 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs malignant_glioma targets. Cross-check terlipressin pharmacophore against malignant_glioma pathway. treprostinil celiac_disease GAP_LOW 0.1152 0.058823529411764705 salsalate Low-priority: Computational docking treprostinil vs celiac_disease targets. Cross-check treprostinil pharmacophore against celiac_disease pathway. l-aspartic_acid mediastinal_cancer GAP_LOW 0.1152 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs mediastinal_cancer targets. Cross-check l-aspartic_acid pharmacophore against mediastinal_cancer pathway. l-aspartic_acid primary_biliary_cirrhosis GAP_LOW 0.1152 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs primary_biliary_cirrhosis targets. Cross-check l-aspartic_acid pharmacophore against primary_biliary_cirrhosis pathway. l-asparagine nephrolithiasis GAP_LOW 0.1152 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs nephrolithiasis targets. Cross-check l-asparagine pharmacophore against nephrolithiasis pathway. fluticasone_propionate amyotrophic_lateral_sclerosis GAP_HIGH 0.1151 0.3 fludrocortisone High-priority: Binding assay fluticasone_propionate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.30) ethinyl_estradiol pancreatitis GAP_HIGH 0.1151 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in pancreatitis cell model. Expected: similar to hydrocortisone (Jaccard=0.29) ethinyl_estradiol salivary_gland_cancer GAP_HIGH 0.1151 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in salivary_gland_cancer cell model. Expected: similar to hydrocortisone (Jaccard=0.29) chlordiazepoxide celiac_disease GAP_HIGH 0.1151 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) adenosine_monophosphate systemic_lupus_erythematosus GAP_HIGH 0.1151 0.26229508196721313 vidarabine High-priority: Binding assay adenosine_monophosphate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to vidarabine (Jaccard=0.26) testosterone psoriatic_arthritis GAP_HIGH 0.1151 0.23076923076923078 cyproterone_acetate High-priority: Binding assay testosterone→?; validate in psoriatic_arthritis cell model. Expected: similar to cyproterone_acetate (Jaccard=0.23) pipotiazine alcohol_dependence GAP_HIGH 0.1151 0.2222222222222222 temazepam High-priority: Binding assay pipotiazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.22) testosterone metabolic_syndrome_x GAP_HIGH 0.1151 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in metabolic_syndrome_x cell model. Expected: similar to drospirenone (Jaccard=0.22) butenafine liver_cancer GAP_HIGH 0.1151 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in liver_cancer cell model. Expected: similar to naftifine (Jaccard=0.21) diethylpropion peripheral_nervous_system_neoplasm GAP_HIGH 0.1151 0.2 nateglinide High-priority: Binding assay diethylpropion→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to nateglinide (Jaccard=0.20) drostanolone thymus_cancer GAP_HIGH 0.1151 0.2 fulvestrant High-priority: Binding assay drostanolone→?; validate in thymus_cancer cell model. Expected: similar to fulvestrant (Jaccard=0.20) pimozide uterine_cancer GAP_HIGH 0.1151 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in uterine_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) alendronate duodenum_cancer GAP_HIGH 0.1151 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in duodenum_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.18) alendronate gallbladder_cancer GAP_HIGH 0.1151 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in gallbladder_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.18) mepyramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1151 0.18181818181818182 tamoxifen High-priority: Binding assay mepyramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.18) phenformin sclerosing_cholangitis GAP_HIGH 0.1151 0.18181818181818182 phenacemide High-priority: Binding assay phenformin→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.18) anisotropine_methylbromide osteoarthritis GAP_HIGH 0.1151 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in osteoarthritis cell model. Expected: similar to heroin (Jaccard=0.17) fluspirilene ankylosing_spondylitis GAP_HIGH 0.1151 0.16666666666666666 perphenazine High-priority: Binding assay fluspirilene→?; validate in ankylosing_spondylitis cell model. Expected: similar to perphenazine (Jaccard=0.17) pimozide membranous_glomerulonephritis GAP_HIGH 0.1151 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to calcidiol (Jaccard=0.17) tretinoin duodenum_cancer GAP_LOW 0.1151 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs duodenum_cancer targets. Cross-check tretinoin pharmacophore against duodenum_cancer pathway. tretinoin gallbladder_cancer GAP_LOW 0.1151 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs gallbladder_cancer targets. Cross-check tretinoin pharmacophore against gallbladder_cancer pathway. tretinoin melanoma GAP_LOW 0.1151 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs melanoma targets. Cross-check tretinoin pharmacophore against melanoma pathway. ospemifene celiac_disease GAP_LOW 0.1151 0.13043478260869565 betamethasone Low-priority: Computational docking ospemifene vs celiac_disease targets. Cross-check ospemifene pharmacophore against celiac_disease pathway. calcitriol pharynx_cancer GAP_LOW 0.1151 0.125 loteprednol Low-priority: Computational docking calcitriol vs pharynx_cancer targets. Cross-check calcitriol pharmacophore against pharynx_cancer pathway. gliclazide bipolar_disorder GAP_LOW 0.1151 0.125 naloxone Low-priority: Computational docking gliclazide vs bipolar_disorder targets. Cross-check gliclazide pharmacophore against bipolar_disorder pathway. gliclazide endogenous_depression GAP_LOW 0.1151 0.125 naloxone Low-priority: Computational docking gliclazide vs endogenous_depression targets. Cross-check gliclazide pharmacophore against endogenous_depression pathway. ritodrine coronary_artery_disease GAP_LOW 0.1151 0.125 indecainide Low-priority: Computational docking ritodrine vs coronary_artery_disease targets. Cross-check ritodrine pharmacophore against coronary_artery_disease pathway. tioguanine chronic_obstructive_pulmonary_disease GAP_LOW 0.1151 0.125 zuclopenthixol Low-priority: Computational docking tioguanine vs chronic_obstructive_pulmonary_disease targets. Cross-check tioguanine pharmacophore against chronic_obstructive_pulmonary_disease pathway. ziprasidone brain_cancer GAP_LOW 0.1151 0.125 alendronate Low-priority: Computational docking ziprasidone vs brain_cancer targets. Cross-check ziprasidone pharmacophore against brain_cancer pathway. ziprasidone intracranial_aneurysm GAP_LOW 0.1151 0.125 alendronate Low-priority: Computational docking ziprasidone vs intracranial_aneurysm targets. Cross-check ziprasidone pharmacophore against intracranial_aneurysm pathway. codeine salivary_gland_cancer GAP_LOW 0.1151 0.12 phenylbutazone Low-priority: Computational docking codeine vs salivary_gland_cancer targets. Cross-check codeine pharmacophore against salivary_gland_cancer pathway. dienestrol chronic_kidney_failure GAP_LOW 0.1151 0.11764705882352941 toremifene Low-priority: Computational docking dienestrol vs chronic_kidney_failure targets. Cross-check dienestrol pharmacophore against chronic_kidney_failure pathway. azacitidine head_and_neck_cancer GAP_LOW 0.1151 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs head_and_neck_cancer targets. Cross-check azacitidine pharmacophore against head_and_neck_cancer pathway. azacitidine malignant_glioma GAP_LOW 0.1151 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs malignant_glioma targets. Cross-check azacitidine pharmacophore against malignant_glioma pathway. proparacaine membranous_glomerulonephritis GAP_LOW 0.1151 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs membranous_glomerulonephritis targets. Cross-check proparacaine pharmacophore against membranous_glomerulonephritis pathway. ergocalciferol brain_cancer GAP_LOW 0.1151 0.1 cyproterone_acetate Low-priority: Computational docking ergocalciferol vs brain_cancer targets. Cross-check ergocalciferol pharmacophore against brain_cancer pathway. indomethacin glaucoma GAP_LOW 0.1151 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs glaucoma targets. Cross-check indomethacin pharmacophore against glaucoma pathway. prazepam ocular_cancer GAP_LOW 0.1151 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs ocular_cancer targets. Cross-check prazepam pharmacophore against ocular_cancer pathway. anileridine alcohol_dependence GAP_LOW 0.1151 0.08888888888888889 mazindol Low-priority: Computational docking anileridine vs alcohol_dependence targets. Cross-check anileridine pharmacophore against alcohol_dependence pathway. felypressin breast_cancer GAP_LOW 0.1151 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs breast_cancer targets. Cross-check felypressin pharmacophore against breast_cancer pathway. felypressin conduct_disorder GAP_LOW 0.1151 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs conduct_disorder targets. Cross-check felypressin pharmacophore against conduct_disorder pathway. felypressin hypertension GAP_LOW 0.1151 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs hypertension targets. Cross-check felypressin pharmacophore against hypertension pathway. terlipressin breast_cancer GAP_LOW 0.1151 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs breast_cancer targets. Cross-check terlipressin pharmacophore against breast_cancer pathway. terlipressin colon_cancer GAP_LOW 0.1151 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs colon_cancer targets. Cross-check terlipressin pharmacophore against colon_cancer pathway. felypressin kidney_cancer GAP_LOW 0.1151 0.058823529411764705 sulfamethizole Low-priority: Computational docking felypressin vs kidney_cancer targets. Cross-check felypressin pharmacophore against kidney_cancer pathway. terlipressin kidney_cancer GAP_LOW 0.1151 0.058823529411764705 sulfamethizole Low-priority: Computational docking terlipressin vs kidney_cancer targets. Cross-check terlipressin pharmacophore against kidney_cancer pathway. treprostinil chronic_kidney_failure GAP_LOW 0.1151 0.058823529411764705 salsalate Low-priority: Computational docking treprostinil vs chronic_kidney_failure targets. Cross-check treprostinil pharmacophore against chronic_kidney_failure pathway. vapreotide brain_cancer GAP_LOW 0.1151 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs brain_cancer targets. Cross-check vapreotide pharmacophore against brain_cancer pathway. vapreotide intracranial_aneurysm GAP_LOW 0.1151 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs intracranial_aneurysm targets. Cross-check vapreotide pharmacophore against intracranial_aneurysm pathway. aminocaproic_acid penile_cancer GAP_LOW 0.1151 0.05405405405405406 fentanyl Low-priority: Computational docking aminocaproic_acid vs penile_cancer targets. Cross-check aminocaproic_acid pharmacophore against penile_cancer pathway. l-aspartic_acid gout GAP_LOW 0.1151 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs gout targets. Cross-check l-aspartic_acid pharmacophore against gout pathway. l-aspartic_acid thymus_cancer GAP_LOW 0.1151 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs thymus_cancer targets. Cross-check l-aspartic_acid pharmacophore against thymus_cancer pathway. methocarbamol hepatitis_b GAP_LOW 0.1151 0.024390243902439025 adenosine_triphosphate Low-priority: Computational docking methocarbamol vs hepatitis_b targets. Cross-check methocarbamol pharmacophore against hepatitis_b pathway. gemcitabine pagets_disease_of_bone GAP_LOW 0.1151 0.0 ibandronate Low-priority: Computational docking gemcitabine vs pagets_disease_of_bone targets. Cross-check gemcitabine pharmacophore against pagets_disease_of_bone pathway. isoprenaline pagets_disease_of_bone GAP_LOW 0.1151 0.0 ibandronate Low-priority: Computational docking isoprenaline vs pagets_disease_of_bone targets. Cross-check isoprenaline pharmacophore against pagets_disease_of_bone pathway. l-tryptophan pagets_disease_of_bone GAP_LOW 0.1151 0.0 ibandronate Low-priority: Computational docking l-tryptophan vs pagets_disease_of_bone targets. Cross-check l-tryptophan pharmacophore against pagets_disease_of_bone pathway. pargyline pagets_disease_of_bone GAP_LOW 0.1151 0.0 ibandronate Low-priority: Computational docking pargyline vs pagets_disease_of_bone targets. Cross-check pargyline pharmacophore against pagets_disease_of_bone pathway. clozapine sclerosing_cholangitis GAP_HIGH 0.115 0.2857142857142857 midazolam High-priority: Binding assay clozapine→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.29) desipramine hematologic_cancer GAP_HIGH 0.115 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) desipramine narcolepsy GAP_HIGH 0.115 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in narcolepsy cell model. Expected: similar to aspartame (Jaccard=0.29) diazepam vascular_cancer GAP_HIGH 0.115 0.2857142857142857 trifluoperazine High-priority: Binding assay diazepam→?; validate in vascular_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.29) procaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.115 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.25) phenelzine glaucoma GAP_HIGH 0.115 0.23809523809523808 polythiazide High-priority: Binding assay phenelzine→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.24) testosterone skin_cancer GAP_HIGH 0.115 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in skin_cancer cell model. Expected: similar to drospirenone (Jaccard=0.22) pimozide sarcoma GAP_HIGH 0.115 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in sarcoma cell model. Expected: similar to diclofenamide (Jaccard=0.20) sunitinib larynx_cancer GAP_HIGH 0.115 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in larynx_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) teniposide duodenum_cancer GAP_HIGH 0.115 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in duodenum_cancer cell model. Expected: similar to epirubicin (Jaccard=0.20) teniposide gallbladder_cancer GAP_HIGH 0.115 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in gallbladder_cancer cell model. Expected: similar to epirubicin (Jaccard=0.20) glucosamine brain_cancer GAP_HIGH 0.115 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) glucosamine intracranial_aneurysm GAP_HIGH 0.115 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.17) mepyramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.115 0.16666666666666666 atomoxetine High-priority: Binding assay mepyramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.17) ospemifene peripheral_nervous_system_neoplasm GAP_HIGH 0.115 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) medroxyprogesterone_acetate glaucoma GAP_LOW 0.115 0.14285714285714285 choline Low-priority: Computational docking medroxyprogesterone_acetate vs glaucoma targets. Cross-check medroxyprogesterone_acetate pharmacophore against glaucoma pathway. mepyramine glaucoma GAP_LOW 0.115 0.14285714285714285 alpha-linolenic_acid Low-priority: Computational docking mepyramine vs glaucoma targets. Cross-check mepyramine pharmacophore against glaucoma pathway. calcitriol ankylosing_spondylitis GAP_LOW 0.115 0.125 loteprednol Low-priority: Computational docking calcitriol vs ankylosing_spondylitis targets. Cross-check calcitriol pharmacophore against ankylosing_spondylitis pathway. telmisartan celiac_disease GAP_LOW 0.115 0.125 cinnarizine Low-priority: Computational docking telmisartan vs celiac_disease targets. Cross-check telmisartan pharmacophore against celiac_disease pathway. ceruletide systemic_scleroderma GAP_LOW 0.115 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs systemic_scleroderma targets. Cross-check ceruletide pharmacophore against systemic_scleroderma pathway. etidronic_acid malaria GAP_LOW 0.115 0.1 sulfamethizole Low-priority: Computational docking etidronic_acid vs malaria targets. Cross-check etidronic_acid pharmacophore against malaria pathway. ephedrine esophageal_cancer GAP_LOW 0.115 0.08333333333333333 fludrocortisone Low-priority: Computational docking ephedrine vs esophageal_cancer targets. Cross-check ephedrine pharmacophore against esophageal_cancer pathway. felypressin allergic_rhinitis GAP_LOW 0.115 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs allergic_rhinitis targets. Cross-check felypressin pharmacophore against allergic_rhinitis pathway. felypressin bipolar_disorder GAP_LOW 0.115 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs bipolar_disorder targets. Cross-check felypressin pharmacophore against bipolar_disorder pathway. l-phenylalanine dilated_cardiomyopathy GAP_LOW 0.115 0.08333333333333333 trandolapril Low-priority: Computational docking l-phenylalanine vs dilated_cardiomyopathy targets. Cross-check l-phenylalanine pharmacophore against dilated_cardiomyopathy pathway. ritodrine malaria GAP_LOW 0.115 0.08333333333333333 sulfamethizole Low-priority: Computational docking ritodrine vs malaria targets. Cross-check ritodrine pharmacophore against malaria pathway. halazepam brain_cancer GAP_LOW 0.115 0.06666666666666667 levorphanol Low-priority: Computational docking halazepam vs brain_cancer targets. Cross-check halazepam pharmacophore against brain_cancer pathway. tioguanine alcohol_dependence GAP_LOW 0.115 0.06666666666666667 levorphanol Low-priority: Computational docking tioguanine vs alcohol_dependence targets. Cross-check tioguanine pharmacophore against alcohol_dependence pathway. pravastatin uterine_fibroid GAP_LOW 0.115 0.04 phenacemide Low-priority: Computational docking pravastatin vs uterine_fibroid targets. Cross-check pravastatin pharmacophore against uterine_fibroid pathway. amlodipine alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs alopecia_areata targets. Cross-check amlodipine pharmacophore against alopecia_areata pathway. amodiaquine alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs alopecia_areata targets. Cross-check amodiaquine pharmacophore against alopecia_areata pathway. conivaptan alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs alopecia_areata targets. Cross-check conivaptan pharmacophore against alopecia_areata pathway. eprosartan alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs alopecia_areata targets. Cross-check eprosartan pharmacophore against alopecia_areata pathway. gliquidone alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking gliquidone vs alopecia_areata targets. Cross-check gliquidone pharmacophore against alopecia_areata pathway. glisoxepide alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking glisoxepide vs alopecia_areata targets. Cross-check glisoxepide pharmacophore against alopecia_areata pathway. sulpiride alopecia_areata GAP_LOW 0.115 0.0 hydrocortisone Low-priority: Computational docking sulpiride vs alopecia_areata targets. Cross-check sulpiride pharmacophore against alopecia_areata pathway. flurbiprofen sclerosing_cholangitis GAP_HIGH 0.1149 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in sclerosing_cholangitis cell model. Expected: similar to melphalan (Jaccard=0.31) paclitaxel psoriatic_arthritis GAP_HIGH 0.1149 0.25 glyburide High-priority: Binding assay paclitaxel→?; validate in psoriatic_arthritis cell model. Expected: similar to glyburide (Jaccard=0.25) prednisolone narcolepsy GAP_HIGH 0.1149 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in narcolepsy cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) testosterone osteoarthritis GAP_HIGH 0.1149 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in osteoarthritis cell model. Expected: similar to drospirenone (Jaccard=0.22) isopropamide malaria GAP_HIGH 0.1149 0.21428571428571427 modafinil High-priority: Binding assay isopropamide→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) anisotropine_methylbromide obesity GAP_HIGH 0.1149 0.16666666666666666 nalbuphine High-priority: Binding assay anisotropine_methylbromide→?; validate in obesity cell model. Expected: similar to nalbuphine (Jaccard=0.17) testosterone glaucoma GAP_HIGH 0.1149 0.16666666666666666 choline High-priority: Binding assay testosterone→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.17) pimozide celiac_disease GAP_HIGH 0.1149 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in celiac_disease cell model. Expected: similar to fentanyl (Jaccard=0.16) doxylamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1149 0.15384615384615385 diphenhydramine High-priority: Binding assay doxylamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.15) l-glutamine refractive_error GAP_HIGH 0.1149 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in refractive_error cell model. Expected: similar to l-histidine (Jaccard=0.15) levorphanol dilated_cardiomyopathy GAP_LOW 0.1149 0.15 medrysone Low-priority: Computational docking levorphanol vs dilated_cardiomyopathy targets. Cross-check levorphanol pharmacophore against dilated_cardiomyopathy pathway. chlorthalidone penile_cancer GAP_LOW 0.1149 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs penile_cancer targets. Cross-check chlorthalidone pharmacophore against penile_cancer pathway. dapsone breast_cancer GAP_LOW 0.1149 0.14285714285714285 clodronate Low-priority: Computational docking dapsone vs breast_cancer targets. Cross-check dapsone pharmacophore against breast_cancer pathway. dihydrotachysterol polycystic_ovary_syndrome GAP_LOW 0.1149 0.14285714285714285 clopidogrel Low-priority: Computational docking dihydrotachysterol vs polycystic_ovary_syndrome targets. Cross-check dihydrotachysterol pharmacophore against polycystic_ovary_syndrome pathway. chlorthalidone refractive_error GAP_LOW 0.1149 0.13333333333333333 practolol Low-priority: Computational docking chlorthalidone vs refractive_error targets. Cross-check chlorthalidone pharmacophore against refractive_error pathway. codeine ocular_cancer GAP_LOW 0.1149 0.12 phenylbutazone Low-priority: Computational docking codeine vs ocular_cancer targets. Cross-check codeine pharmacophore against ocular_cancer pathway. abacavir kidney_cancer GAP_LOW 0.1149 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs kidney_cancer targets. Cross-check abacavir pharmacophore against kidney_cancer pathway. melatonin penile_cancer GAP_LOW 0.1149 0.1 dexamethasone Low-priority: Computational docking melatonin vs penile_cancer targets. Cross-check melatonin pharmacophore against penile_cancer pathway. stanozolol larynx_cancer GAP_LOW 0.1149 0.1 docetaxel Low-priority: Computational docking stanozolol vs larynx_cancer targets. Cross-check stanozolol pharmacophore against larynx_cancer pathway. felypressin endogenous_depression GAP_LOW 0.1149 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs endogenous_depression targets. Cross-check felypressin pharmacophore against endogenous_depression pathway. felypressin psoriasis GAP_LOW 0.1149 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs psoriasis targets. Cross-check felypressin pharmacophore against psoriasis pathway. metoclopramide leprosy GAP_LOW 0.1149 0.08333333333333333 phenmetrazine Low-priority: Computational docking metoclopramide vs leprosy targets. Cross-check metoclopramide pharmacophore against leprosy pathway. terlipressin psoriasis GAP_LOW 0.1149 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs psoriasis targets. Cross-check terlipressin pharmacophore against psoriasis pathway. indomethacin larynx_cancer GAP_LOW 0.1149 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs larynx_cancer targets. Cross-check indomethacin pharmacophore against larynx_cancer pathway. glucosamine alcohol_dependence GAP_LOW 0.1149 0.07407407407407407 naloxone Low-priority: Computational docking glucosamine vs alcohol_dependence targets. Cross-check glucosamine pharmacophore against alcohol_dependence pathway. suprofen leprosy GAP_LOW 0.1149 0.06896551724137931 sulfapyridine Low-priority: Computational docking suprofen vs leprosy targets. Cross-check suprofen pharmacophore against leprosy pathway. prazepam refractive_error GAP_LOW 0.1149 0.06666666666666667 practolol Low-priority: Computational docking prazepam vs refractive_error targets. Cross-check prazepam pharmacophore against refractive_error pathway. l-asparagine psoriasis GAP_LOW 0.1149 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs psoriasis targets. Cross-check l-asparagine pharmacophore against psoriasis pathway. l-asparagine ulcerative_colitis GAP_LOW 0.1149 0.0625 phenylpropanolamine Low-priority: Computational docking l-asparagine vs ulcerative_colitis targets. Cross-check l-asparagine pharmacophore against ulcerative_colitis pathway. nabumetone gilles_de_la_tourette_syndrome GAP_LOW 0.1149 0.058823529411764705 diphemanil_methylsulfate Low-priority: Computational docking nabumetone vs gilles_de_la_tourette_syndrome targets. Cross-check nabumetone pharmacophore against gilles_de_la_tourette_syndrome pathway. l-cysteine celiac_disease GAP_LOW 0.1149 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs celiac_disease targets. Cross-check l-cysteine pharmacophore against celiac_disease pathway. ribavirin bone_cancer GAP_LOW 0.1149 0.041666666666666664 tetrahydrofolic_acid Low-priority: Computational docking ribavirin vs bone_cancer targets. Cross-check ribavirin pharmacophore against bone_cancer pathway. amphetamine focal_segmental_glomerulosclerosis GAP_LOW 0.1149 0.02857142857142857 fenoprofen Low-priority: Computational docking amphetamine vs focal_segmental_glomerulosclerosis targets. Cross-check amphetamine pharmacophore against focal_segmental_glomerulosclerosis pathway. imipramine leprosy GAP_LOW 0.1149 0.022222222222222223 phensuximide Low-priority: Computational docking imipramine vs leprosy targets. Cross-check imipramine pharmacophore against leprosy pathway. alfacalcidol leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking alfacalcidol vs leprosy targets. Cross-check alfacalcidol pharmacophore against leprosy pathway. calcidiol leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking calcidiol vs leprosy targets. Cross-check calcidiol pharmacophore against leprosy pathway. calcipotriol leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking calcipotriol vs leprosy targets. Cross-check calcipotriol pharmacophore against leprosy pathway. ceruletide leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking ceruletide vs leprosy targets. Cross-check ceruletide pharmacophore against leprosy pathway. chlorphenesin leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking chlorphenesin vs leprosy targets. Cross-check chlorphenesin pharmacophore against leprosy pathway. doxapram leprosy GAP_LOW 0.1149 0.0 sulfapyridine Low-priority: Computational docking doxapram vs leprosy targets. Cross-check doxapram pharmacophore against leprosy pathway. thiamylal pharynx_cancer GAP_LOW 0.1149 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs pharynx_cancer targets. Cross-check thiamylal pharmacophore against pharynx_cancer pathway. amitriptyline thyroid_cancer GAP_HIGH 0.1148 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in thyroid_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) pirenzepine thyroid_cancer GAP_HIGH 0.1148 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.30) chlordiazepoxide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1148 0.2857142857142857 azatadine High-priority: Binding assay chlordiazepoxide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.29) doxorubicin metabolic_syndrome_x GAP_HIGH 0.1148 0.2727272727272727 benazepril High-priority: Binding assay doxorubicin→?; validate in metabolic_syndrome_x cell model. Expected: similar to benazepril (Jaccard=0.27) isopropamide meningioma GAP_HIGH 0.1148 0.2631578947368421 phenylbutazone High-priority: Binding assay isopropamide→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.26) fosphenytoin chronic_kidney_failure GAP_HIGH 0.1148 0.2222222222222222 chlorprothixene High-priority: Binding assay fosphenytoin→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.22) sulfaphenazole salivary_gland_cancer GAP_HIGH 0.1148 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in salivary_gland_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) vidarabine type_2_diabetes_mellitus GAP_HIGH 0.1148 0.19047619047619047 gemcitabine High-priority: Binding assay vidarabine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to gemcitabine (Jaccard=0.19) lisinopril gilles_de_la_tourette_syndrome GAP_HIGH 0.1148 0.18181818181818182 alvimopan High-priority: Binding assay lisinopril→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.18) tretinoin sclerosing_cholangitis GAP_LOW 0.1148 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs sclerosing_cholangitis targets. Cross-check tretinoin pharmacophore against sclerosing_cholangitis pathway. ethylmorphine glaucoma GAP_LOW 0.1148 0.13333333333333333 metaraminol Low-priority: Computational docking ethylmorphine vs glaucoma targets. Cross-check ethylmorphine pharmacophore against glaucoma pathway. calcitriol chronic_obstructive_pulmonary_disease GAP_LOW 0.1148 0.125 loteprednol Low-priority: Computational docking calcitriol vs chronic_obstructive_pulmonary_disease targets. Cross-check calcitriol pharmacophore against chronic_obstructive_pulmonary_disease pathway. calcitriol thyroid_cancer GAP_LOW 0.1148 0.125 loteprednol Low-priority: Computational docking calcitriol vs thyroid_cancer targets. Cross-check calcitriol pharmacophore against thyroid_cancer pathway. paricalcitol creutzfeldt-jakob_disease GAP_LOW 0.1148 0.125 pimozide Low-priority: Computational docking paricalcitol vs creutzfeldt-jakob_disease targets. Cross-check paricalcitol pharmacophore against creutzfeldt-jakob_disease pathway. abacavir nephrolithiasis GAP_LOW 0.1148 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs nephrolithiasis targets. Cross-check abacavir pharmacophore against nephrolithiasis pathway. flurazepam focal_segmental_glomerulosclerosis GAP_LOW 0.1148 0.11764705882352941 chlorthalidone Low-priority: Computational docking flurazepam vs focal_segmental_glomerulosclerosis targets. Cross-check flurazepam pharmacophore against focal_segmental_glomerulosclerosis pathway. prazepam peripheral_nervous_system_neoplasm GAP_LOW 0.1148 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs peripheral_nervous_system_neoplasm targets. Cross-check prazepam pharmacophore against peripheral_nervous_system_neoplasm pathway. prazepam urinary_bladder_cancer GAP_LOW 0.1148 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs urinary_bladder_cancer targets. Cross-check prazepam pharmacophore against urinary_bladder_cancer pathway. felypressin migraine GAP_LOW 0.1148 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs migraine targets. Cross-check felypressin pharmacophore against migraine pathway. felypressin multiple_sclerosis GAP_LOW 0.1148 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs multiple_sclerosis targets. Cross-check felypressin pharmacophore against multiple_sclerosis pathway. felypressin osteoporosis GAP_LOW 0.1148 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs osteoporosis targets. Cross-check felypressin pharmacophore against osteoporosis pathway. terlipressin migraine GAP_LOW 0.1148 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs migraine targets. Cross-check terlipressin pharmacophore against migraine pathway. terlipressin osteoporosis GAP_LOW 0.1148 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs osteoporosis targets. Cross-check terlipressin pharmacophore against osteoporosis pathway. terlipressin ovarian_cancer GAP_LOW 0.1148 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs ovarian_cancer targets. Cross-check terlipressin pharmacophore against ovarian_cancer pathway. hydrochlorothiazide esophageal_cancer GAP_LOW 0.1148 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs esophageal_cancer targets. Cross-check hydrochlorothiazide pharmacophore against esophageal_cancer pathway. imipramine dilated_cardiomyopathy GAP_LOW 0.1148 0.07692307692307693 trandolapril Low-priority: Computational docking imipramine vs dilated_cardiomyopathy targets. Cross-check imipramine pharmacophore against dilated_cardiomyopathy pathway. travoprost pancreatitis GAP_LOW 0.1148 0.07142857142857142 lidocaine Low-priority: Computational docking travoprost vs pancreatitis targets. Cross-check travoprost pharmacophore against pancreatitis pathway. chlorthalidone gestational_diabetes GAP_LOW 0.1148 0.058823529411764705 glisoxepide Low-priority: Computational docking chlorthalidone vs gestational_diabetes targets. Cross-check chlorthalidone pharmacophore against gestational_diabetes pathway. nabumetone esophageal_cancer GAP_LOW 0.1148 0.05555555555555555 exemestane Low-priority: Computational docking nabumetone vs esophageal_cancer targets. Cross-check nabumetone pharmacophore against esophageal_cancer pathway. l-citrulline celiac_disease GAP_LOW 0.1148 0.05263157894736842 adenine Low-priority: Computational docking l-citrulline vs celiac_disease targets. Cross-check l-citrulline pharmacophore against celiac_disease pathway. clofarabine bone_cancer GAP_LOW 0.1148 0.043478260869565216 tetrahydrofolic_acid Low-priority: Computational docking clofarabine vs bone_cancer targets. Cross-check clofarabine pharmacophore against bone_cancer pathway. olanzapine gestational_diabetes GAP_LOW 0.1148 0.041666666666666664 bezafibrate Low-priority: Computational docking olanzapine vs gestational_diabetes targets. Cross-check olanzapine pharmacophore against gestational_diabetes pathway. etoricoxib conduct_disorder GAP_HIGH 0.1147 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in conduct_disorder cell model. Expected: similar to quinethazone (Jaccard=0.31) etoricoxib panic_disorder GAP_HIGH 0.1147 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in panic_disorder cell model. Expected: similar to quinethazone (Jaccard=0.31) etoricoxib schizophrenia GAP_HIGH 0.1147 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in schizophrenia cell model. Expected: similar to quinethazone (Jaccard=0.31) norethindrone mediastinal_cancer GAP_HIGH 0.1147 0.2857142857142857 cortisone_acetate High-priority: Binding assay norethindrone→?; validate in mediastinal_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.29) ketorolac uterine_cancer GAP_HIGH 0.1147 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in uterine_cancer cell model. Expected: similar to alvimopan (Jaccard=0.22) testosterone obesity GAP_HIGH 0.1147 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in obesity cell model. Expected: similar to drospirenone (Jaccard=0.22) amoxapine mediastinal_cancer GAP_HIGH 0.1147 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) chloroprocaine malignant_mesothelioma GAP_HIGH 0.1147 0.21052631578947367 warfarin High-priority: Binding assay chloroprocaine→?; validate in malignant_mesothelioma cell model. Expected: similar to warfarin (Jaccard=0.21) clodronate membranous_glomerulonephritis GAP_HIGH 0.1147 0.2 metolazone High-priority: Binding assay clodronate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to metolazone (Jaccard=0.20) teniposide sclerosing_cholangitis GAP_HIGH 0.1147 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in sclerosing_cholangitis cell model. Expected: similar to epirubicin (Jaccard=0.20) sulfaphenazole muscle_cancer GAP_HIGH 0.1147 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in muscle_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) sulfamethizole hypertension GAP_HIGH 0.1147 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in hypertension cell model. Expected: similar to polythiazide (Jaccard=0.19) crizotinib esophageal_cancer GAP_HIGH 0.1147 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) anisotropine_methylbromide systemic_scleroderma GAP_HIGH 0.1147 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in systemic_scleroderma cell model. Expected: similar to heroin (Jaccard=0.17) calcipotriol alzheimers_disease GAP_LOW 0.1147 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs alzheimers_disease targets. Cross-check calcipotriol pharmacophore against alzheimers_disease pathway. hydromorphone crohns_disease GAP_LOW 0.1147 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs crohns_disease targets. Cross-check hydromorphone pharmacophore against crohns_disease pathway. clotrimazole leprosy GAP_LOW 0.1147 0.125 phenmetrazine Low-priority: Computational docking clotrimazole vs leprosy targets. Cross-check clotrimazole pharmacophore against leprosy pathway. conjugated_estrogens azoospermia GAP_LOW 0.1147 0.125 dienestrol Low-priority: Computational docking conjugated_estrogens vs azoospermia targets. Cross-check conjugated_estrogens pharmacophore against azoospermia pathway. gliclazide creutzfeldt-jakob_disease GAP_LOW 0.1147 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs creutzfeldt-jakob_disease targets. Cross-check gliclazide pharmacophore against creutzfeldt-jakob_disease pathway. nilotinib kidney_cancer GAP_LOW 0.1147 0.10526315789473684 gliclazide Low-priority: Computational docking nilotinib vs kidney_cancer targets. Cross-check nilotinib pharmacophore against kidney_cancer pathway. dasatinib type_1_diabetes_mellitus GAP_LOW 0.1147 0.1 gliclazide Low-priority: Computational docking dasatinib vs type_1_diabetes_mellitus targets. Cross-check dasatinib pharmacophore against type_1_diabetes_mellitus pathway. sulfanilamide alopecia_areata GAP_LOW 0.1147 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs alopecia_areata targets. Cross-check sulfanilamide pharmacophore against alopecia_areata pathway. tolbutamide creutzfeldt-jakob_disease GAP_LOW 0.1147 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs creutzfeldt-jakob_disease targets. Cross-check tolbutamide pharmacophore against creutzfeldt-jakob_disease pathway. tolbutamide sclerosing_cholangitis GAP_LOW 0.1147 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs sclerosing_cholangitis targets. Cross-check tolbutamide pharmacophore against sclerosing_cholangitis pathway. lercanidipine duodenum_cancer GAP_LOW 0.1147 0.047619047619047616 naftifine Low-priority: Computational docking lercanidipine vs duodenum_cancer targets. Cross-check lercanidipine pharmacophore against duodenum_cancer pathway. lercanidipine gallbladder_cancer GAP_LOW 0.1147 0.047619047619047616 naftifine Low-priority: Computational docking lercanidipine vs gallbladder_cancer targets. Cross-check lercanidipine pharmacophore against gallbladder_cancer pathway. l-cysteine larynx_cancer GAP_LOW 0.1147 0.02 doxorubicin Low-priority: Computational docking l-cysteine vs larynx_cancer targets. Cross-check l-cysteine pharmacophore against larynx_cancer pathway. candesartan head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking candesartan vs head_and_neck_cancer targets. Cross-check candesartan pharmacophore against head_and_neck_cancer pathway. candesartan malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking candesartan vs malignant_glioma targets. Cross-check candesartan pharmacophore against malignant_glioma pathway. dextropropoxyphene head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs head_and_neck_cancer targets. Cross-check dextropropoxyphene pharmacophore against head_and_neck_cancer pathway. dextropropoxyphene malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking dextropropoxyphene vs malignant_glioma targets. Cross-check dextropropoxyphene pharmacophore against malignant_glioma pathway. labetalol head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking labetalol vs head_and_neck_cancer targets. Cross-check labetalol pharmacophore against head_and_neck_cancer pathway. labetalol malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking labetalol vs malignant_glioma targets. Cross-check labetalol pharmacophore against malignant_glioma pathway. mannitol head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking mannitol vs head_and_neck_cancer targets. Cross-check mannitol pharmacophore against head_and_neck_cancer pathway. mannitol malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking mannitol vs malignant_glioma targets. Cross-check mannitol pharmacophore against malignant_glioma pathway. nicardipine head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs head_and_neck_cancer targets. Cross-check nicardipine pharmacophore against head_and_neck_cancer pathway. nicardipine malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs malignant_glioma targets. Cross-check nicardipine pharmacophore against malignant_glioma pathway. nilvadipine head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs head_and_neck_cancer targets. Cross-check nilvadipine pharmacophore against head_and_neck_cancer pathway. nilvadipine malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs malignant_glioma targets. Cross-check nilvadipine pharmacophore against malignant_glioma pathway. olmesartan head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs head_and_neck_cancer targets. Cross-check olmesartan pharmacophore against head_and_neck_cancer pathway. olmesartan malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking olmesartan vs malignant_glioma targets. Cross-check olmesartan pharmacophore against malignant_glioma pathway. pravastatin head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs head_and_neck_cancer targets. Cross-check pravastatin pharmacophore against head_and_neck_cancer pathway. pravastatin malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs malignant_glioma targets. Cross-check pravastatin pharmacophore against malignant_glioma pathway. solifenacin head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking solifenacin vs head_and_neck_cancer targets. Cross-check solifenacin pharmacophore against head_and_neck_cancer pathway. solifenacin malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking solifenacin vs malignant_glioma targets. Cross-check solifenacin pharmacophore against malignant_glioma pathway. tauroursodeoxycholic_acid head_and_neck_cancer GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs head_and_neck_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against head_and_neck_cancer pathway. tauroursodeoxycholic_acid malignant_glioma GAP_LOW 0.1147 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs malignant_glioma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against malignant_glioma pathway. flurbiprofen pharynx_cancer GAP_HIGH 0.1146 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in pharynx_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) etoricoxib bipolar_disorder GAP_HIGH 0.1146 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in bipolar_disorder cell model. Expected: similar to quinethazone (Jaccard=0.31) droxidopa meningioma GAP_HIGH 0.1146 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.29) norethindrone thymus_cancer GAP_HIGH 0.1146 0.2857142857142857 cortisone_acetate High-priority: Binding assay norethindrone→?; validate in thymus_cancer cell model. Expected: similar to cortisone_acetate (Jaccard=0.29) amoxapine thymus_cancer GAP_HIGH 0.1146 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) lapatinib amyotrophic_lateral_sclerosis GAP_HIGH 0.1146 0.2 rasagiline High-priority: Binding assay lapatinib→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to rasagiline (Jaccard=0.20) pimozide skin_cancer GAP_HIGH 0.1146 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in skin_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) tranylcypromine mediastinal_cancer GAP_HIGH 0.1146 0.2 warfarin High-priority: Binding assay tranylcypromine→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) sulfaphenazole ocular_cancer GAP_HIGH 0.1146 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in ocular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) chlorphenesin prostate_cancer GAP_HIGH 0.1146 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in prostate_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) flurazepam metabolic_syndrome_x GAP_HIGH 0.1146 0.16666666666666666 chlordiazepoxide High-priority: Binding assay flurazepam→?; validate in metabolic_syndrome_x cell model. Expected: similar to chlordiazepoxide (Jaccard=0.17) imipramine germ_cell_cancer GAP_HIGH 0.1146 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) isocarboxazid stomach_cancer GAP_HIGH 0.1146 0.16666666666666666 l-dopa High-priority: Binding assay isocarboxazid→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.17) calcipotriol amyotrophic_lateral_sclerosis GAP_LOW 0.1146 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs amyotrophic_lateral_sclerosis targets. Cross-check calcipotriol pharmacophore against amyotrophic_lateral_sclerosis pathway. calcipotriol autistic_disorder GAP_LOW 0.1146 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs autistic_disorder targets. Cross-check calcipotriol pharmacophore against autistic_disorder pathway. calcipotriol nicotine_dependence GAP_LOW 0.1146 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs nicotine_dependence targets. Cross-check calcipotriol pharmacophore against nicotine_dependence pathway. calcipotriol parkinsons_disease GAP_LOW 0.1146 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs parkinsons_disease targets. Cross-check calcipotriol pharmacophore against parkinsons_disease pathway. nortriptyline alcohol_dependence GAP_LOW 0.1146 0.14285714285714285 temazepam Low-priority: Computational docking nortriptyline vs alcohol_dependence targets. Cross-check nortriptyline pharmacophore against alcohol_dependence pathway. chlorpropamide bipolar_disorder GAP_LOW 0.1146 0.13333333333333333 telmisartan Low-priority: Computational docking chlorpropamide vs bipolar_disorder targets. Cross-check chlorpropamide pharmacophore against bipolar_disorder pathway. dapsone coronary_artery_disease GAP_LOW 0.1146 0.125 nateglinide Low-priority: Computational docking dapsone vs coronary_artery_disease targets. Cross-check dapsone pharmacophore against coronary_artery_disease pathway. dapsone narcolepsy GAP_LOW 0.1146 0.125 nateglinide Low-priority: Computational docking dapsone vs narcolepsy targets. Cross-check dapsone pharmacophore against narcolepsy pathway. paclitaxel alcohol_dependence GAP_LOW 0.1146 0.125 naloxone Low-priority: Computational docking paclitaxel vs alcohol_dependence targets. Cross-check paclitaxel pharmacophore against alcohol_dependence pathway. pemetrexed celiac_disease GAP_LOW 0.1146 0.125 sorafenib Low-priority: Computational docking pemetrexed vs celiac_disease targets. Cross-check pemetrexed pharmacophore against celiac_disease pathway. pamidronate acquired_immunodeficiency_syndrome GAP_LOW 0.1146 0.11764705882352941 nateglinide Low-priority: Computational docking pamidronate vs acquired_immunodeficiency_syndrome targets. Cross-check pamidronate pharmacophore against acquired_immunodeficiency_syndrome pathway. methotrexate leprosy GAP_LOW 0.1146 0.09090909090909091 menadione Low-priority: Computational docking methotrexate vs leprosy targets. Cross-check methotrexate pharmacophore against leprosy pathway. arformoterol alopecia_areata GAP_LOW 0.1146 0.08333333333333333 estrone Low-priority: Computational docking arformoterol vs alopecia_areata targets. Cross-check arformoterol pharmacophore against alopecia_areata pathway. felypressin systemic_lupus_erythematosus GAP_LOW 0.1146 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs systemic_lupus_erythematosus targets. Cross-check felypressin pharmacophore against systemic_lupus_erythematosus pathway. terlipressin systemic_lupus_erythematosus GAP_LOW 0.1146 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs systemic_lupus_erythematosus targets. Cross-check terlipressin pharmacophore against systemic_lupus_erythematosus pathway. metaraminol malaria GAP_LOW 0.1146 0.07692307692307693 modafinil Low-priority: Computational docking metaraminol vs malaria targets. Cross-check metaraminol pharmacophore against malaria pathway. oxazepam bone_cancer GAP_LOW 0.1146 0.07692307692307693 alendronate Low-priority: Computational docking oxazepam vs bone_cancer targets. Cross-check oxazepam pharmacophore against bone_cancer pathway. midodrine germ_cell_cancer GAP_LOW 0.1146 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs germ_cell_cancer targets. Cross-check midodrine pharmacophore against germ_cell_cancer pathway. nabumetone kidney_cancer GAP_LOW 0.1146 0.06666666666666667 spironolactone Low-priority: Computational docking nabumetone vs kidney_cancer targets. Cross-check nabumetone pharmacophore against kidney_cancer pathway. nabumetone nephrolithiasis GAP_LOW 0.1146 0.06666666666666667 spironolactone Low-priority: Computational docking nabumetone vs nephrolithiasis targets. Cross-check nabumetone pharmacophore against nephrolithiasis pathway. treprostinil meningioma GAP_LOW 0.1146 0.06666666666666667 ifenprodil Low-priority: Computational docking treprostinil vs meningioma targets. Cross-check treprostinil pharmacophore against meningioma pathway. latanoprost kidney_cancer GAP_LOW 0.1146 0.0625 spironolactone Low-priority: Computational docking latanoprost vs kidney_cancer targets. Cross-check latanoprost pharmacophore against kidney_cancer pathway. streptozocin melanoma GAP_LOW 0.1146 0.0625 droxidopa Low-priority: Computational docking streptozocin vs melanoma targets. Cross-check streptozocin pharmacophore against melanoma pathway. prazepam alopecia_areata GAP_LOW 0.1146 0.05263157894736842 levorphanol Low-priority: Computational docking prazepam vs alopecia_areata targets. Cross-check prazepam pharmacophore against alopecia_areata pathway. remifentanil alcohol_dependence GAP_LOW 0.1146 0.024390243902439025 mazindol Low-priority: Computational docking remifentanil vs alcohol_dependence targets. Cross-check remifentanil pharmacophore against alcohol_dependence pathway. amitriptyline pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking amitriptyline vs pagets_disease_of_bone targets. Cross-check amitriptyline pharmacophore against pagets_disease_of_bone pathway. bepridil pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking bepridil vs pagets_disease_of_bone targets. Cross-check bepridil pharmacophore against pagets_disease_of_bone pathway. diethylstilbestrol pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking diethylstilbestrol vs pagets_disease_of_bone targets. Cross-check diethylstilbestrol pharmacophore against pagets_disease_of_bone pathway. mannitol kidney_cancer GAP_LOW 0.1146 0.0 oxybuprocaine Low-priority: Computational docking mannitol vs kidney_cancer targets. Cross-check mannitol pharmacophore against kidney_cancer pathway. megestrol_acetate pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking megestrol_acetate vs pagets_disease_of_bone targets. Cross-check megestrol_acetate pharmacophore against pagets_disease_of_bone pathway. norethindrone pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking norethindrone vs pagets_disease_of_bone targets. Cross-check norethindrone pharmacophore against pagets_disease_of_bone pathway. oxaprozin pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking oxaprozin vs pagets_disease_of_bone targets. Cross-check oxaprozin pharmacophore against pagets_disease_of_bone pathway. pravastatin kidney_cancer GAP_LOW 0.1146 0.0 oxybuprocaine Low-priority: Computational docking pravastatin vs kidney_cancer targets. Cross-check pravastatin pharmacophore against kidney_cancer pathway. tauroursodeoxycholic_acid kidney_cancer GAP_LOW 0.1146 0.0 oxybuprocaine Low-priority: Computational docking tauroursodeoxycholic_acid vs kidney_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against kidney_cancer pathway. vindesine pagets_disease_of_bone GAP_LOW 0.1146 0.0 ibandronate Low-priority: Computational docking vindesine vs pagets_disease_of_bone targets. Cross-check vindesine pharmacophore against pagets_disease_of_bone pathway. warfarin meningioma GAP_HIGH 0.1145 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.33) perphenazine melanoma GAP_HIGH 0.1145 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.32) etoricoxib endogenous_depression GAP_HIGH 0.1145 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in endogenous_depression cell model. Expected: similar to quinethazone (Jaccard=0.31) tiaprofenic_acid sclerosing_cholangitis GAP_HIGH 0.1145 0.3 salsalate High-priority: Binding assay tiaprofenic_acid→?; validate in sclerosing_cholangitis cell model. Expected: similar to salsalate (Jaccard=0.30) methotrexate breast_cancer GAP_HIGH 0.1145 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in breast_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) methotrexate colon_cancer GAP_HIGH 0.1145 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in colon_cancer cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) cinnarizine melanoma GAP_HIGH 0.1145 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.23) phenprocoumon chronic_kidney_failure GAP_HIGH 0.1145 0.23076923076923078 promethazine High-priority: Binding assay phenprocoumon→?; validate in chronic_kidney_failure cell model. Expected: similar to promethazine (Jaccard=0.23) pimozide vaginal_cancer GAP_HIGH 0.1145 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in vaginal_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) pimozide vulva_cancer GAP_HIGH 0.1145 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in vulva_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) imipramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1145 0.17647058823529413 propafenone High-priority: Binding assay imipramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.18) ospemifene colon_cancer GAP_HIGH 0.1145 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in colon_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene stomach_cancer GAP_HIGH 0.1145 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in stomach_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) isocarboxazid celiac_disease GAP_LOW 0.1145 0.13636363636363635 phenacemide Low-priority: Computational docking isocarboxazid vs celiac_disease targets. Cross-check isocarboxazid pharmacophore against celiac_disease pathway. calcitriol salivary_gland_cancer GAP_LOW 0.1145 0.125 loteprednol Low-priority: Computational docking calcitriol vs salivary_gland_cancer targets. Cross-check calcitriol pharmacophore against salivary_gland_cancer pathway. chlorpropamide meningioma GAP_LOW 0.1145 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs meningioma targets. Cross-check chlorpropamide pharmacophore against meningioma pathway. hydrochlorothiazide pancreatic_cancer GAP_LOW 0.1145 0.1111111111111111 dapsone Low-priority: Computational docking hydrochlorothiazide vs pancreatic_cancer targets. Cross-check hydrochlorothiazide pharmacophore against pancreatic_cancer pathway. zolpidem pharynx_cancer GAP_LOW 0.1145 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs pharynx_cancer targets. Cross-check zolpidem pharmacophore against pharynx_cancer pathway. ceruletide vitiligo GAP_LOW 0.1145 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs vitiligo targets. Cross-check ceruletide pharmacophore against vitiligo pathway. dihydrotachysterol glaucoma GAP_LOW 0.1145 0.1 methacholine Low-priority: Computational docking dihydrotachysterol vs glaucoma targets. Cross-check dihydrotachysterol pharmacophore against glaucoma pathway. regadenoson brain_cancer GAP_LOW 0.1145 0.1 methotrexate Low-priority: Computational docking regadenoson vs brain_cancer targets. Cross-check regadenoson pharmacophore against brain_cancer pathway. regadenoson intracranial_aneurysm GAP_LOW 0.1145 0.1 methotrexate Low-priority: Computational docking regadenoson vs intracranial_aneurysm targets. Cross-check regadenoson pharmacophore against intracranial_aneurysm pathway. benzocaine focal_segmental_glomerulosclerosis GAP_LOW 0.1145 0.09090909090909091 moricizine Low-priority: Computational docking benzocaine vs focal_segmental_glomerulosclerosis targets. Cross-check benzocaine pharmacophore against focal_segmental_glomerulosclerosis pathway. nabumetone narcolepsy GAP_LOW 0.1145 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs narcolepsy targets. Cross-check nabumetone pharmacophore against narcolepsy pathway. nabumetone germ_cell_cancer GAP_LOW 0.1145 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs germ_cell_cancer targets. Cross-check nabumetone pharmacophore against germ_cell_cancer pathway. treprostinil muscle_cancer GAP_LOW 0.1145 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs muscle_cancer targets. Cross-check treprostinil pharmacophore against muscle_cancer pathway. dyphylline nephrolithiasis GAP_LOW 0.1145 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs nephrolithiasis targets. Cross-check dyphylline pharmacophore against nephrolithiasis pathway. latanoprost nephrolithiasis GAP_LOW 0.1145 0.0625 spironolactone Low-priority: Computational docking latanoprost vs nephrolithiasis targets. Cross-check latanoprost pharmacophore against nephrolithiasis pathway. l-asparagine pancreatic_cancer GAP_LOW 0.1145 0.06060606060606061 pargyline Low-priority: Computational docking l-asparagine vs pancreatic_cancer targets. Cross-check l-asparagine pharmacophore against pancreatic_cancer pathway. midodrine acquired_immunodeficiency_syndrome GAP_LOW 0.1145 0.015151515151515152 adenosine_monophosphate Low-priority: Computational docking midodrine vs acquired_immunodeficiency_syndrome targets. Cross-check midodrine pharmacophore against acquired_immunodeficiency_syndrome pathway. antipyrine dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking antipyrine vs dilated_cardiomyopathy targets. Cross-check antipyrine pharmacophore against dilated_cardiomyopathy pathway. bimatoprost bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking bimatoprost vs bone_cancer targets. Cross-check bimatoprost pharmacophore against bone_cancer pathway. bimatoprost gestational_diabetes GAP_LOW 0.1145 0.0 tolazamide Low-priority: Computational docking bimatoprost vs gestational_diabetes targets. Cross-check bimatoprost pharmacophore against gestational_diabetes pathway. chlorpropamide bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking chlorpropamide vs bone_cancer targets. Cross-check chlorpropamide pharmacophore against bone_cancer pathway. dextropropoxyphene refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking dextropropoxyphene vs refractive_error targets. Cross-check dextropropoxyphene pharmacophore against refractive_error pathway. dyphylline dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking dyphylline vs dilated_cardiomyopathy targets. Cross-check dyphylline pharmacophore against dilated_cardiomyopathy pathway. emtricitabine gestational_diabetes GAP_LOW 0.1145 0.0 tolazamide Low-priority: Computational docking emtricitabine vs gestational_diabetes targets. Cross-check emtricitabine pharmacophore against gestational_diabetes pathway. ephedrine bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking ephedrine vs bone_cancer targets. Cross-check ephedrine pharmacophore against bone_cancer pathway. fenbufen dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking fenbufen vs dilated_cardiomyopathy targets. Cross-check fenbufen pharmacophore against dilated_cardiomyopathy pathway. flavin_adenine_dinucleotide gestational_diabetes GAP_LOW 0.1145 0.0 tolazamide Low-priority: Computational docking flavin_adenine_dinucleotide vs gestational_diabetes targets. Cross-check flavin_adenine_dinucleotide pharmacophore against gestational_diabetes pathway. flutamide refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking flutamide vs refractive_error targets. Cross-check flutamide pharmacophore against refractive_error pathway. glimepiride nephrolithiasis GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking glimepiride vs nephrolithiasis targets. Cross-check glimepiride pharmacophore against nephrolithiasis pathway. glipizide nephrolithiasis GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking glipizide vs nephrolithiasis targets. Cross-check glipizide pharmacophore against nephrolithiasis pathway. ketazolam dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking ketazolam vs dilated_cardiomyopathy targets. Cross-check ketazolam pharmacophore against dilated_cardiomyopathy pathway. labetalol refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking labetalol vs refractive_error targets. Cross-check labetalol pharmacophore against refractive_error pathway. latanoprost bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking latanoprost vs bone_cancer targets. Cross-check latanoprost pharmacophore against bone_cancer pathway. mannitol nephrolithiasis GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking mannitol vs nephrolithiasis targets. Cross-check mannitol pharmacophore against nephrolithiasis pathway. methsuximide dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking methsuximide vs dilated_cardiomyopathy targets. Cross-check methsuximide pharmacophore against dilated_cardiomyopathy pathway. naloxone bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking naloxone vs bone_cancer targets. Cross-check naloxone pharmacophore against bone_cancer pathway. nicardipine refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking nicardipine vs refractive_error targets. Cross-check nicardipine pharmacophore against refractive_error pathway. nilvadipine refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking nilvadipine vs refractive_error targets. Cross-check nilvadipine pharmacophore against refractive_error pathway. nitisinone refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking nitisinone vs refractive_error targets. Cross-check nitisinone pharmacophore against refractive_error pathway. olmesartan refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking olmesartan vs refractive_error targets. Cross-check olmesartan pharmacophore against refractive_error pathway. polythiazide dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking polythiazide vs dilated_cardiomyopathy targets. Cross-check polythiazide pharmacophore against dilated_cardiomyopathy pathway. pomalidomide bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking pomalidomide vs bone_cancer targets. Cross-check pomalidomide pharmacophore against bone_cancer pathway. pravastatin nephrolithiasis GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs nephrolithiasis targets. Cross-check pravastatin pharmacophore against nephrolithiasis pathway. pravastatin refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking pravastatin vs refractive_error targets. Cross-check pravastatin pharmacophore against refractive_error pathway. prazepam dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking prazepam vs dilated_cardiomyopathy targets. Cross-check prazepam pharmacophore against dilated_cardiomyopathy pathway. solifenacin refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking solifenacin vs refractive_error targets. Cross-check solifenacin pharmacophore against refractive_error pathway. tauroursodeoxycholic_acid nephrolithiasis GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs nephrolithiasis targets. Cross-check tauroursodeoxycholic_acid pharmacophore against nephrolithiasis pathway. tauroursodeoxycholic_acid refractive_error GAP_LOW 0.1145 0.0 pirbuterol Low-priority: Computational docking tauroursodeoxycholic_acid vs refractive_error targets. Cross-check tauroursodeoxycholic_acid pharmacophore against refractive_error pathway. theophylline dilated_cardiomyopathy GAP_LOW 0.1145 0.0 hydrocortisone Low-priority: Computational docking theophylline vs dilated_cardiomyopathy targets. Cross-check theophylline pharmacophore against dilated_cardiomyopathy pathway. tolbutamide bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking tolbutamide vs bone_cancer targets. Cross-check tolbutamide pharmacophore against bone_cancer pathway. travoprost bone_cancer GAP_LOW 0.1145 0.0 ibandronate Low-priority: Computational docking travoprost vs bone_cancer targets. Cross-check travoprost pharmacophore against bone_cancer pathway. triamterene gestational_diabetes GAP_LOW 0.1145 0.0 tolazamide Low-priority: Computational docking triamterene vs gestational_diabetes targets. Cross-check triamterene pharmacophore against gestational_diabetes pathway. methadone gout GAP_HIGH 0.1144 0.41379310344827586 promazine High-priority: Binding assay methadone→?; validate in gout cell model. Expected: similar to promazine (Jaccard=0.41) progesterone head_and_neck_cancer GAP_HIGH 0.1144 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in head_and_neck_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) zuclopenthixol mediastinal_cancer GAP_HIGH 0.1144 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) etoricoxib multiple_sclerosis GAP_HIGH 0.1144 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in multiple_sclerosis cell model. Expected: similar to quinethazone (Jaccard=0.31) l-serine systemic_lupus_erythematosus GAP_HIGH 0.1144 0.2786885245901639 penicillamine High-priority: Binding assay l-serine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.28) doxorubicin obesity GAP_HIGH 0.1144 0.2727272727272727 benazepril High-priority: Binding assay doxorubicin→?; validate in obesity cell model. Expected: similar to benazepril (Jaccard=0.27) etoricoxib azoospermia GAP_HIGH 0.1144 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in azoospermia cell model. Expected: similar to ritodrine (Jaccard=0.27) adenosine_monophosphate systemic_scleroderma GAP_HIGH 0.1144 0.26229508196721313 vidarabine High-priority: Binding assay adenosine_monophosphate→?; validate in systemic_scleroderma cell model. Expected: similar to vidarabine (Jaccard=0.26) bevantolol mediastinal_cancer GAP_HIGH 0.1144 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in mediastinal_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) pimozide testicular_cancer GAP_HIGH 0.1144 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in testicular_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) tranylcypromine thymus_cancer GAP_HIGH 0.1144 0.2 warfarin High-priority: Binding assay tranylcypromine→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) danazol nicotine_dependence GAP_HIGH 0.1144 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.18) estradiol_valeratedienogest gilles_de_la_tourette_syndrome GAP_HIGH 0.1144 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) chlorphenesin mediastinal_cancer GAP_HIGH 0.1144 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in mediastinal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) chlorphenesin primary_biliary_cirrhosis GAP_HIGH 0.1144 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to pantoprazole (Jaccard=0.17) ospemifene pancreatic_cancer GAP_HIGH 0.1144 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in pancreatic_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) hydromorphone idiopathic_pulmonary_fibrosis GAP_LOW 0.1144 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs idiopathic_pulmonary_fibrosis targets. Cross-check hydromorphone pharmacophore against idiopathic_pulmonary_fibrosis pathway. norelgestromin creutzfeldt-jakob_disease GAP_LOW 0.1144 0.14285714285714285 dextromethorphan Low-priority: Computational docking norelgestromin vs creutzfeldt-jakob_disease targets. Cross-check norelgestromin pharmacophore against creutzfeldt-jakob_disease pathway. temazepam bone_cancer GAP_LOW 0.1144 0.14285714285714285 alendronate Low-priority: Computational docking temazepam vs bone_cancer targets. Cross-check temazepam pharmacophore against bone_cancer pathway. calcitriol muscle_cancer GAP_LOW 0.1144 0.125 loteprednol Low-priority: Computational docking calcitriol vs muscle_cancer targets. Cross-check calcitriol pharmacophore against muscle_cancer pathway. olanzapine larynx_cancer GAP_LOW 0.1144 0.125 alendronate Low-priority: Computational docking olanzapine vs larynx_cancer targets. Cross-check olanzapine pharmacophore against larynx_cancer pathway. paricalcitol ankylosing_spondylitis GAP_LOW 0.1144 0.125 zolpidem Low-priority: Computational docking paricalcitol vs ankylosing_spondylitis targets. Cross-check paricalcitol pharmacophore against ankylosing_spondylitis pathway. tripelennamine atherosclerosis GAP_LOW 0.1144 0.125 warfarin Low-priority: Computational docking tripelennamine vs atherosclerosis targets. Cross-check tripelennamine pharmacophore against atherosclerosis pathway. ephedrine primary_biliary_cirrhosis GAP_LOW 0.1144 0.1111111111111111 drospirenone Low-priority: Computational docking ephedrine vs primary_biliary_cirrhosis targets. Cross-check ephedrine pharmacophore against primary_biliary_cirrhosis pathway. pirbuterol gilles_de_la_tourette_syndrome GAP_LOW 0.1144 0.1111111111111111 tolterodine Low-priority: Computational docking pirbuterol vs gilles_de_la_tourette_syndrome targets. Cross-check pirbuterol pharmacophore against gilles_de_la_tourette_syndrome pathway. sotalol acquired_immunodeficiency_syndrome GAP_LOW 0.1144 0.10526315789473684 lisinopril Low-priority: Computational docking sotalol vs acquired_immunodeficiency_syndrome targets. Cross-check sotalol pharmacophore against acquired_immunodeficiency_syndrome pathway. theophylline ankylosing_spondylitis GAP_LOW 0.1144 0.1 nitrazepam Low-priority: Computational docking theophylline vs ankylosing_spondylitis targets. Cross-check theophylline pharmacophore against ankylosing_spondylitis pathway. phenelzine leprosy GAP_LOW 0.1144 0.09523809523809523 sulfamethizole Low-priority: Computational docking phenelzine vs leprosy targets. Cross-check phenelzine pharmacophore against leprosy pathway. benzocaine gilles_de_la_tourette_syndrome GAP_LOW 0.1144 0.09090909090909091 moricizine Low-priority: Computational docking benzocaine vs gilles_de_la_tourette_syndrome targets. Cross-check benzocaine pharmacophore against gilles_de_la_tourette_syndrome pathway. midodrine amyotrophic_lateral_sclerosis GAP_LOW 0.1144 0.09090909090909091 zolpidem Low-priority: Computational docking midodrine vs amyotrophic_lateral_sclerosis targets. Cross-check midodrine pharmacophore against amyotrophic_lateral_sclerosis pathway. felypressin skin_cancer GAP_LOW 0.1144 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs skin_cancer targets. Cross-check felypressin pharmacophore against skin_cancer pathway. terlipressin skin_cancer GAP_LOW 0.1144 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs skin_cancer targets. Cross-check terlipressin pharmacophore against skin_cancer pathway. lenalidomide atherosclerosis GAP_LOW 0.1144 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking lenalidomide vs atherosclerosis targets. Cross-check lenalidomide pharmacophore against atherosclerosis pathway. treprostinil lung_cancer GAP_LOW 0.1144 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs lung_cancer targets. Cross-check treprostinil pharmacophore against lung_cancer pathway. nabumetone celiac_disease GAP_LOW 0.1144 0.06666666666666667 spironolactone Low-priority: Computational docking nabumetone vs celiac_disease targets. Cross-check nabumetone pharmacophore against celiac_disease pathway. zafirlukast malaria GAP_LOW 0.1144 0.06666666666666667 sulfapyridine Low-priority: Computational docking zafirlukast vs malaria targets. Cross-check zafirlukast pharmacophore against malaria pathway. adenosine_monophosphate leprosy GAP_LOW 0.1144 0.031578947368421054 phensuximide Low-priority: Computational docking adenosine_monophosphate vs leprosy targets. Cross-check adenosine_monophosphate pharmacophore against leprosy pathway. l-asparagine lymphatic_system_cancer GAP_LOW 0.1144 0.0 vinblastine Low-priority: Computational docking l-asparagine vs lymphatic_system_cancer targets. Cross-check l-asparagine pharmacophore against lymphatic_system_cancer pathway. l-aspartic_acid lymphatic_system_cancer GAP_LOW 0.1144 0.0 vinblastine Low-priority: Computational docking l-aspartic_acid vs lymphatic_system_cancer targets. Cross-check l-aspartic_acid pharmacophore against lymphatic_system_cancer pathway. l-ornithine lymphatic_system_cancer GAP_LOW 0.1144 0.0 vinblastine Low-priority: Computational docking l-ornithine vs lymphatic_system_cancer targets. Cross-check l-ornithine pharmacophore against lymphatic_system_cancer pathway. linaclotide lymphatic_system_cancer GAP_LOW 0.1144 0.0 vinblastine Low-priority: Computational docking linaclotide vs lymphatic_system_cancer targets. Cross-check linaclotide pharmacophore against lymphatic_system_cancer pathway. amitriptyline muscle_cancer GAP_HIGH 0.1143 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in muscle_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) zuclopenthixol thymus_cancer GAP_HIGH 0.1143 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) flurbiprofen thyroid_cancer GAP_HIGH 0.1143 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in thyroid_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) etoricoxib migraine GAP_HIGH 0.1143 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in migraine cell model. Expected: similar to quinethazone (Jaccard=0.31) promethazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1143 0.3076923076923077 isopropamide High-priority: Binding assay promethazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.31) oxaprozin hematologic_cancer GAP_HIGH 0.1143 0.30434782608695654 azelastine High-priority: Binding assay oxaprozin→?; validate in hematologic_cancer cell model. Expected: similar to azelastine (Jaccard=0.30) pirenzepine muscle_cancer GAP_HIGH 0.1143 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.30) isoprenaline autistic_disorder GAP_HIGH 0.1143 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.29) isoprenaline nicotine_dependence GAP_HIGH 0.1143 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.29) procaine alzheimers_disease GAP_HIGH 0.1143 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in alzheimers_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine parkinsons_disease GAP_HIGH 0.1143 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in parkinsons_disease cell model. Expected: similar to tranylcypromine (Jaccard=0.25) bevantolol thymus_cancer GAP_HIGH 0.1143 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in thymus_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) butenafine ulcerative_colitis GAP_HIGH 0.1143 0.21052631578947367 naftifine High-priority: Binding assay butenafine→?; validate in ulcerative_colitis cell model. Expected: similar to naftifine (Jaccard=0.21) atropine membranous_glomerulonephritis GAP_HIGH 0.1143 0.2 acetophenazine High-priority: Binding assay atropine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to acetophenazine (Jaccard=0.20) pimozide vascular_cancer GAP_HIGH 0.1143 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in vascular_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.20) anisotropine_methylbromide polycystic_ovary_syndrome GAP_HIGH 0.1143 0.16666666666666666 nalbuphine High-priority: Binding assay anisotropine_methylbromide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to nalbuphine (Jaccard=0.17) anisotropine_methylbromide type_2_diabetes_mellitus GAP_HIGH 0.1143 0.16666666666666666 nalbuphine High-priority: Binding assay anisotropine_methylbromide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to nalbuphine (Jaccard=0.17) chlorphenesin thymus_cancer GAP_HIGH 0.1143 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in thymus_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) ospemifene psoriasis GAP_HIGH 0.1143 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in psoriasis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene ulcerative_colitis GAP_HIGH 0.1143 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in ulcerative_colitis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) phenindione celiac_disease GAP_HIGH 0.1143 0.16129032258064516 chlorcyclizine High-priority: Binding assay phenindione→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.16) fluspirilene gout GAP_HIGH 0.1143 0.15384615384615385 pirenzepine High-priority: Binding assay fluspirilene→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.15) calcipotriol attention_deficit_hyperactivity_disorder GAP_LOW 0.1143 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs attention_deficit_hyperactivity_disorder targets. Cross-check calcipotriol pharmacophore against attention_deficit_hyperactivity_disorder pathway. naloxone epilepsy_syndrome GAP_LOW 0.1143 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs epilepsy_syndrome targets. Cross-check naloxone pharmacophore against epilepsy_syndrome pathway. fenbufen sclerosing_cholangitis GAP_LOW 0.1143 0.11538461538461539 pseudoephedrine Low-priority: Computational docking fenbufen vs sclerosing_cholangitis targets. Cross-check fenbufen pharmacophore against sclerosing_cholangitis pathway. cinchocaine type_1_diabetes_mellitus GAP_LOW 0.1143 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs type_1_diabetes_mellitus targets. Cross-check cinchocaine pharmacophore against type_1_diabetes_mellitus pathway. ceruletide rheumatoid_arthritis GAP_LOW 0.1143 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs rheumatoid_arthritis targets. Cross-check ceruletide pharmacophore against rheumatoid_arthritis pathway. ritodrine gilles_de_la_tourette_syndrome GAP_LOW 0.1143 0.1 tolterodine Low-priority: Computational docking ritodrine vs gilles_de_la_tourette_syndrome targets. Cross-check ritodrine pharmacophore against gilles_de_la_tourette_syndrome pathway. tolbutamide ankylosing_spondylitis GAP_LOW 0.1143 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs ankylosing_spondylitis targets. Cross-check tolbutamide pharmacophore against ankylosing_spondylitis pathway. ephedrine type_1_diabetes_mellitus GAP_LOW 0.1143 0.08333333333333333 fludrocortisone Low-priority: Computational docking ephedrine vs type_1_diabetes_mellitus targets. Cross-check ephedrine pharmacophore against type_1_diabetes_mellitus pathway. felypressin osteoarthritis GAP_LOW 0.1143 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs osteoarthritis targets. Cross-check felypressin pharmacophore against osteoarthritis pathway. terlipressin osteoarthritis GAP_LOW 0.1143 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs osteoarthritis targets. Cross-check terlipressin pharmacophore against osteoarthritis pathway. dyphylline celiac_disease GAP_LOW 0.1143 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs celiac_disease targets. Cross-check dyphylline pharmacophore against celiac_disease pathway. midodrine kidney_cancer GAP_LOW 0.1143 0.0625 spironolactone Low-priority: Computational docking midodrine vs kidney_cancer targets. Cross-check midodrine pharmacophore against kidney_cancer pathway. aminocaproic_acid meningioma GAP_LOW 0.1143 0.05405405405405406 fentanyl Low-priority: Computational docking aminocaproic_acid vs meningioma targets. Cross-check aminocaproic_acid pharmacophore against meningioma pathway. benazepril chronic_kidney_failure GAP_LOW 0.1143 0.0 cinolazepam Low-priority: Computational docking benazepril vs chronic_kidney_failure targets. Cross-check benazepril pharmacophore against chronic_kidney_failure pathway. candesartan chronic_kidney_failure GAP_LOW 0.1143 0.0 cinolazepam Low-priority: Computational docking candesartan vs chronic_kidney_failure targets. Cross-check candesartan pharmacophore against chronic_kidney_failure pathway. mannitol celiac_disease GAP_LOW 0.1143 0.0 hydrocortisone Low-priority: Computational docking mannitol vs celiac_disease targets. Cross-check mannitol pharmacophore against celiac_disease pathway. mannitol chronic_kidney_failure GAP_LOW 0.1143 0.0 cinolazepam Low-priority: Computational docking mannitol vs chronic_kidney_failure targets. Cross-check mannitol pharmacophore against chronic_kidney_failure pathway. pravastatin chronic_kidney_failure GAP_LOW 0.1143 0.0 cinolazepam Low-priority: Computational docking pravastatin vs chronic_kidney_failure targets. Cross-check pravastatin pharmacophore against chronic_kidney_failure pathway. thiamylal salivary_gland_cancer GAP_LOW 0.1143 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs salivary_gland_cancer targets. Cross-check thiamylal pharmacophore against salivary_gland_cancer pathway. amitriptyline lung_cancer GAP_HIGH 0.1142 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in lung_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) alimemazine hematologic_cancer GAP_HIGH 0.1142 0.3076923076923077 carbinoxamine High-priority: Binding assay alimemazine→?; validate in hematologic_cancer cell model. Expected: similar to carbinoxamine (Jaccard=0.31) loxapine mediastinal_cancer GAP_HIGH 0.1142 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) propiomazine vascular_cancer GAP_HIGH 0.1142 0.2857142857142857 bepridil High-priority: Binding assay propiomazine→?; validate in vascular_cancer cell model. Expected: similar to bepridil (Jaccard=0.29) methotrexate multiple_sclerosis GAP_HIGH 0.1142 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in multiple_sclerosis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) methotrexate psoriasis GAP_HIGH 0.1142 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in psoriasis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) procaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1142 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine autistic_disorder GAP_HIGH 0.1142 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in autistic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine nicotine_dependence GAP_HIGH 0.1142 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in nicotine_dependence cell model. Expected: similar to tranylcypromine (Jaccard=0.25) adenosine_triphosphate systemic_lupus_erythematosus GAP_HIGH 0.1142 0.23076923076923078 ribavirin High-priority: Binding assay adenosine_triphosphate→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to ribavirin (Jaccard=0.23) s-adenosylmethionine stomach_cancer GAP_HIGH 0.1142 0.22641509433962265 clofarabine High-priority: Binding assay s-adenosylmethionine→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.23) ketorolac vaginal_cancer GAP_HIGH 0.1142 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in vaginal_cancer cell model. Expected: similar to alvimopan (Jaccard=0.22) ketorolac vulva_cancer GAP_HIGH 0.1142 0.2222222222222222 alvimopan High-priority: Binding assay ketorolac→?; validate in vulva_cancer cell model. Expected: similar to alvimopan (Jaccard=0.22) testosterone restless_legs_syndrome GAP_HIGH 0.1142 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in restless_legs_syndrome cell model. Expected: similar to drospirenone (Jaccard=0.22) glucosamine head_and_neck_cancer GAP_HIGH 0.1142 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) glucosamine malignant_glioma GAP_HIGH 0.1142 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.17) ethylmorphine rectum_cancer GAP_HIGH 0.1142 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) flurazepam obesity GAP_HIGH 0.1142 0.16666666666666666 chlordiazepoxide High-priority: Binding assay flurazepam→?; validate in obesity cell model. Expected: similar to chlordiazepoxide (Jaccard=0.17) ospemifene multiple_sclerosis GAP_HIGH 0.1142 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in multiple_sclerosis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene osteoporosis GAP_HIGH 0.1142 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in osteoporosis cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene ovarian_cancer GAP_HIGH 0.1142 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in ovarian_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene sarcoma GAP_HIGH 0.1142 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in sarcoma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) ospemifene uterine_cancer GAP_HIGH 0.1142 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in uterine_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) salicylic_acid acquired_immunodeficiency_syndrome GAP_HIGH 0.1142 0.16666666666666666 mitiglinide High-priority: Binding assay salicylic_acid→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.17) conjugated_estrogens creutzfeldt-jakob_disease GAP_LOW 0.1142 0.14285714285714285 raloxifene Low-priority: Computational docking conjugated_estrogens vs creutzfeldt-jakob_disease targets. Cross-check conjugated_estrogens pharmacophore against creutzfeldt-jakob_disease pathway. telmisartan hematologic_cancer GAP_LOW 0.1142 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs hematologic_cancer targets. Cross-check telmisartan pharmacophore against hematologic_cancer pathway. telmisartan narcolepsy GAP_LOW 0.1142 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs narcolepsy targets. Cross-check telmisartan pharmacophore against narcolepsy pathway. fosphenytoin alcohol_dependence GAP_LOW 0.1142 0.13333333333333333 mazindol Low-priority: Computational docking fosphenytoin vs alcohol_dependence targets. Cross-check fosphenytoin pharmacophore against alcohol_dependence pathway. calcitriol ocular_cancer GAP_LOW 0.1142 0.125 loteprednol Low-priority: Computational docking calcitriol vs ocular_cancer targets. Cross-check calcitriol pharmacophore against ocular_cancer pathway. ziprasidone head_and_neck_cancer GAP_LOW 0.1142 0.125 alendronate Low-priority: Computational docking ziprasidone vs head_and_neck_cancer targets. Cross-check ziprasidone pharmacophore against head_and_neck_cancer pathway. ziprasidone malignant_glioma GAP_LOW 0.1142 0.125 alendronate Low-priority: Computational docking ziprasidone vs malignant_glioma targets. Cross-check ziprasidone pharmacophore against malignant_glioma pathway. nilotinib membranous_glomerulonephritis GAP_LOW 0.1142 0.1111111111111111 adefovir_dipivoxil Low-priority: Computational docking nilotinib vs membranous_glomerulonephritis targets. Cross-check nilotinib pharmacophore against membranous_glomerulonephritis pathway. ponatinib chronic_kidney_failure GAP_LOW 0.1142 0.1 acetylsalicylic_acid Low-priority: Computational docking ponatinib vs chronic_kidney_failure targets. Cross-check ponatinib pharmacophore against chronic_kidney_failure pathway. theophylline epilepsy_syndrome GAP_LOW 0.1142 0.1 nitrazepam Low-priority: Computational docking theophylline vs epilepsy_syndrome targets. Cross-check theophylline pharmacophore against epilepsy_syndrome pathway. felypressin vulva_cancer GAP_LOW 0.1142 0.08333333333333333 deferasirox Low-priority: Computational docking felypressin vs vulva_cancer targets. Cross-check felypressin pharmacophore against vulva_cancer pathway. terlipressin vaginal_cancer GAP_LOW 0.1142 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs vaginal_cancer targets. Cross-check terlipressin pharmacophore against vaginal_cancer pathway. terlipressin vulva_cancer GAP_LOW 0.1142 0.08333333333333333 ceruletide Low-priority: Computational docking terlipressin vs vulva_cancer targets. Cross-check terlipressin pharmacophore against vulva_cancer pathway. tolbutamide germ_cell_cancer GAP_LOW 0.1142 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs germ_cell_cancer targets. Cross-check tolbutamide pharmacophore against germ_cell_cancer pathway. vapreotide amyotrophic_lateral_sclerosis GAP_LOW 0.1142 0.08333333333333333 zolpidem Low-priority: Computational docking vapreotide vs amyotrophic_lateral_sclerosis targets. Cross-check vapreotide pharmacophore against amyotrophic_lateral_sclerosis pathway. hydrochlorothiazide gilles_de_la_tourette_syndrome GAP_LOW 0.1142 0.07692307692307693 mazindol Low-priority: Computational docking hydrochlorothiazide vs gilles_de_la_tourette_syndrome targets. Cross-check hydrochlorothiazide pharmacophore against gilles_de_la_tourette_syndrome pathway. tolbutamide chronic_kidney_failure GAP_LOW 0.1142 0.07692307692307693 floctafenine Low-priority: Computational docking tolbutamide vs chronic_kidney_failure targets. Cross-check tolbutamide pharmacophore against chronic_kidney_failure pathway. treprostinil liver_cancer GAP_LOW 0.1142 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs liver_cancer targets. Cross-check treprostinil pharmacophore against liver_cancer pathway. gliclazide focal_segmental_glomerulosclerosis GAP_LOW 0.1142 0.06666666666666667 indapamide Low-priority: Computational docking gliclazide vs focal_segmental_glomerulosclerosis targets. Cross-check gliclazide pharmacophore against focal_segmental_glomerulosclerosis pathway. latanoprost chronic_kidney_failure GAP_LOW 0.1142 0.0625 floctafenine Low-priority: Computational docking latanoprost vs chronic_kidney_failure targets. Cross-check latanoprost pharmacophore against chronic_kidney_failure pathway. midodrine nephrolithiasis GAP_LOW 0.1142 0.0625 spironolactone Low-priority: Computational docking midodrine vs nephrolithiasis targets. Cross-check midodrine pharmacophore against nephrolithiasis pathway. selegiline alcohol_dependence GAP_LOW 0.1142 0.0625 ethylmorphine Low-priority: Computational docking selegiline vs alcohol_dependence targets. Cross-check selegiline pharmacophore against alcohol_dependence pathway. streptozocin sclerosing_cholangitis GAP_LOW 0.1142 0.0625 salsalate Low-priority: Computational docking streptozocin vs sclerosing_cholangitis targets. Cross-check streptozocin pharmacophore against sclerosing_cholangitis pathway. vapreotide head_and_neck_cancer GAP_LOW 0.1142 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs head_and_neck_cancer targets. Cross-check vapreotide pharmacophore against head_and_neck_cancer pathway. vapreotide malignant_glioma GAP_LOW 0.1142 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs malignant_glioma targets. Cross-check vapreotide pharmacophore against malignant_glioma pathway. midodrine gilles_de_la_tourette_syndrome GAP_LOW 0.1142 0.05555555555555555 diphemanil_methylsulfate Low-priority: Computational docking midodrine vs gilles_de_la_tourette_syndrome targets. Cross-check midodrine pharmacophore against gilles_de_la_tourette_syndrome pathway. l-cysteine refractive_error GAP_LOW 0.1142 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-cysteine vs refractive_error targets. Cross-check l-cysteine pharmacophore against refractive_error pathway. loxapine thymus_cancer GAP_HIGH 0.1141 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) azelastine mediastinal_cancer GAP_HIGH 0.1141 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) spironolactone esophageal_cancer GAP_HIGH 0.1141 0.2631578947368421 fluoxymesterone High-priority: Binding assay spironolactone→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.26) docetaxel psoriatic_arthritis GAP_HIGH 0.1141 0.25 carvedilol High-priority: Binding assay docetaxel→?; validate in psoriatic_arthritis cell model. Expected: similar to carvedilol (Jaccard=0.25) bevantolol hematologic_cancer GAP_HIGH 0.1141 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in hematologic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) methamphetamine colon_cancer GAP_HIGH 0.1141 0.24 phenacemide High-priority: Binding assay methamphetamine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.24) methamphetamine stomach_cancer GAP_HIGH 0.1141 0.24 phenacemide High-priority: Binding assay methamphetamine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.24) testosterone type_2_diabetes_mellitus GAP_HIGH 0.1141 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to drospirenone (Jaccard=0.22) pimozide systemic_scleroderma GAP_HIGH 0.1141 0.2 amlodipine High-priority: Binding assay pimozide→?; validate in systemic_scleroderma cell model. Expected: similar to amlodipine (Jaccard=0.20) prednisone alcohol_dependence GAP_HIGH 0.1141 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) anisotropine_methylbromide rheumatoid_arthritis GAP_HIGH 0.1141 0.16666666666666666 heroin High-priority: Binding assay anisotropine_methylbromide→?; validate in rheumatoid_arthritis cell model. Expected: similar to heroin (Jaccard=0.17) danazol narcolepsy GAP_HIGH 0.1141 0.16666666666666666 l-arginine High-priority: Binding assay danazol→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.17) ethylmorphine liver_cancer GAP_HIGH 0.1141 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) mepenzolate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1141 0.16666666666666666 metaraminol High-priority: Binding assay mepenzolate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to metaraminol (Jaccard=0.17) calcipotriol panic_disorder GAP_LOW 0.1141 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs panic_disorder targets. Cross-check calcipotriol pharmacophore against panic_disorder pathway. calcipotriol schizophrenia GAP_LOW 0.1141 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs schizophrenia targets. Cross-check calcipotriol pharmacophore against schizophrenia pathway. chlorthalidone meningioma GAP_LOW 0.1141 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs meningioma targets. Cross-check chlorthalidone pharmacophore against meningioma pathway. benzocaine epilepsy_syndrome GAP_LOW 0.1141 0.125 doxapram Low-priority: Computational docking benzocaine vs epilepsy_syndrome targets. Cross-check benzocaine pharmacophore against epilepsy_syndrome pathway. calcitriol alzheimers_disease GAP_LOW 0.1141 0.125 pimozide Low-priority: Computational docking calcitriol vs alzheimers_disease targets. Cross-check calcitriol pharmacophore against alzheimers_disease pathway. calcitriol parkinsons_disease GAP_LOW 0.1141 0.125 zolpidem Low-priority: Computational docking calcitriol vs parkinsons_disease targets. Cross-check calcitriol pharmacophore against parkinsons_disease pathway. chlorpropamide salivary_gland_cancer GAP_LOW 0.1141 0.125 chlorphenesin Low-priority: Computational docking chlorpropamide vs salivary_gland_cancer targets. Cross-check chlorpropamide pharmacophore against salivary_gland_cancer pathway. imatinib kidney_cancer GAP_LOW 0.1141 0.125 procainamide Low-priority: Computational docking imatinib vs kidney_cancer targets. Cross-check imatinib pharmacophore against kidney_cancer pathway. ziprasidone kidney_cancer GAP_LOW 0.1141 0.125 alendronate Low-priority: Computational docking ziprasidone vs kidney_cancer targets. Cross-check ziprasidone pharmacophore against kidney_cancer pathway. alitretinoin esophageal_cancer GAP_LOW 0.1141 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs esophageal_cancer targets. Cross-check alitretinoin pharmacophore against esophageal_cancer pathway. pemetrexed alopecia_areata GAP_LOW 0.1141 0.1111111111111111 dexamethasone Low-priority: Computational docking pemetrexed vs alopecia_areata targets. Cross-check pemetrexed pharmacophore against alopecia_areata pathway. ceruletide psoriatic_arthritis GAP_LOW 0.1141 0.1 cortisone_acetate Low-priority: Computational docking ceruletide vs psoriatic_arthritis targets. Cross-check ceruletide pharmacophore against psoriatic_arthritis pathway. tolbutamide chronic_obstructive_pulmonary_disease GAP_LOW 0.1141 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs chronic_obstructive_pulmonary_disease targets. Cross-check tolbutamide pharmacophore against chronic_obstructive_pulmonary_disease pathway. phenoxybenzamine bone_cancer GAP_LOW 0.1141 0.09090909090909091 histamine_phosphate Low-priority: Computational docking phenoxybenzamine vs bone_cancer targets. Cross-check phenoxybenzamine pharmacophore against bone_cancer pathway. vapreotide urinary_bladder_cancer GAP_LOW 0.1141 0.08333333333333333 ceruletide Low-priority: Computational docking vapreotide vs urinary_bladder_cancer targets. Cross-check vapreotide pharmacophore against urinary_bladder_cancer pathway. treprostinil duodenum_cancer GAP_LOW 0.1141 0.07142857142857142 l-dopa Low-priority: Computational docking treprostinil vs duodenum_cancer targets. Cross-check treprostinil pharmacophore against duodenum_cancer pathway. treprostinil gallbladder_cancer GAP_LOW 0.1141 0.07142857142857142 l-dopa Low-priority: Computational docking treprostinil vs gallbladder_cancer targets. Cross-check treprostinil pharmacophore against gallbladder_cancer pathway. halazepam kidney_cancer GAP_LOW 0.1141 0.06666666666666667 levorphanol Low-priority: Computational docking halazepam vs kidney_cancer targets. Cross-check halazepam pharmacophore against kidney_cancer pathway. vapreotide kidney_cancer GAP_LOW 0.1141 0.058823529411764705 sulfamethizole Low-priority: Computational docking vapreotide vs kidney_cancer targets. Cross-check vapreotide pharmacophore against kidney_cancer pathway. nabumetone type_1_diabetes_mellitus GAP_LOW 0.1141 0.05555555555555555 exemestane Low-priority: Computational docking nabumetone vs type_1_diabetes_mellitus targets. Cross-check nabumetone pharmacophore against type_1_diabetes_mellitus pathway. l-aspartic_acid duodenum_cancer GAP_LOW 0.1141 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs duodenum_cancer targets. Cross-check l-aspartic_acid pharmacophore against duodenum_cancer pathway. l-aspartic_acid gallbladder_cancer GAP_LOW 0.1141 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs gallbladder_cancer targets. Cross-check l-aspartic_acid pharmacophore against gallbladder_cancer pathway. l-aspartic_acid melanoma GAP_LOW 0.1141 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs melanoma targets. Cross-check l-aspartic_acid pharmacophore against melanoma pathway. atomoxetine pagets_disease_of_bone GAP_LOW 0.1141 0.0 ibandronate Low-priority: Computational docking atomoxetine vs pagets_disease_of_bone targets. Cross-check atomoxetine pharmacophore against pagets_disease_of_bone pathway. calcium_acetate hepatitis_b GAP_LOW 0.1141 0.0 mitiglinide Low-priority: Computational docking calcium_acetate vs hepatitis_b targets. Cross-check calcium_acetate pharmacophore against hepatitis_b pathway. cyclizine pagets_disease_of_bone GAP_LOW 0.1141 0.0 ibandronate Low-priority: Computational docking cyclizine vs pagets_disease_of_bone targets. Cross-check cyclizine pharmacophore against pagets_disease_of_bone pathway. indecainide pagets_disease_of_bone GAP_LOW 0.1141 0.0 ibandronate Low-priority: Computational docking indecainide vs pagets_disease_of_bone targets. Cross-check indecainide pharmacophore against pagets_disease_of_bone pathway. lercanidipine hepatitis_b GAP_LOW 0.1141 0.0 mitiglinide Low-priority: Computational docking lercanidipine vs hepatitis_b targets. Cross-check lercanidipine pharmacophore against hepatitis_b pathway. loxapine pagets_disease_of_bone GAP_LOW 0.1141 0.0 ibandronate Low-priority: Computational docking loxapine vs pagets_disease_of_bone targets. Cross-check loxapine pharmacophore against pagets_disease_of_bone pathway. procarbazine pagets_disease_of_bone GAP_LOW 0.1141 0.0 ibandronate Low-priority: Computational docking procarbazine vs pagets_disease_of_bone targets. Cross-check procarbazine pharmacophore against pagets_disease_of_bone pathway. thiamylal rectum_cancer GAP_LOW 0.1141 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs rectum_cancer targets. Cross-check thiamylal pharmacophore against rectum_cancer pathway. flurbiprofen salivary_gland_cancer GAP_HIGH 0.114 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) carbinoxamine rectum_cancer GAP_HIGH 0.114 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in rectum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) azelastine thymus_cancer GAP_HIGH 0.114 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) procaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.114 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.25) testosterone vitiligo GAP_HIGH 0.114 0.2222222222222222 drospirenone High-priority: Binding assay testosterone→?; validate in vitiligo cell model. Expected: similar to drospirenone (Jaccard=0.22) loteprednol coronary_artery_disease GAP_HIGH 0.114 0.21428571428571427 amcinonide High-priority: Binding assay loteprednol→?; validate in coronary_artery_disease cell model. Expected: similar to amcinonide (Jaccard=0.21) glucosamine narcolepsy GAP_HIGH 0.114 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.20) ketoprofen glaucoma GAP_HIGH 0.114 0.2 penbutolol High-priority: Binding assay ketoprofen→?; validate in glaucoma cell model. Expected: similar to penbutolol (Jaccard=0.20) pimozide uterine_fibroid GAP_HIGH 0.114 0.2 diclofenamide High-priority: Binding assay pimozide→?; validate in uterine_fibroid cell model. Expected: similar to diclofenamide (Jaccard=0.20) sulfamethizole metabolic_syndrome_x GAP_HIGH 0.114 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in metabolic_syndrome_x cell model. Expected: similar to polythiazide (Jaccard=0.19) olanzapine ankylosing_spondylitis GAP_HIGH 0.114 0.18181818181818182 oxazepam High-priority: Binding assay olanzapine→?; validate in ankylosing_spondylitis cell model. Expected: similar to oxazepam (Jaccard=0.18) imipramine penile_cancer GAP_HIGH 0.114 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) ospemifene systemic_lupus_erythematosus GAP_HIGH 0.114 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) imatinib duodenum_cancer GAP_HIGH 0.114 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in duodenum_cancer cell model. Expected: similar to gefitinib (Jaccard=0.16) imatinib gallbladder_cancer GAP_HIGH 0.114 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in gallbladder_cancer cell model. Expected: similar to gefitinib (Jaccard=0.16) deferasirox atopic_dermatitis GAP_HIGH 0.114 0.15384615384615385 zafirlukast High-priority: Binding assay deferasirox→?; validate in atopic_dermatitis cell model. Expected: similar to zafirlukast (Jaccard=0.15) calcipotriol asthma GAP_LOW 0.114 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs asthma targets. Cross-check calcipotriol pharmacophore against asthma pathway. calcipotriol atopic_dermatitis GAP_LOW 0.114 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs atopic_dermatitis targets. Cross-check calcipotriol pharmacophore against atopic_dermatitis pathway. calcipotriol breast_cancer GAP_LOW 0.114 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs breast_cancer targets. Cross-check calcipotriol pharmacophore against breast_cancer pathway. calcipotriol colon_cancer GAP_LOW 0.114 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs colon_cancer targets. Cross-check calcipotriol pharmacophore against colon_cancer pathway. calcipotriol conduct_disorder GAP_LOW 0.114 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs conduct_disorder targets. Cross-check calcipotriol pharmacophore against conduct_disorder pathway. hydromorphone gout GAP_LOW 0.114 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs gout targets. Cross-check hydromorphone pharmacophore against gout pathway. calcitriol amyotrophic_lateral_sclerosis GAP_LOW 0.114 0.125 zolpidem Low-priority: Computational docking calcitriol vs amyotrophic_lateral_sclerosis targets. Cross-check calcitriol pharmacophore against amyotrophic_lateral_sclerosis pathway. calcitriol autistic_disorder GAP_LOW 0.114 0.125 pimozide Low-priority: Computational docking calcitriol vs autistic_disorder targets. Cross-check calcitriol pharmacophore against autistic_disorder pathway. calcitriol nicotine_dependence GAP_LOW 0.114 0.125 pimozide Low-priority: Computational docking calcitriol vs nicotine_dependence targets. Cross-check calcitriol pharmacophore against nicotine_dependence pathway. dihydrotachysterol sclerosing_cholangitis GAP_LOW 0.114 0.125 ursodeoxycholic_acid Low-priority: Computational docking dihydrotachysterol vs sclerosing_cholangitis targets. Cross-check dihydrotachysterol pharmacophore against sclerosing_cholangitis pathway. ziprasidone nephrolithiasis GAP_LOW 0.114 0.125 alendronate Low-priority: Computational docking ziprasidone vs nephrolithiasis targets. Cross-check ziprasidone pharmacophore against nephrolithiasis pathway. gliclazide epilepsy_syndrome GAP_LOW 0.114 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs epilepsy_syndrome targets. Cross-check gliclazide pharmacophore against epilepsy_syndrome pathway. melatonin meningioma GAP_LOW 0.114 0.1 dexamethasone Low-priority: Computational docking melatonin vs meningioma targets. Cross-check melatonin pharmacophore against meningioma pathway. prazepam sarcoma GAP_LOW 0.114 0.09523809523809523 phenylbutazone Low-priority: Computational docking prazepam vs sarcoma targets. Cross-check prazepam pharmacophore against sarcoma pathway. ziprasidone malaria GAP_LOW 0.114 0.09090909090909091 sulfamethizole Low-priority: Computational docking ziprasidone vs malaria targets. Cross-check ziprasidone pharmacophore against malaria pathway. bethanidine leprosy GAP_LOW 0.114 0.07692307692307693 sulfamethizole Low-priority: Computational docking bethanidine vs leprosy targets. Cross-check bethanidine pharmacophore against leprosy pathway. treprostinil urinary_bladder_cancer GAP_LOW 0.114 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs urinary_bladder_cancer targets. Cross-check treprostinil pharmacophore against urinary_bladder_cancer pathway. zolpidem esophageal_cancer GAP_LOW 0.114 0.07692307692307693 melphalan Low-priority: Computational docking zolpidem vs esophageal_cancer targets. Cross-check zolpidem pharmacophore against esophageal_cancer pathway. latanoprost meningioma GAP_LOW 0.114 0.07142857142857142 prednicarbate Low-priority: Computational docking latanoprost vs meningioma targets. Cross-check latanoprost pharmacophore against meningioma pathway. l-aspartic_acid ankylosing_spondylitis GAP_LOW 0.114 0.05555555555555555 anisotropine_methylbromide Low-priority: Computational docking l-aspartic_acid vs ankylosing_spondylitis targets. Cross-check l-aspartic_acid pharmacophore against ankylosing_spondylitis pathway. midodrine esophageal_cancer GAP_LOW 0.114 0.05263157894736842 exemestane Low-priority: Computational docking midodrine vs esophageal_cancer targets. Cross-check midodrine pharmacophore against esophageal_cancer pathway. loratadine focal_segmental_glomerulosclerosis GAP_LOW 0.114 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs focal_segmental_glomerulosclerosis targets. Cross-check loratadine pharmacophore against focal_segmental_glomerulosclerosis pathway. amlodipine esophageal_cancer GAP_LOW 0.114 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs esophageal_cancer targets. Cross-check amlodipine pharmacophore against esophageal_cancer pathway. amodiaquine esophageal_cancer GAP_LOW 0.114 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs esophageal_cancer targets. Cross-check amodiaquine pharmacophore against esophageal_cancer pathway. conivaptan esophageal_cancer GAP_LOW 0.114 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs esophageal_cancer targets. Cross-check conivaptan pharmacophore against esophageal_cancer pathway. thiamylal ocular_cancer GAP_LOW 0.114 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs ocular_cancer targets. Cross-check thiamylal pharmacophore against ocular_cancer pathway. amitriptyline urinary_bladder_cancer GAP_HIGH 0.1139 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in urinary_bladder_cancer cell model. Expected: similar to reboxetine (Jaccard=0.33) loperamide membranous_glomerulonephritis GAP_HIGH 0.1139 0.3333333333333333 promazine High-priority: Binding assay loperamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promazine (Jaccard=0.33) brompheniramine focal_segmental_glomerulosclerosis GAP_HIGH 0.1139 0.2222222222222222 promethazine High-priority: Binding assay brompheniramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.22) danazol conduct_disorder GAP_HIGH 0.1139 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.18) danazol panic_disorder GAP_HIGH 0.1139 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.18) danazol schizophrenia GAP_HIGH 0.1139 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.18) fulvestrant type_1_diabetes_mellitus GAP_HIGH 0.1139 0.17647058823529413 betamethasone High-priority: Binding assay fulvestrant→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.18) bepotastine ankylosing_spondylitis GAP_HIGH 0.1139 0.16666666666666666 perphenazine High-priority: Binding assay bepotastine→?; validate in ankylosing_spondylitis cell model. Expected: similar to perphenazine (Jaccard=0.17) ethylmorphine peripheral_nervous_system_neoplasm GAP_HIGH 0.1139 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.17) calcipotriol allergic_rhinitis GAP_LOW 0.1139 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs allergic_rhinitis targets. Cross-check calcipotriol pharmacophore against allergic_rhinitis pathway. calcipotriol bipolar_disorder GAP_LOW 0.1139 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs bipolar_disorder targets. Cross-check calcipotriol pharmacophore against bipolar_disorder pathway. l-phenylalanine glaucoma GAP_LOW 0.1139 0.14285714285714285 phenylpropanolamine Low-priority: Computational docking l-phenylalanine vs glaucoma targets. Cross-check l-phenylalanine pharmacophore against glaucoma pathway. suprofen acquired_immunodeficiency_syndrome GAP_LOW 0.1139 0.14285714285714285 alvimopan Low-priority: Computational docking suprofen vs acquired_immunodeficiency_syndrome targets. Cross-check suprofen pharmacophore against acquired_immunodeficiency_syndrome pathway. tolazoline lung_cancer GAP_LOW 0.1139 0.14285714285714285 l-dopa Low-priority: Computational docking tolazoline vs lung_cancer targets. Cross-check tolazoline pharmacophore against lung_cancer pathway. tolazoline rectum_cancer GAP_LOW 0.1139 0.14285714285714285 l-dopa Low-priority: Computational docking tolazoline vs rectum_cancer targets. Cross-check tolazoline pharmacophore against rectum_cancer pathway. tretinoin pancreatitis GAP_LOW 0.1139 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs pancreatitis targets. Cross-check tretinoin pharmacophore against pancreatitis pathway. adenine larynx_cancer GAP_LOW 0.1139 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs larynx_cancer targets. Cross-check adenine pharmacophore against larynx_cancer pathway. practolol membranous_glomerulonephritis GAP_LOW 0.1139 0.13333333333333333 chlorthalidone Low-priority: Computational docking practolol vs membranous_glomerulonephritis targets. Cross-check practolol pharmacophore against membranous_glomerulonephritis pathway. naloxone narcolepsy GAP_LOW 0.1139 0.13043478260869565 pseudoephedrine Low-priority: Computational docking naloxone vs narcolepsy targets. Cross-check naloxone pharmacophore against narcolepsy pathway. calcitriol peripheral_nervous_system_neoplasm GAP_LOW 0.1139 0.125 loteprednol Low-priority: Computational docking calcitriol vs peripheral_nervous_system_neoplasm targets. Cross-check calcitriol pharmacophore against peripheral_nervous_system_neoplasm pathway. vitamin_a polycystic_ovary_syndrome GAP_LOW 0.1139 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs polycystic_ovary_syndrome targets. Cross-check vitamin_a pharmacophore against polycystic_ovary_syndrome pathway. vitamin_a type_2_diabetes_mellitus GAP_LOW 0.1139 0.125 paclitaxel Low-priority: Computational docking vitamin_a vs type_2_diabetes_mellitus targets. Cross-check vitamin_a pharmacophore against type_2_diabetes_mellitus pathway. ponatinib idiopathic_pulmonary_fibrosis GAP_LOW 0.1139 0.11904761904761904 bethanidine Low-priority: Computational docking ponatinib vs idiopathic_pulmonary_fibrosis targets. Cross-check ponatinib pharmacophore against idiopathic_pulmonary_fibrosis pathway. zolpidem salivary_gland_cancer GAP_LOW 0.1139 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs salivary_gland_cancer targets. Cross-check zolpidem pharmacophore against salivary_gland_cancer pathway. ergocalciferol celiac_disease GAP_LOW 0.1139 0.1 salicylate-sodium Low-priority: Computational docking ergocalciferol vs celiac_disease targets. Cross-check ergocalciferol pharmacophore against celiac_disease pathway. naloxone brain_cancer GAP_LOW 0.1139 0.1 methotrexate Low-priority: Computational docking naloxone vs brain_cancer targets. Cross-check naloxone pharmacophore against brain_cancer pathway. clotiazepam celiac_disease GAP_LOW 0.1139 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking clotiazepam vs celiac_disease targets. Cross-check clotiazepam pharmacophore against celiac_disease pathway. felypressin systemic_scleroderma GAP_LOW 0.1139 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs systemic_scleroderma targets. Cross-check felypressin pharmacophore against systemic_scleroderma pathway. midodrine sclerosing_cholangitis GAP_LOW 0.1139 0.08333333333333333 hydromorphone Low-priority: Computational docking midodrine vs sclerosing_cholangitis targets. Cross-check midodrine pharmacophore against sclerosing_cholangitis pathway. terlipressin systemic_scleroderma GAP_LOW 0.1139 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs systemic_scleroderma targets. Cross-check terlipressin pharmacophore against systemic_scleroderma pathway. levonordefrin leprosy GAP_LOW 0.1139 0.07692307692307693 lenalidomide Low-priority: Computational docking levonordefrin vs leprosy targets. Cross-check levonordefrin pharmacophore against leprosy pathway. terlipressin crohns_disease GAP_LOW 0.1139 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs crohns_disease targets. Cross-check terlipressin pharmacophore against crohns_disease pathway. treprostinil prostate_cancer GAP_LOW 0.1139 0.06666666666666667 ifenprodil Low-priority: Computational docking treprostinil vs prostate_cancer targets. Cross-check treprostinil pharmacophore against prostate_cancer pathway. dyphylline atherosclerosis GAP_LOW 0.1139 0.03225806451612903 phenacemide Low-priority: Computational docking dyphylline vs atherosclerosis targets. Cross-check dyphylline pharmacophore against atherosclerosis pathway. l-cysteine alopecia_areata GAP_LOW 0.1139 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs alopecia_areata targets. Cross-check l-cysteine pharmacophore against alopecia_areata pathway. thiamylal liver_cancer GAP_LOW 0.1139 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs liver_cancer targets. Cross-check thiamylal pharmacophore against liver_cancer pathway. pheniramine pharynx_cancer GAP_HIGH 0.1138 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) carbinoxamine liver_cancer GAP_HIGH 0.1138 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in liver_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) pirenzepine urinary_bladder_cancer GAP_HIGH 0.1138 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.30) isoprenaline panic_disorder GAP_HIGH 0.1138 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.29) isoprenaline schizophrenia GAP_HIGH 0.1138 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.29) indecainide pharynx_cancer GAP_HIGH 0.1138 0.25 metipranolol High-priority: Binding assay indecainide→?; validate in pharynx_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) salicylic_acid celiac_disease GAP_HIGH 0.1138 0.23529411764705882 salsalate High-priority: Binding assay salicylic_acid→?; validate in celiac_disease cell model. Expected: similar to salsalate (Jaccard=0.24) docetaxel coronary_artery_disease GAP_HIGH 0.1138 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.22) nitrazepam creutzfeldt-jakob_disease GAP_HIGH 0.1138 0.2 heroin High-priority: Binding assay nitrazepam→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to heroin (Jaccard=0.20) oxybuprocaine gilles_de_la_tourette_syndrome GAP_HIGH 0.1138 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to modafinil (Jaccard=0.17) imipramine malignant_mesothelioma GAP_HIGH 0.1138 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in malignant_mesothelioma cell model. Expected: similar to vincristine (Jaccard=0.17) ospemifene skin_cancer GAP_HIGH 0.1138 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in skin_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) calcipotriol endogenous_depression GAP_LOW 0.1138 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs endogenous_depression targets. Cross-check calcipotriol pharmacophore against endogenous_depression pathway. hydromorphone hematologic_cancer GAP_LOW 0.1138 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs hematologic_cancer targets. Cross-check hydromorphone pharmacophore against hematologic_cancer pathway. calcitriol attention_deficit_hyperactivity_disorder GAP_LOW 0.1138 0.125 pimozide Low-priority: Computational docking calcitriol vs attention_deficit_hyperactivity_disorder targets. Cross-check calcitriol pharmacophore against attention_deficit_hyperactivity_disorder pathway. chlorpropamide ocular_cancer GAP_LOW 0.1138 0.125 chlorphenesin Low-priority: Computational docking chlorpropamide vs ocular_cancer targets. Cross-check chlorpropamide pharmacophore against ocular_cancer pathway. clotiazepam vascular_cancer GAP_LOW 0.1138 0.125 chlorpromazine Low-priority: Computational docking clotiazepam vs vascular_cancer targets. Cross-check clotiazepam pharmacophore against vascular_cancer pathway. melphalan gestational_diabetes GAP_LOW 0.1138 0.11764705882352941 gliquidone Low-priority: Computational docking melphalan vs gestational_diabetes targets. Cross-check melphalan pharmacophore against gestational_diabetes pathway. zolpidem muscle_cancer GAP_LOW 0.1138 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs muscle_cancer targets. Cross-check zolpidem pharmacophore against muscle_cancer pathway. proparacaine type_1_diabetes_mellitus GAP_LOW 0.1138 0.09090909090909091 cyclandelate Low-priority: Computational docking proparacaine vs type_1_diabetes_mellitus targets. Cross-check proparacaine pharmacophore against type_1_diabetes_mellitus pathway. tolbutamide primary_biliary_cirrhosis GAP_LOW 0.1138 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs primary_biliary_cirrhosis targets. Cross-check tolbutamide pharmacophore against primary_biliary_cirrhosis pathway. anisindione malaria GAP_LOW 0.1138 0.07407407407407407 modafinil Low-priority: Computational docking anisindione vs malaria targets. Cross-check anisindione pharmacophore against malaria pathway. desmopressin alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking desmopressin vs alcohol_dependence targets. Cross-check desmopressin pharmacophore against alcohol_dependence pathway. dopamine alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking dopamine vs alcohol_dependence targets. Cross-check dopamine pharmacophore against alcohol_dependence pathway. felypressin alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking felypressin vs alcohol_dependence targets. Cross-check felypressin pharmacophore against alcohol_dependence pathway. indomethacin alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking indomethacin vs alcohol_dependence targets. Cross-check indomethacin pharmacophore against alcohol_dependence pathway. l-arginine malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-arginine vs malaria targets. Cross-check l-arginine pharmacophore against malaria pathway. l-asparagine malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-asparagine vs malaria targets. Cross-check l-asparagine pharmacophore against malaria pathway. l-aspartic_acid malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-aspartic_acid vs malaria targets. Cross-check l-aspartic_acid pharmacophore against malaria pathway. l-citrulline malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-citrulline vs malaria targets. Cross-check l-citrulline pharmacophore against malaria pathway. l-methionine malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-methionine vs malaria targets. Cross-check l-methionine pharmacophore against malaria pathway. l-ornithine malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking l-ornithine vs malaria targets. Cross-check l-ornithine pharmacophore against malaria pathway. linaclotide malaria GAP_LOW 0.1138 0.0 ethotoin Low-priority: Computational docking linaclotide vs malaria targets. Cross-check linaclotide pharmacophore against malaria pathway. norepinephrine alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking norepinephrine vs alcohol_dependence targets. Cross-check norepinephrine pharmacophore against alcohol_dependence pathway. pasireotide alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking pasireotide vs alcohol_dependence targets. Cross-check pasireotide pharmacophore against alcohol_dependence pathway. terlipressin alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking terlipressin vs alcohol_dependence targets. Cross-check terlipressin pharmacophore against alcohol_dependence pathway. treprostinil alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking treprostinil vs alcohol_dependence targets. Cross-check treprostinil pharmacophore against alcohol_dependence pathway. trifluridine alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking trifluridine vs alcohol_dependence targets. Cross-check trifluridine pharmacophore against alcohol_dependence pathway. vapreotide alcohol_dependence GAP_LOW 0.1138 0.0 midazolam Low-priority: Computational docking vapreotide vs alcohol_dependence targets. Cross-check vapreotide pharmacophore against alcohol_dependence pathway. chlorpromazine sclerosing_cholangitis GAP_HIGH 0.1137 0.3448275862068966 chlordiazepoxide High-priority: Binding assay chlorpromazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.34) flurbiprofen ocular_cancer GAP_HIGH 0.1137 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in ocular_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) droxidopa mediastinal_cancer GAP_HIGH 0.1137 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) isoprenaline conduct_disorder GAP_HIGH 0.1137 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.29) l-serine systemic_scleroderma GAP_HIGH 0.1137 0.2786885245901639 penicillamine High-priority: Binding assay l-serine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.28) spironolactone head_and_neck_cancer GAP_HIGH 0.1137 0.2727272727272727 prednicarbate High-priority: Binding assay spironolactone→?; validate in head_and_neck_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.27) flurbiprofen intracranial_aneurysm GAP_HIGH 0.1137 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.26) pargyline colon_cancer GAP_HIGH 0.1137 0.25925925925925924 phenacemide High-priority: Binding assay pargyline→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.26) diazepam mediastinal_cancer GAP_HIGH 0.1137 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) prednisolone creutzfeldt-jakob_disease GAP_HIGH 0.1137 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) procaine asthma GAP_HIGH 0.1137 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in asthma cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine conduct_disorder GAP_HIGH 0.1137 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in conduct_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine panic_disorder GAP_HIGH 0.1137 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in panic_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine schizophrenia GAP_HIGH 0.1137 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in schizophrenia cell model. Expected: similar to tranylcypromine (Jaccard=0.25) propiomazine germ_cell_cancer GAP_HIGH 0.1137 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) phenelzine nephrolithiasis GAP_HIGH 0.1137 0.23809523809523808 polythiazide High-priority: Binding assay phenelzine→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.24) phenelzine refractive_error GAP_HIGH 0.1137 0.23809523809523808 polythiazide High-priority: Binding assay phenelzine→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.24) sulfamethizole obesity GAP_HIGH 0.1137 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in obesity cell model. Expected: similar to polythiazide (Jaccard=0.19) danazol bipolar_disorder GAP_HIGH 0.1137 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.18) dimetindene peripheral_nervous_system_neoplasm GAP_HIGH 0.1137 0.18181818181818182 tamoxifen High-priority: Binding assay dimetindene→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.18) ospemifene vulva_cancer GAP_HIGH 0.1137 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in vulva_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) probenecid membranous_glomerulonephritis GAP_HIGH 0.1137 0.16666666666666666 mitiglinide High-priority: Binding assay probenecid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.17) calcipotriol migraine GAP_LOW 0.1137 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs migraine targets. Cross-check calcipotriol pharmacophore against migraine pathway. calcipotriol ovarian_cancer GAP_LOW 0.1137 0.14285714285714285 pimozide Low-priority: Computational docking calcipotriol vs ovarian_cancer targets. Cross-check calcipotriol pharmacophore against ovarian_cancer pathway. medroxyprogesterone_acetate refractive_error GAP_LOW 0.1137 0.14285714285714285 choline Low-priority: Computational docking medroxyprogesterone_acetate vs refractive_error targets. Cross-check medroxyprogesterone_acetate pharmacophore against refractive_error pathway. sulfamethizole esophageal_cancer GAP_LOW 0.1137 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs esophageal_cancer targets. Cross-check sulfamethizole pharmacophore against esophageal_cancer pathway. ergocalciferol chronic_obstructive_pulmonary_disease GAP_LOW 0.1137 0.125 medroxyprogesterone_acetate Low-priority: Computational docking ergocalciferol vs chronic_obstructive_pulmonary_disease targets. Cross-check ergocalciferol pharmacophore against chronic_obstructive_pulmonary_disease pathway. hydromorphone chronic_kidney_failure GAP_LOW 0.1137 0.125 cinolazepam Low-priority: Computational docking hydromorphone vs chronic_kidney_failure targets. Cross-check hydromorphone pharmacophore against chronic_kidney_failure pathway. tripelennamine malaria GAP_LOW 0.1137 0.125 warfarin Low-priority: Computational docking tripelennamine vs malaria targets. Cross-check tripelennamine pharmacophore against malaria pathway. dienestrol membranous_glomerulonephritis GAP_LOW 0.1137 0.11764705882352941 toremifene Low-priority: Computational docking dienestrol vs membranous_glomerulonephritis targets. Cross-check dienestrol pharmacophore against membranous_glomerulonephritis pathway. methamphetamine bone_cancer GAP_LOW 0.1137 0.1 histamine_phosphate Low-priority: Computational docking methamphetamine vs bone_cancer targets. Cross-check methamphetamine pharmacophore against bone_cancer pathway. regadenoson head_and_neck_cancer GAP_LOW 0.1137 0.1 methotrexate Low-priority: Computational docking regadenoson vs head_and_neck_cancer targets. Cross-check regadenoson pharmacophore against head_and_neck_cancer pathway. regadenoson malignant_glioma GAP_LOW 0.1137 0.1 methotrexate Low-priority: Computational docking regadenoson vs malignant_glioma targets. Cross-check regadenoson pharmacophore against malignant_glioma pathway. flurazepam lymphatic_system_cancer GAP_LOW 0.1137 0.08333333333333333 streptozocin Low-priority: Computational docking flurazepam vs lymphatic_system_cancer targets. Cross-check flurazepam pharmacophore against lymphatic_system_cancer pathway. treprostinil mediastinal_cancer GAP_LOW 0.1137 0.06666666666666667 ifenprodil Low-priority: Computational docking treprostinil vs mediastinal_cancer targets. Cross-check treprostinil pharmacophore against mediastinal_cancer pathway. choline gilles_de_la_tourette_syndrome GAP_LOW 0.1137 0.05 loperamide Low-priority: Computational docking choline vs gilles_de_la_tourette_syndrome targets. Cross-check choline pharmacophore against gilles_de_la_tourette_syndrome pathway. streptozocin penile_cancer GAP_LOW 0.1137 0.047619047619047616 cinchocaine Low-priority: Computational docking streptozocin vs penile_cancer targets. Cross-check streptozocin pharmacophore against penile_cancer pathway. treprostinil focal_segmental_glomerulosclerosis GAP_LOW 0.1137 0.047619047619047616 tamsulosin Low-priority: Computational docking treprostinil vs focal_segmental_glomerulosclerosis targets. Cross-check treprostinil pharmacophore against focal_segmental_glomerulosclerosis pathway. latanoprost lymphatic_system_cancer GAP_LOW 0.1137 0.03508771929824561 s-adenosylmethionine Low-priority: Computational docking latanoprost vs lymphatic_system_cancer targets. Cross-check latanoprost pharmacophore against lymphatic_system_cancer pathway. acetophenazine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking acetophenazine vs pagets_disease_of_bone targets. Cross-check acetophenazine pharmacophore against pagets_disease_of_bone pathway. alitretinoin leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking alitretinoin vs leprosy targets. Cross-check alitretinoin pharmacophore against leprosy pathway. alvimopan pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking alvimopan vs pagets_disease_of_bone targets. Cross-check alvimopan pharmacophore against pagets_disease_of_bone pathway. azacitidine leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking azacitidine vs leprosy targets. Cross-check azacitidine pharmacophore against leprosy pathway. butenafine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking butenafine vs pagets_disease_of_bone targets. Cross-check butenafine pharmacophore against pagets_disease_of_bone pathway. diclofenamide leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking diclofenamide vs leprosy targets. Cross-check diclofenamide pharmacophore against leprosy pathway. doxepin pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking doxepin vs pagets_disease_of_bone targets. Cross-check doxepin pharmacophore against pagets_disease_of_bone pathway. droperidol leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking droperidol vs leprosy targets. Cross-check droperidol pharmacophore against leprosy pathway. fluspirilene leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking fluspirilene vs leprosy targets. Cross-check fluspirilene pharmacophore against leprosy pathway. furosemide leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking furosemide vs leprosy targets. Cross-check furosemide pharmacophore against leprosy pathway. l-histidine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking l-histidine vs pagets_disease_of_bone targets. Cross-check l-histidine pharmacophore against pagets_disease_of_bone pathway. nandrolone_phenpropionate leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking nandrolone_phenpropionate vs leprosy targets. Cross-check nandrolone_phenpropionate pharmacophore against leprosy pathway. norelgestromin leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking norelgestromin vs leprosy targets. Cross-check norelgestromin pharmacophore against leprosy pathway. phenylpropanolamine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking phenylpropanolamine vs pagets_disease_of_bone targets. Cross-check phenylpropanolamine pharmacophore against pagets_disease_of_bone pathway. pseudoephedrine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking pseudoephedrine vs pagets_disease_of_bone targets. Cross-check pseudoephedrine pharmacophore against pagets_disease_of_bone pathway. regadenoson leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking regadenoson vs leprosy targets. Cross-check regadenoson pharmacophore against leprosy pathway. stanozolol leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking stanozolol vs leprosy targets. Cross-check stanozolol pharmacophore against leprosy pathway. thiamylal peripheral_nervous_system_neoplasm GAP_LOW 0.1137 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs peripheral_nervous_system_neoplasm targets. Cross-check thiamylal pharmacophore against peripheral_nervous_system_neoplasm pathway. tretinoin leprosy GAP_LOW 0.1137 0.0 sulfapyridine Low-priority: Computational docking tretinoin vs leprosy targets. Cross-check tretinoin pharmacophore against leprosy pathway. vinblastine pagets_disease_of_bone GAP_LOW 0.1137 0.0 ibandronate Low-priority: Computational docking vinblastine vs pagets_disease_of_bone targets. Cross-check vinblastine pharmacophore against pagets_disease_of_bone pathway. trimipramine hematologic_cancer GAP_HIGH 0.1136 0.375 clofedanol High-priority: Binding assay trimipramine→?; validate in hematologic_cancer cell model. Expected: similar to clofedanol (Jaccard=0.38) droxidopa thymus_cancer GAP_HIGH 0.1136 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) pargyline stomach_cancer GAP_HIGH 0.1136 0.25925925925925924 phenacemide High-priority: Binding assay pargyline→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.26) diazepam thymus_cancer GAP_HIGH 0.1136 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) procaine allergic_rhinitis GAP_HIGH 0.1136 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in allergic_rhinitis cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine atopic_dermatitis GAP_HIGH 0.1136 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in atopic_dermatitis cell model. Expected: similar to tranylcypromine (Jaccard=0.25) procaine breast_cancer GAP_HIGH 0.1136 0.25 phenmetrazine High-priority: Binding assay procaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.25) procaine hypertension GAP_HIGH 0.1136 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in hypertension cell model. Expected: similar to tranylcypromine (Jaccard=0.25) amoxapine melanoma GAP_HIGH 0.1136 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.22) alvimopan idiopathic_pulmonary_fibrosis GAP_HIGH 0.1136 0.1875 propafenone High-priority: Binding assay alvimopan→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.19) danazol endogenous_depression GAP_HIGH 0.1136 0.18181818181818182 naloxone High-priority: Binding assay danazol→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.18) dimetindene idiopathic_pulmonary_fibrosis GAP_HIGH 0.1136 0.16666666666666666 atomoxetine High-priority: Binding assay dimetindene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.17) flurazepam type_2_diabetes_mellitus GAP_HIGH 0.1136 0.16666666666666666 chlordiazepoxide High-priority: Binding assay flurazepam→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to chlordiazepoxide (Jaccard=0.17) indapamide pharynx_cancer GAP_HIGH 0.1136 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in pharynx_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) testosterone refractive_error GAP_HIGH 0.1136 0.16666666666666666 choline High-priority: Binding assay testosterone→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.17) ethylmorphine pharynx_cancer GAP_HIGH 0.1136 0.16 phenylbutazone High-priority: Binding assay ethylmorphine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) pimozide azoospermia GAP_HIGH 0.1136 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in azoospermia cell model. Expected: similar to fentanyl (Jaccard=0.16) naloxone autistic_disorder GAP_LOW 0.1136 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs autistic_disorder targets. Cross-check naloxone pharmacophore against autistic_disorder pathway. tretinoin lung_cancer GAP_LOW 0.1136 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs lung_cancer targets. Cross-check tretinoin pharmacophore against lung_cancer pathway. tretinoin rectum_cancer GAP_LOW 0.1136 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs rectum_cancer targets. Cross-check tretinoin pharmacophore against rectum_cancer pathway. chlorphenesin type_1_diabetes_mellitus GAP_LOW 0.1136 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs type_1_diabetes_mellitus targets. Cross-check chlorphenesin pharmacophore against type_1_diabetes_mellitus pathway. ethotoin celiac_disease GAP_LOW 0.1136 0.125 chlorcyclizine Low-priority: Computational docking ethotoin vs celiac_disease targets. Cross-check ethotoin pharmacophore against celiac_disease pathway. indecainide bone_cancer GAP_LOW 0.1136 0.125 alendronate Low-priority: Computational docking indecainide vs bone_cancer targets. Cross-check indecainide pharmacophore against bone_cancer pathway. chlorpropamide mediastinal_cancer GAP_LOW 0.1136 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs mediastinal_cancer targets. Cross-check chlorpropamide pharmacophore against mediastinal_cancer pathway. zolpidem ocular_cancer GAP_LOW 0.1136 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs ocular_cancer targets. Cross-check zolpidem pharmacophore against ocular_cancer pathway. theophylline alzheimers_disease GAP_LOW 0.1136 0.1 nitrazepam Low-priority: Computational docking theophylline vs alzheimers_disease targets. Cross-check theophylline pharmacophore against alzheimers_disease pathway. theophylline parkinsons_disease GAP_LOW 0.1136 0.1 nitrazepam Low-priority: Computational docking theophylline vs parkinsons_disease targets. Cross-check theophylline pharmacophore against parkinsons_disease pathway. indomethacin celiac_disease GAP_LOW 0.1136 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs celiac_disease targets. Cross-check indomethacin pharmacophore against celiac_disease pathway. tolbutamide hematologic_cancer GAP_LOW 0.1136 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs hematologic_cancer targets. Cross-check tolbutamide pharmacophore against hematologic_cancer pathway. midodrine thymus_cancer GAP_LOW 0.1136 0.07692307692307693 pasireotide Low-priority: Computational docking midodrine vs thymus_cancer targets. Cross-check midodrine pharmacophore against thymus_cancer pathway. tolbutamide gilles_de_la_tourette_syndrome GAP_LOW 0.1136 0.06666666666666667 difenoxin Low-priority: Computational docking tolbutamide vs gilles_de_la_tourette_syndrome targets. Cross-check tolbutamide pharmacophore against gilles_de_la_tourette_syndrome pathway. treprostinil thymus_cancer GAP_LOW 0.1136 0.06666666666666667 ifenprodil Low-priority: Computational docking treprostinil vs thymus_cancer targets. Cross-check treprostinil pharmacophore against thymus_cancer pathway. aminocaproic_acid germ_cell_cancer GAP_LOW 0.1136 0.045454545454545456 topotecan Low-priority: Computational docking aminocaproic_acid vs germ_cell_cancer targets. Cross-check aminocaproic_acid pharmacophore against germ_cell_cancer pathway. l-methionine alopecia_areata GAP_LOW 0.1136 0.02127659574468085 fluticasone_propionate Low-priority: Computational docking l-methionine vs alopecia_areata targets. Cross-check l-methionine pharmacophore against alopecia_areata pathway. conivaptan focal_segmental_glomerulosclerosis GAP_LOW 0.1136 0.0 methdilazine Low-priority: Computational docking conivaptan vs focal_segmental_glomerulosclerosis targets. Cross-check conivaptan pharmacophore against focal_segmental_glomerulosclerosis pathway. eprosartan focal_segmental_glomerulosclerosis GAP_LOW 0.1136 0.0 methdilazine Low-priority: Computational docking eprosartan vs focal_segmental_glomerulosclerosis targets. Cross-check eprosartan pharmacophore against focal_segmental_glomerulosclerosis pathway. perphenazine thyroid_cancer GAP_HIGH 0.1135 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) desipramine pharynx_cancer GAP_HIGH 0.1135 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) clotrimazole penile_cancer GAP_HIGH 0.1135 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in penile_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) promethazine malaria GAP_HIGH 0.1135 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.27) procaine bipolar_disorder GAP_HIGH 0.1135 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in bipolar_disorder cell model. Expected: similar to tranylcypromine (Jaccard=0.25) prochlorperazine crohns_disease GAP_HIGH 0.1135 0.25 epinastine High-priority: Binding assay prochlorperazine→?; validate in crohns_disease cell model. Expected: similar to epinastine (Jaccard=0.25) adenosine_triphosphate systemic_scleroderma GAP_HIGH 0.1135 0.23076923076923078 ribavirin High-priority: Binding assay adenosine_triphosphate→?; validate in systemic_scleroderma cell model. Expected: similar to ribavirin (Jaccard=0.23) cinnarizine thyroid_cancer GAP_HIGH 0.1135 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) s-adenosylmethionine skin_cancer GAP_HIGH 0.1135 0.22641509433962265 clofarabine High-priority: Binding assay s-adenosylmethionine→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.23) loteprednol azoospermia GAP_HIGH 0.1135 0.2 atropine High-priority: Binding assay loteprednol→?; validate in azoospermia cell model. Expected: similar to atropine (Jaccard=0.20) mitiglinide gilles_de_la_tourette_syndrome GAP_HIGH 0.1135 0.2 alvimopan High-priority: Binding assay mitiglinide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.20) sulfaphenazole uterine_cancer GAP_HIGH 0.1135 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in uterine_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) alendronate rectum_cancer GAP_HIGH 0.1135 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in rectum_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.18) testosterone malignant_mesothelioma GAP_HIGH 0.1135 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) tolterodine esophageal_cancer GAP_HIGH 0.1135 0.18181818181818182 tamoxifen High-priority: Binding assay tolterodine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) ospemifene vascular_cancer GAP_HIGH 0.1135 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in vascular_cancer cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) glucosamine glaucoma GAP_HIGH 0.1135 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) alvimopan atherosclerosis GAP_LOW 0.1135 0.14285714285714285 mefenamic_acid Low-priority: Computational docking alvimopan vs atherosclerosis targets. Cross-check alvimopan pharmacophore against atherosclerosis pathway. alvimopan lymphatic_system_cancer GAP_LOW 0.1135 0.14285714285714285 aciclovir Low-priority: Computational docking alvimopan vs lymphatic_system_cancer targets. Cross-check alvimopan pharmacophore against lymphatic_system_cancer pathway. pimozide glaucoma GAP_LOW 0.1135 0.14285714285714285 hydrochlorothiazide Low-priority: Computational docking pimozide vs glaucoma targets. Cross-check pimozide pharmacophore against glaucoma pathway. ethylmorphine refractive_error GAP_LOW 0.1135 0.13333333333333333 metaraminol Low-priority: Computational docking ethylmorphine vs refractive_error targets. Cross-check ethylmorphine pharmacophore against refractive_error pathway. levonorgestrel type_1_diabetes_mellitus GAP_LOW 0.1135 0.13043478260869565 hydrocortisone Low-priority: Computational docking levonorgestrel vs type_1_diabetes_mellitus targets. Cross-check levonorgestrel pharmacophore against type_1_diabetes_mellitus pathway. calcitriol conduct_disorder GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking calcitriol vs conduct_disorder targets. Cross-check calcitriol pharmacophore against conduct_disorder pathway. calcitriol panic_disorder GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking calcitriol vs panic_disorder targets. Cross-check calcitriol pharmacophore against panic_disorder pathway. calcitriol schizophrenia GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking calcitriol vs schizophrenia targets. Cross-check calcitriol pharmacophore against schizophrenia pathway. l-phenylalanine hepatitis_b GAP_LOW 0.1135 0.125 nateglinide Low-priority: Computational docking l-phenylalanine vs hepatitis_b targets. Cross-check l-phenylalanine pharmacophore against hepatitis_b pathway. paricalcitol alzheimers_disease GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking paricalcitol vs alzheimers_disease targets. Cross-check paricalcitol pharmacophore against alzheimers_disease pathway. paricalcitol autistic_disorder GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking paricalcitol vs autistic_disorder targets. Cross-check paricalcitol pharmacophore against autistic_disorder pathway. paricalcitol nicotine_dependence GAP_LOW 0.1135 0.125 pimozide Low-priority: Computational docking paricalcitol vs nicotine_dependence targets. Cross-check paricalcitol pharmacophore against nicotine_dependence pathway. paricalcitol parkinsons_disease GAP_LOW 0.1135 0.125 zolpidem Low-priority: Computational docking paricalcitol vs parkinsons_disease targets. Cross-check paricalcitol pharmacophore against parkinsons_disease pathway. telmisartan membranous_glomerulonephritis GAP_LOW 0.1135 0.125 alvimopan Low-priority: Computational docking telmisartan vs membranous_glomerulonephritis targets. Cross-check telmisartan pharmacophore against membranous_glomerulonephritis pathway. chlorpropamide thymus_cancer GAP_LOW 0.1135 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs thymus_cancer targets. Cross-check chlorpropamide pharmacophore against thymus_cancer pathway. theophylline amyotrophic_lateral_sclerosis GAP_LOW 0.1135 0.1 nitrazepam Low-priority: Computational docking theophylline vs amyotrophic_lateral_sclerosis targets. Cross-check theophylline pharmacophore against amyotrophic_lateral_sclerosis pathway. theophylline autistic_disorder GAP_LOW 0.1135 0.1 nitrazepam Low-priority: Computational docking theophylline vs autistic_disorder targets. Cross-check theophylline pharmacophore against autistic_disorder pathway. theophylline nicotine_dependence GAP_LOW 0.1135 0.1 nitrazepam Low-priority: Computational docking theophylline vs nicotine_dependence targets. Cross-check theophylline pharmacophore against nicotine_dependence pathway. adenosine type_1_diabetes_mellitus GAP_LOW 0.1135 0.08333333333333333 tioguanine Low-priority: Computational docking adenosine vs type_1_diabetes_mellitus targets. Cross-check adenosine pharmacophore against type_1_diabetes_mellitus pathway. felypressin restless_legs_syndrome GAP_LOW 0.1135 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs restless_legs_syndrome targets. Cross-check felypressin pharmacophore against restless_legs_syndrome pathway. terlipressin restless_legs_syndrome GAP_LOW 0.1135 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs restless_legs_syndrome targets. Cross-check terlipressin pharmacophore against restless_legs_syndrome pathway. prazepam idiopathic_pulmonary_fibrosis GAP_LOW 0.1135 0.07692307692307693 anisotropine_methylbromide Low-priority: Computational docking prazepam vs idiopathic_pulmonary_fibrosis targets. Cross-check prazepam pharmacophore against idiopathic_pulmonary_fibrosis pathway. treprostinil stomach_cancer GAP_LOW 0.1135 0.07692307692307693 lidocaine Low-priority: Computational docking treprostinil vs stomach_cancer targets. Cross-check treprostinil pharmacophore against stomach_cancer pathway. imatinib atherosclerosis GAP_LOW 0.1135 0.075 acetylsalicylic_acid Low-priority: Computational docking imatinib vs atherosclerosis targets. Cross-check imatinib pharmacophore against atherosclerosis pathway. l-cysteine azoospermia GAP_LOW 0.1135 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs azoospermia targets. Cross-check l-cysteine pharmacophore against azoospermia pathway. imatinib dilated_cardiomyopathy GAP_LOW 0.1135 0.023809523809523808 progesterone Low-priority: Computational docking imatinib vs dilated_cardiomyopathy targets. Cross-check imatinib pharmacophore against dilated_cardiomyopathy pathway. carboprost_tromethamine gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking carboprost_tromethamine vs gilles_de_la_tourette_syndrome targets. Cross-check carboprost_tromethamine pharmacophore against gilles_de_la_tourette_syndrome pathway. conivaptan gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking conivaptan vs gilles_de_la_tourette_syndrome targets. Cross-check conivaptan pharmacophore against gilles_de_la_tourette_syndrome pathway. dinoprost_tromethamine gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking dinoprost_tromethamine vs gilles_de_la_tourette_syndrome targets. Cross-check dinoprost_tromethamine pharmacophore against gilles_de_la_tourette_syndrome pathway. dinoprostone gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking dinoprostone vs gilles_de_la_tourette_syndrome targets. Cross-check dinoprostone pharmacophore against gilles_de_la_tourette_syndrome pathway. epoprostenol gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking epoprostenol vs gilles_de_la_tourette_syndrome targets. Cross-check epoprostenol pharmacophore against gilles_de_la_tourette_syndrome pathway. tafluprost gilles_de_la_tourette_syndrome GAP_LOW 0.1135 0.0 loxapine Low-priority: Computational docking tafluprost vs gilles_de_la_tourette_syndrome targets. Cross-check tafluprost pharmacophore against gilles_de_la_tourette_syndrome pathway. flurbiprofen urinary_bladder_cancer GAP_HIGH 0.1134 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.31) isoprenaline migraine GAP_HIGH 0.1134 0.2857142857142857 l-dopa High-priority: Binding assay isoprenaline→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.29) brompheniramine primary_biliary_cirrhosis GAP_HIGH 0.1134 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.25) procaine endogenous_depression GAP_HIGH 0.1134 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in endogenous_depression cell model. Expected: similar to tranylcypromine (Jaccard=0.25) reboxetine atherosclerosis GAP_HIGH 0.1134 0.23076923076923078 warfarin High-priority: Binding assay reboxetine→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.23) fosphenytoin membranous_glomerulonephritis GAP_HIGH 0.1134 0.2222222222222222 chlorprothixene High-priority: Binding assay fosphenytoin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.22) atropine penile_cancer GAP_HIGH 0.1134 0.2 topotecan High-priority: Binding assay atropine→?; validate in penile_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) epirubicin chronic_obstructive_pulmonary_disease GAP_HIGH 0.1134 0.2 trovafloxacin High-priority: Binding assay epirubicin→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to trovafloxacin (Jaccard=0.20) epirubicin epilepsy_syndrome GAP_HIGH 0.1134 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in epilepsy_syndrome cell model. Expected: similar to amsacrine (Jaccard=0.20) crizotinib brain_cancer GAP_HIGH 0.1134 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) crizotinib intracranial_aneurysm GAP_HIGH 0.1134 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.18) chlorphenesin melanoma GAP_HIGH 0.1134 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in melanoma cell model. Expected: similar to pantoprazole (Jaccard=0.17) tretinoin liver_cancer GAP_LOW 0.1134 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs liver_cancer targets. Cross-check tretinoin pharmacophore against liver_cancer pathway. zafirlukast uterine_cancer GAP_LOW 0.1134 0.13333333333333333 pasireotide Low-priority: Computational docking zafirlukast vs uterine_cancer targets. Cross-check zafirlukast pharmacophore against uterine_cancer pathway. calcitriol allergic_rhinitis GAP_LOW 0.1134 0.125 loteprednol Low-priority: Computational docking calcitriol vs allergic_rhinitis targets. Cross-check calcitriol pharmacophore against allergic_rhinitis pathway. calcitriol atopic_dermatitis GAP_LOW 0.1134 0.125 loteprednol Low-priority: Computational docking calcitriol vs atopic_dermatitis targets. Cross-check calcitriol pharmacophore against atopic_dermatitis pathway. dapsone creutzfeldt-jakob_disease GAP_LOW 0.1134 0.125 nateglinide Low-priority: Computational docking dapsone vs creutzfeldt-jakob_disease targets. Cross-check dapsone pharmacophore against creutzfeldt-jakob_disease pathway. paricalcitol amyotrophic_lateral_sclerosis GAP_LOW 0.1134 0.125 zolpidem Low-priority: Computational docking paricalcitol vs amyotrophic_lateral_sclerosis targets. Cross-check paricalcitol pharmacophore against amyotrophic_lateral_sclerosis pathway. pralatrexate crohns_disease GAP_LOW 0.1134 0.125 olsalazine Low-priority: Computational docking pralatrexate vs crohns_disease targets. Cross-check pralatrexate pharmacophore against crohns_disease pathway. calcitriol primary_biliary_cirrhosis GAP_LOW 0.1134 0.1111111111111111 tauroursodeoxycholic_acid Low-priority: Computational docking calcitriol vs primary_biliary_cirrhosis targets. Cross-check calcitriol pharmacophore against primary_biliary_cirrhosis pathway. gliclazide alzheimers_disease GAP_LOW 0.1134 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs alzheimers_disease targets. Cross-check gliclazide pharmacophore against alzheimers_disease pathway. gliclazide parkinsons_disease GAP_LOW 0.1134 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs parkinsons_disease targets. Cross-check gliclazide pharmacophore against parkinsons_disease pathway. phenylephrine head_and_neck_cancer GAP_LOW 0.1134 0.1111111111111111 topotecan Low-priority: Computational docking phenylephrine vs head_and_neck_cancer targets. Cross-check phenylephrine pharmacophore against head_and_neck_cancer pathway. phenylephrine kidney_cancer GAP_LOW 0.1134 0.1111111111111111 benzocaine Low-priority: Computational docking phenylephrine vs kidney_cancer targets. Cross-check phenylephrine pharmacophore against kidney_cancer pathway. phenylephrine malignant_glioma GAP_LOW 0.1134 0.1111111111111111 topotecan Low-priority: Computational docking phenylephrine vs malignant_glioma targets. Cross-check phenylephrine pharmacophore against malignant_glioma pathway. cinchocaine gilles_de_la_tourette_syndrome GAP_LOW 0.1134 0.1 modafinil Low-priority: Computational docking cinchocaine vs gilles_de_la_tourette_syndrome targets. Cross-check cinchocaine pharmacophore against gilles_de_la_tourette_syndrome pathway. tolbutamide alzheimers_disease GAP_LOW 0.1134 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs alzheimers_disease targets. Cross-check tolbutamide pharmacophore against alzheimers_disease pathway. tolbutamide parkinsons_disease GAP_LOW 0.1134 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs parkinsons_disease targets. Cross-check tolbutamide pharmacophore against parkinsons_disease pathway. nabumetone sclerosing_cholangitis GAP_LOW 0.1134 0.09090909090909091 hydromorphone Low-priority: Computational docking nabumetone vs sclerosing_cholangitis targets. Cross-check nabumetone pharmacophore against sclerosing_cholangitis pathway. felypressin vitiligo GAP_LOW 0.1134 0.08333333333333333 zolpidem Low-priority: Computational docking felypressin vs vitiligo targets. Cross-check felypressin pharmacophore against vitiligo pathway. terlipressin vitiligo GAP_LOW 0.1134 0.08333333333333333 zolpidem Low-priority: Computational docking terlipressin vs vitiligo targets. Cross-check terlipressin pharmacophore against vitiligo pathway. desmopressin glaucoma GAP_LOW 0.1134 0.07692307692307693 methacholine Low-priority: Computational docking desmopressin vs glaucoma targets. Cross-check desmopressin pharmacophore against glaucoma pathway. aciclovir atherosclerosis GAP_LOW 0.1134 0.043478260869565216 bezafibrate Low-priority: Computational docking aciclovir vs atherosclerosis targets. Cross-check aciclovir pharmacophore against atherosclerosis pathway. calcium_acetate larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking calcium_acetate vs larynx_cancer targets. Cross-check calcium_acetate pharmacophore against larynx_cancer pathway. isradipine larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking isradipine vs larynx_cancer targets. Cross-check isradipine pharmacophore against larynx_cancer pathway. lercanidipine larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking lercanidipine vs larynx_cancer targets. Cross-check lercanidipine pharmacophore against larynx_cancer pathway. nimodipine larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking nimodipine vs larynx_cancer targets. Cross-check nimodipine pharmacophore against larynx_cancer pathway. nisoldipine larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking nisoldipine vs larynx_cancer targets. Cross-check nisoldipine pharmacophore against larynx_cancer pathway. papaverine larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking papaverine vs larynx_cancer targets. Cross-check papaverine pharmacophore against larynx_cancer pathway. tofisopam larynx_cancer GAP_LOW 0.1134 0.0 vinblastine Low-priority: Computational docking tofisopam vs larynx_cancer targets. Cross-check tofisopam pharmacophore against larynx_cancer pathway. warfarin hematologic_cancer GAP_HIGH 0.1133 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in hematologic_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) zuclopenthixol melanoma GAP_HIGH 0.1133 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.32) ethinyl_estradiol metabolic_syndrome_x GAP_HIGH 0.1133 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in metabolic_syndrome_x cell model. Expected: similar to hydrocortisone (Jaccard=0.29) l-tyrosine celiac_disease GAP_HIGH 0.1133 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.28) doxorubicin psoriatic_arthritis GAP_HIGH 0.1133 0.2727272727272727 benazepril High-priority: Binding assay doxorubicin→?; validate in psoriatic_arthritis cell model. Expected: similar to benazepril (Jaccard=0.27) l-tyrosine intracranial_aneurysm GAP_HIGH 0.1133 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.27) brompheniramine gout GAP_HIGH 0.1133 0.25 doxepin High-priority: Binding assay brompheniramine→?; validate in gout cell model. Expected: similar to doxepin (Jaccard=0.25) procaine multiple_sclerosis GAP_HIGH 0.1133 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in multiple_sclerosis cell model. Expected: similar to tranylcypromine (Jaccard=0.25) bevantolol melanoma GAP_HIGH 0.1133 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in melanoma cell model. Expected: similar to clotrimazole (Jaccard=0.24) salicylic_acid type_1_diabetes_mellitus GAP_HIGH 0.1133 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.22) chloroprocaine mediastinal_cancer GAP_HIGH 0.1133 0.21052631578947367 warfarin High-priority: Binding assay chloroprocaine→?; validate in mediastinal_cancer cell model. Expected: similar to warfarin (Jaccard=0.21) oxybuprocaine epilepsy_syndrome GAP_HIGH 0.1133 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in epilepsy_syndrome cell model. Expected: similar to phenmetrazine (Jaccard=0.21) indapamide thyroid_cancer GAP_HIGH 0.1133 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in thyroid_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) ospemifene systemic_scleroderma GAP_HIGH 0.1133 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in systemic_scleroderma cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) diethylpropion refractive_error GAP_HIGH 0.1133 0.15789473684210525 phenylpropanolamine High-priority: Binding assay diethylpropion→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.16) levomilnacipran pharynx_cancer GAP_HIGH 0.1133 0.15384615384615385 lacosamide High-priority: Binding assay levomilnacipran→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) naloxone attention_deficit_hyperactivity_disorder GAP_LOW 0.1133 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs attention_deficit_hyperactivity_disorder targets. Cross-check naloxone pharmacophore against attention_deficit_hyperactivity_disorder pathway. calcitriol bipolar_disorder GAP_LOW 0.1133 0.125 pimozide Low-priority: Computational docking calcitriol vs bipolar_disorder targets. Cross-check calcitriol pharmacophore against bipolar_disorder pathway. gliclazide amyotrophic_lateral_sclerosis GAP_LOW 0.1133 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs amyotrophic_lateral_sclerosis targets. Cross-check gliclazide pharmacophore against amyotrophic_lateral_sclerosis pathway. gliclazide autistic_disorder GAP_LOW 0.1133 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs autistic_disorder targets. Cross-check gliclazide pharmacophore against autistic_disorder pathway. phenylephrine nephrolithiasis GAP_LOW 0.1133 0.1111111111111111 benzocaine Low-priority: Computational docking phenylephrine vs nephrolithiasis targets. Cross-check phenylephrine pharmacophore against nephrolithiasis pathway. zolpidem urinary_bladder_cancer GAP_LOW 0.1133 0.1111111111111111 procarbazine Low-priority: Computational docking zolpidem vs urinary_bladder_cancer targets. Cross-check zolpidem pharmacophore against urinary_bladder_cancer pathway. sulfadiazine acquired_immunodeficiency_syndrome GAP_LOW 0.1133 0.10526315789473684 lisinopril Low-priority: Computational docking sulfadiazine vs acquired_immunodeficiency_syndrome targets. Cross-check sulfadiazine pharmacophore against acquired_immunodeficiency_syndrome pathway. theophylline attention_deficit_hyperactivity_disorder GAP_LOW 0.1133 0.1 nitrazepam Low-priority: Computational docking theophylline vs attention_deficit_hyperactivity_disorder targets. Cross-check theophylline pharmacophore against attention_deficit_hyperactivity_disorder pathway. tolbutamide amyotrophic_lateral_sclerosis GAP_LOW 0.1133 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs amyotrophic_lateral_sclerosis targets. Cross-check tolbutamide pharmacophore against amyotrophic_lateral_sclerosis pathway. tolbutamide autistic_disorder GAP_LOW 0.1133 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs autistic_disorder targets. Cross-check tolbutamide pharmacophore against autistic_disorder pathway. tolbutamide nicotine_dependence GAP_LOW 0.1133 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs nicotine_dependence targets. Cross-check tolbutamide pharmacophore against nicotine_dependence pathway. cinchocaine hepatitis_b GAP_LOW 0.1133 0.08333333333333333 mitiglinide Low-priority: Computational docking cinchocaine vs hepatitis_b targets. Cross-check cinchocaine pharmacophore against hepatitis_b pathway. latanoprost prostate_cancer GAP_LOW 0.1133 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking latanoprost vs prostate_cancer targets. Cross-check latanoprost pharmacophore against prostate_cancer pathway. felypressin primary_biliary_cirrhosis GAP_LOW 0.1133 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs primary_biliary_cirrhosis targets. Cross-check felypressin pharmacophore against primary_biliary_cirrhosis pathway. latanoprost penile_cancer GAP_LOW 0.1133 0.06666666666666667 procarbazine Low-priority: Computational docking latanoprost vs penile_cancer targets. Cross-check latanoprost pharmacophore against penile_cancer pathway. lidocaine alcohol_dependence GAP_LOW 0.1133 0.06666666666666667 naloxone Low-priority: Computational docking lidocaine vs alcohol_dependence targets. Cross-check lidocaine pharmacophore against alcohol_dependence pathway. terlipressin primary_biliary_cirrhosis GAP_LOW 0.1133 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs primary_biliary_cirrhosis targets. Cross-check terlipressin pharmacophore against primary_biliary_cirrhosis pathway. adenosine malaria GAP_LOW 0.1133 0.0625 caffeine Low-priority: Computational docking adenosine vs malaria targets. Cross-check adenosine pharmacophore against malaria pathway. agomelatine malaria GAP_LOW 0.1133 0.0625 sulfanilamide Low-priority: Computational docking agomelatine vs malaria targets. Cross-check agomelatine pharmacophore against malaria pathway. gliclazide gilles_de_la_tourette_syndrome GAP_LOW 0.1133 0.0625 alvimopan Low-priority: Computational docking gliclazide vs gilles_de_la_tourette_syndrome targets. Cross-check gliclazide pharmacophore against gilles_de_la_tourette_syndrome pathway. lenalidomide acquired_immunodeficiency_syndrome GAP_LOW 0.1133 0.047619047619047616 vidarabine Low-priority: Computational docking lenalidomide vs acquired_immunodeficiency_syndrome targets. Cross-check lenalidomide pharmacophore against acquired_immunodeficiency_syndrome pathway. lercanidipine gout GAP_LOW 0.1133 0.037037037037037035 modafinil Low-priority: Computational docking lercanidipine vs gout targets. Cross-check lercanidipine pharmacophore against gout pathway. l-asparagine germ_cell_cancer GAP_LOW 0.1133 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs germ_cell_cancer targets. Cross-check l-asparagine pharmacophore against germ_cell_cancer pathway. nabumetone malaria GAP_LOW 0.1133 0.02127659574468085 phensuximide Low-priority: Computational docking nabumetone vs malaria targets. Cross-check nabumetone pharmacophore against malaria pathway. amlodipine type_1_diabetes_mellitus GAP_LOW 0.1133 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs type_1_diabetes_mellitus targets. Cross-check amlodipine pharmacophore against type_1_diabetes_mellitus pathway. conivaptan type_1_diabetes_mellitus GAP_LOW 0.1133 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs type_1_diabetes_mellitus targets. Cross-check conivaptan pharmacophore against type_1_diabetes_mellitus pathway. mequitazine crohns_disease GAP_HIGH 0.1132 0.2857142857142857 nortriptyline High-priority: Binding assay mequitazine→?; validate in crohns_disease cell model. Expected: similar to nortriptyline (Jaccard=0.29) erlotinib pancreatic_cancer GAP_HIGH 0.1132 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in pancreatic_cancer cell model. Expected: similar to lapatinib (Jaccard=0.27) salicylic_acid chronic_obstructive_pulmonary_disease GAP_HIGH 0.1132 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) indecainide salivary_gland_cancer GAP_HIGH 0.1132 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in salivary_gland_cancer cell model. Expected: similar to penbutolol (Jaccard=0.25) diphemanil_methylsulfate brain_cancer GAP_HIGH 0.1132 0.2222222222222222 levorphanol High-priority: Binding assay diphemanil_methylsulfate→?; validate in brain_cancer cell model. Expected: similar to levorphanol (Jaccard=0.22) levorphanol azoospermia GAP_HIGH 0.1132 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in azoospermia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) chloroprocaine thymus_cancer GAP_HIGH 0.1132 0.21052631578947367 warfarin High-priority: Binding assay chloroprocaine→?; validate in thymus_cancer cell model. Expected: similar to warfarin (Jaccard=0.21) atropine malignant_mesothelioma GAP_HIGH 0.1132 0.2 topotecan High-priority: Binding assay atropine→?; validate in malignant_mesothelioma cell model. Expected: similar to topotecan (Jaccard=0.20) crizotinib crohns_disease GAP_HIGH 0.1132 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in crohns_disease cell model. Expected: similar to sorafenib (Jaccard=0.20) probenecid skin_cancer GAP_HIGH 0.1132 0.2 warfarin High-priority: Binding assay probenecid→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) imipramine meningioma GAP_HIGH 0.1132 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.17) ospemifene uterine_fibroid GAP_HIGH 0.1132 0.16666666666666666 fluticasone_propionate High-priority: Binding assay ospemifene→?; validate in uterine_fibroid cell model. Expected: similar to fluticasone_propionate (Jaccard=0.17) pamidronate crohns_disease GAP_HIGH 0.1132 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in crohns_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) calcitriol endogenous_depression GAP_LOW 0.1132 0.125 pimozide Low-priority: Computational docking calcitriol vs endogenous_depression targets. Cross-check calcitriol pharmacophore against endogenous_depression pathway. ergocalciferol lung_cancer GAP_LOW 0.1132 0.125 medroxyprogesterone_acetate Low-priority: Computational docking ergocalciferol vs lung_cancer targets. Cross-check ergocalciferol pharmacophore against lung_cancer pathway. paricalcitol attention_deficit_hyperactivity_disorder GAP_LOW 0.1132 0.125 pimozide Low-priority: Computational docking paricalcitol vs attention_deficit_hyperactivity_disorder targets. Cross-check paricalcitol pharmacophore against attention_deficit_hyperactivity_disorder pathway. calcitriol esophageal_cancer GAP_LOW 0.1132 0.08333333333333333 fulvestrant Low-priority: Computational docking calcitriol vs esophageal_cancer targets. Cross-check calcitriol pharmacophore against esophageal_cancer pathway. naloxone hepatitis_b GAP_LOW 0.1132 0.07407407407407407 glucosamine Low-priority: Computational docking naloxone vs hepatitis_b targets. Cross-check naloxone pharmacophore against hepatitis_b pathway. midodrine meningioma GAP_LOW 0.1132 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs meningioma targets. Cross-check midodrine pharmacophore against meningioma pathway. l-methionine esophageal_cancer GAP_LOW 0.1132 0.024390243902439025 fluorouracil Low-priority: Computational docking l-methionine vs esophageal_cancer targets. Cross-check l-methionine pharmacophore against esophageal_cancer pathway. bezafibrate pagets_disease_of_bone GAP_LOW 0.1132 0.0 ibandronate Low-priority: Computational docking bezafibrate vs pagets_disease_of_bone targets. Cross-check bezafibrate pharmacophore against pagets_disease_of_bone pathway. eplerenone pagets_disease_of_bone GAP_LOW 0.1132 0.0 ibandronate Low-priority: Computational docking eplerenone vs pagets_disease_of_bone targets. Cross-check eplerenone pharmacophore against pagets_disease_of_bone pathway. lacosamide pagets_disease_of_bone GAP_LOW 0.1132 0.0 ibandronate Low-priority: Computational docking lacosamide vs pagets_disease_of_bone targets. Cross-check lacosamide pharmacophore against pagets_disease_of_bone pathway. liothyronine pagets_disease_of_bone GAP_LOW 0.1132 0.0 ibandronate Low-priority: Computational docking liothyronine vs pagets_disease_of_bone targets. Cross-check liothyronine pharmacophore against pagets_disease_of_bone pathway. pheniramine salivary_gland_cancer GAP_HIGH 0.1131 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) chlorprothixene sclerosing_cholangitis GAP_HIGH 0.1131 0.32142857142857145 chlordiazepoxide High-priority: Binding assay chlorprothixene→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.32) etoricoxib restless_legs_syndrome GAP_HIGH 0.1131 0.3076923076923077 quinethazone High-priority: Binding assay etoricoxib→?; validate in restless_legs_syndrome cell model. Expected: similar to quinethazone (Jaccard=0.31) loxapine melanoma GAP_HIGH 0.1131 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) carbidopa germ_cell_cancer GAP_HIGH 0.1131 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.26) adenosine_monophosphate thyroid_cancer GAP_HIGH 0.1131 0.23728813559322035 clofarabine High-priority: Binding assay adenosine_monophosphate→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.24) cinnarizine muscle_cancer GAP_HIGH 0.1131 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) phenprocoumon membranous_glomerulonephritis GAP_HIGH 0.1131 0.23076923076923078 promethazine High-priority: Binding assay phenprocoumon→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.23) salicylic_acid refractive_error GAP_HIGH 0.1131 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.23) clobazam malignant_mesothelioma GAP_HIGH 0.1131 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.20) lidocaine ankylosing_spondylitis GAP_HIGH 0.1131 0.1875 sulfanilamide High-priority: Binding assay lidocaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to sulfanilamide (Jaccard=0.19) sulfamethizole polycystic_ovary_syndrome GAP_HIGH 0.1131 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to polythiazide (Jaccard=0.19) sulfamethizole type_2_diabetes_mellitus GAP_HIGH 0.1131 0.1875 polythiazide High-priority: Binding assay sulfamethizole→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to polythiazide (Jaccard=0.19) diethylpropion duodenum_cancer GAP_HIGH 0.1131 0.18181818181818182 methylphenidate High-priority: Binding assay diethylpropion→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.18) diethylpropion gallbladder_cancer GAP_HIGH 0.1131 0.18181818181818182 methylphenidate High-priority: Binding assay diethylpropion→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.18) sulfadiazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1131 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to droxidopa (Jaccard=0.17) ethylmorphine uterine_cancer GAP_HIGH 0.1131 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) olanzapine gout GAP_HIGH 0.1131 0.16666666666666666 diazepam High-priority: Binding assay olanzapine→?; validate in gout cell model. Expected: similar to diazepam (Jaccard=0.17) docetaxel atherosclerosis GAP_HIGH 0.1131 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) calcipotriol primary_biliary_cirrhosis GAP_LOW 0.1131 0.125 tauroursodeoxycholic_acid Low-priority: Computational docking calcipotriol vs primary_biliary_cirrhosis targets. Cross-check calcipotriol pharmacophore against primary_biliary_cirrhosis pathway. calcitriol migraine GAP_LOW 0.1131 0.125 zolpidem Low-priority: Computational docking calcitriol vs migraine targets. Cross-check calcitriol pharmacophore against migraine pathway. calcitriol multiple_sclerosis GAP_LOW 0.1131 0.125 loteprednol Low-priority: Computational docking calcitriol vs multiple_sclerosis targets. Cross-check calcitriol pharmacophore against multiple_sclerosis pathway. calcitriol sarcoma GAP_LOW 0.1131 0.125 loteprednol Low-priority: Computational docking calcitriol vs sarcoma targets. Cross-check calcitriol pharmacophore against sarcoma pathway. gliclazide attention_deficit_hyperactivity_disorder GAP_LOW 0.1131 0.1111111111111111 lisinopril Low-priority: Computational docking gliclazide vs attention_deficit_hyperactivity_disorder targets. Cross-check gliclazide pharmacophore against attention_deficit_hyperactivity_disorder pathway. pralatrexate refractive_error GAP_LOW 0.1131 0.1111111111111111 dinoprost_tromethamine Low-priority: Computational docking pralatrexate vs refractive_error targets. Cross-check pralatrexate pharmacophore against refractive_error pathway. tolbutamide attention_deficit_hyperactivity_disorder GAP_LOW 0.1131 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs attention_deficit_hyperactivity_disorder targets. Cross-check tolbutamide pharmacophore against attention_deficit_hyperactivity_disorder pathway. nabumetone meningioma GAP_LOW 0.1131 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs meningioma targets. Cross-check nabumetone pharmacophore against meningioma pathway. dihydrotachysterol malaria GAP_LOW 0.1131 0.07142857142857142 sulfamethizole Low-priority: Computational docking dihydrotachysterol vs malaria targets. Cross-check dihydrotachysterol pharmacophore against malaria pathway. glucosamine dilated_cardiomyopathy GAP_LOW 0.1131 0.06896551724137931 trandolapril Low-priority: Computational docking glucosamine vs dilated_cardiomyopathy targets. Cross-check glucosamine pharmacophore against dilated_cardiomyopathy pathway. tolbutamide esophageal_cancer GAP_LOW 0.1131 0.0625 melphalan Low-priority: Computational docking tolbutamide vs esophageal_cancer targets. Cross-check tolbutamide pharmacophore against esophageal_cancer pathway. terlipressin germ_cell_cancer GAP_LOW 0.1131 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs germ_cell_cancer targets. Cross-check terlipressin pharmacophore against germ_cell_cancer pathway. l-cysteine membranous_glomerulonephritis GAP_LOW 0.1131 0.043478260869565216 calcium_acetate Low-priority: Computational docking l-cysteine vs membranous_glomerulonephritis targets. Cross-check l-cysteine pharmacophore against membranous_glomerulonephritis pathway. tretinoin dilated_cardiomyopathy GAP_LOW 0.1131 0.043478260869565216 progesterone Low-priority: Computational docking tretinoin vs dilated_cardiomyopathy targets. Cross-check tretinoin pharmacophore against dilated_cardiomyopathy pathway. mannitol azoospermia GAP_LOW 0.1131 0.0 phenylbutazone Low-priority: Computational docking mannitol vs azoospermia targets. Cross-check mannitol pharmacophore against azoospermia pathway. thiamylal ulcerative_colitis GAP_LOW 0.1131 0.0 loxapine Low-priority: Computational docking thiamylal vs ulcerative_colitis targets. Cross-check thiamylal pharmacophore against ulcerative_colitis pathway. loperamide coronary_artery_disease GAP_HIGH 0.113 0.3448275862068966 methadone High-priority: Binding assay loperamide→?; validate in coronary_artery_disease cell model. Expected: similar to methadone (Jaccard=0.34) amitriptyline sarcoma GAP_HIGH 0.113 0.3333333333333333 reboxetine High-priority: Binding assay amitriptyline→?; validate in sarcoma cell model. Expected: similar to reboxetine (Jaccard=0.33) perphenazine muscle_cancer GAP_HIGH 0.113 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) carbinoxamine ulcerative_colitis GAP_HIGH 0.113 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in ulcerative_colitis cell model. Expected: similar to alimemazine (Jaccard=0.31) pirenzepine sarcoma GAP_HIGH 0.113 0.3 ethopropazine High-priority: Binding assay pirenzepine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.30) salicylic_acid pancreatitis GAP_HIGH 0.113 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in pancreatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) azelastine melanoma GAP_HIGH 0.113 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) fosphenytoin duodenum_cancer GAP_HIGH 0.113 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in duodenum_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) fosphenytoin gallbladder_cancer GAP_HIGH 0.113 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in gallbladder_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) azatadine celiac_disease GAP_HIGH 0.113 0.21428571428571427 chlorcyclizine High-priority: Binding assay azatadine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.21) mitiglinide glaucoma GAP_HIGH 0.113 0.2 l-tryptophan High-priority: Binding assay mitiglinide→?; validate in glaucoma cell model. Expected: similar to l-tryptophan (Jaccard=0.20) propafenone hepatitis_b GAP_HIGH 0.113 0.1875 alvimopan High-priority: Binding assay propafenone→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.19) phenformin stomach_cancer GAP_HIGH 0.113 0.18181818181818182 phenacemide High-priority: Binding assay phenformin→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.18) chlorphenesin sclerosing_cholangitis GAP_HIGH 0.113 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in sclerosing_cholangitis cell model. Expected: similar to pantoprazole (Jaccard=0.17) drostanolone head_and_neck_cancer GAP_HIGH 0.113 0.16666666666666666 medrysone High-priority: Binding assay drostanolone→?; validate in head_and_neck_cancer cell model. Expected: similar to medrysone (Jaccard=0.17) flunarizine membranous_glomerulonephritis GAP_HIGH 0.113 0.16666666666666666 cyamemazine High-priority: Binding assay flunarizine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cyamemazine (Jaccard=0.17) ethylmorphine salivary_gland_cancer GAP_HIGH 0.113 0.16 phenylbutazone High-priority: Binding assay ethylmorphine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) cyproterone_acetate focal_segmental_glomerulosclerosis GAP_LOW 0.113 0.14285714285714285 bumetanide Low-priority: Computational docking cyproterone_acetate vs focal_segmental_glomerulosclerosis targets. Cross-check cyproterone_acetate pharmacophore against focal_segmental_glomerulosclerosis pathway. hydromorphone duodenum_cancer GAP_LOW 0.113 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs duodenum_cancer targets. Cross-check hydromorphone pharmacophore against duodenum_cancer pathway. hydromorphone gallbladder_cancer GAP_LOW 0.113 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs gallbladder_cancer targets. Cross-check hydromorphone pharmacophore against gallbladder_cancer pathway. norelgestromin autistic_disorder GAP_LOW 0.113 0.14285714285714285 dextromethorphan Low-priority: Computational docking norelgestromin vs autistic_disorder targets. Cross-check norelgestromin pharmacophore against autistic_disorder pathway. norelgestromin parkinsons_disease GAP_LOW 0.113 0.14285714285714285 dextromethorphan Low-priority: Computational docking norelgestromin vs parkinsons_disease targets. Cross-check norelgestromin pharmacophore against parkinsons_disease pathway. sulfamethizole chronic_kidney_failure GAP_LOW 0.113 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs chronic_kidney_failure targets. Cross-check sulfamethizole pharmacophore against chronic_kidney_failure pathway. chlorpropamide prostate_cancer GAP_LOW 0.113 0.10714285714285714 procaine Low-priority: Computational docking chlorpropamide vs prostate_cancer targets. Cross-check chlorpropamide pharmacophore against prostate_cancer pathway. clotiazepam prostate_cancer GAP_LOW 0.113 0.10256410256410256 mazindol Low-priority: Computational docking clotiazepam vs prostate_cancer targets. Cross-check clotiazepam pharmacophore against prostate_cancer pathway. theophylline panic_disorder GAP_LOW 0.113 0.1 nitrazepam Low-priority: Computational docking theophylline vs panic_disorder targets. Cross-check theophylline pharmacophore against panic_disorder pathway. theophylline schizophrenia GAP_LOW 0.113 0.1 nitrazepam Low-priority: Computational docking theophylline vs schizophrenia targets. Cross-check theophylline pharmacophore against schizophrenia pathway. vismodegib gestational_diabetes GAP_LOW 0.113 0.09523809523809523 zafirlukast Low-priority: Computational docking vismodegib vs gestational_diabetes targets. Cross-check vismodegib pharmacophore against gestational_diabetes pathway. naloxone gilles_de_la_tourette_syndrome GAP_LOW 0.113 0.09090909090909091 midazolam Low-priority: Computational docking naloxone vs gilles_de_la_tourette_syndrome targets. Cross-check naloxone pharmacophore against gilles_de_la_tourette_syndrome pathway. telbivudine ankylosing_spondylitis GAP_LOW 0.113 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking telbivudine vs ankylosing_spondylitis targets. Cross-check telbivudine pharmacophore against ankylosing_spondylitis pathway. nitrazepam gestational_diabetes GAP_LOW 0.113 0.07692307692307693 glisoxepide Low-priority: Computational docking nitrazepam vs gestational_diabetes targets. Cross-check nitrazepam pharmacophore against gestational_diabetes pathway. felypressin hematologic_cancer GAP_LOW 0.113 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs hematologic_cancer targets. Cross-check felypressin pharmacophore against hematologic_cancer pathway. felypressin narcolepsy GAP_LOW 0.113 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs narcolepsy targets. Cross-check felypressin pharmacophore against narcolepsy pathway. terlipressin hematologic_cancer GAP_LOW 0.113 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs hematologic_cancer targets. Cross-check terlipressin pharmacophore against hematologic_cancer pathway. terlipressin narcolepsy GAP_LOW 0.113 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs narcolepsy targets. Cross-check terlipressin pharmacophore against narcolepsy pathway. quinacrine primary_biliary_cirrhosis GAP_LOW 0.113 0.05405405405405406 bezafibrate Low-priority: Computational docking quinacrine vs primary_biliary_cirrhosis targets. Cross-check quinacrine pharmacophore against primary_biliary_cirrhosis pathway. l-cysteine esophageal_cancer GAP_LOW 0.113 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs esophageal_cancer targets. Cross-check l-cysteine pharmacophore against esophageal_cancer pathway. conivaptan glaucoma GAP_LOW 0.113 0.0 pirbuterol Low-priority: Computational docking conivaptan vs glaucoma targets. Cross-check conivaptan pharmacophore against glaucoma pathway. eprosartan glaucoma GAP_LOW 0.113 0.0 pirbuterol Low-priority: Computational docking eprosartan vs glaucoma targets. Cross-check eprosartan pharmacophore against glaucoma pathway. thiamylal uterine_cancer GAP_LOW 0.113 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs uterine_cancer targets. Cross-check thiamylal pharmacophore against uterine_cancer pathway. pheniramine ocular_cancer GAP_HIGH 0.1129 0.3333333333333333 modafinil High-priority: Binding assay pheniramine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) carbinoxamine uterine_cancer GAP_HIGH 0.1129 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in uterine_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) desipramine salivary_gland_cancer GAP_HIGH 0.1129 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) ethinyl_estradiol obesity GAP_HIGH 0.1129 0.2857142857142857 hydrocortisone High-priority: Binding assay ethinyl_estradiol→?; validate in obesity cell model. Expected: similar to hydrocortisone (Jaccard=0.29) norethindrone pharynx_cancer GAP_HIGH 0.1129 0.2857142857142857 progesterone High-priority: Binding assay norethindrone→?; validate in pharynx_cancer cell model. Expected: similar to progesterone (Jaccard=0.29) flurbiprofen head_and_neck_cancer GAP_HIGH 0.1129 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.26) flurbiprofen malignant_glioma GAP_HIGH 0.1129 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.26) indecainide ocular_cancer GAP_HIGH 0.1129 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in ocular_cancer cell model. Expected: similar to penbutolol (Jaccard=0.25) propiomazine malignant_mesothelioma GAP_HIGH 0.1129 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in malignant_mesothelioma cell model. Expected: similar to tamoxifen (Jaccard=0.25) cinnarizine lung_cancer GAP_HIGH 0.1129 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) methamphetamine liver_cancer GAP_HIGH 0.1129 0.23076923076923078 mitiglinide High-priority: Binding assay methamphetamine→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.23) cyclopentolate atherosclerosis GAP_HIGH 0.1129 0.2 warfarin High-priority: Binding assay cyclopentolate→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.20) sunitinib esophageal_cancer GAP_HIGH 0.1129 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in esophageal_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) sulfaphenazole testicular_cancer GAP_HIGH 0.1129 0.19047619047619047 droxidopa High-priority: Binding assay sulfaphenazole→?; validate in testicular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) orphenadrine penile_cancer GAP_HIGH 0.1129 0.17647058823529413 phenylbutazone High-priority: Binding assay orphenadrine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) diazepam malaria GAP_HIGH 0.1129 0.17391304347826086 antipyrine High-priority: Binding assay diazepam→?; validate in malaria cell model. Expected: similar to antipyrine (Jaccard=0.17) indapamide salivary_gland_cancer GAP_HIGH 0.1129 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in salivary_gland_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) conjugated_estrogens parkinsons_disease GAP_LOW 0.1129 0.14285714285714285 raloxifene Low-priority: Computational docking conjugated_estrogens vs parkinsons_disease targets. Cross-check conjugated_estrogens pharmacophore against parkinsons_disease pathway. naloxone allergic_rhinitis GAP_LOW 0.1129 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs allergic_rhinitis targets. Cross-check naloxone pharmacophore against allergic_rhinitis pathway. paricalcitol asthma GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs asthma targets. Cross-check paricalcitol pharmacophore against asthma pathway. paricalcitol atopic_dermatitis GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs atopic_dermatitis targets. Cross-check paricalcitol pharmacophore against atopic_dermatitis pathway. paricalcitol breast_cancer GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs breast_cancer targets. Cross-check paricalcitol pharmacophore against breast_cancer pathway. paricalcitol colon_cancer GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs colon_cancer targets. Cross-check paricalcitol pharmacophore against colon_cancer pathway. paricalcitol conduct_disorder GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs conduct_disorder targets. Cross-check paricalcitol pharmacophore against conduct_disorder pathway. paricalcitol panic_disorder GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs panic_disorder targets. Cross-check paricalcitol pharmacophore against panic_disorder pathway. paricalcitol schizophrenia GAP_LOW 0.1129 0.125 pimozide Low-priority: Computational docking paricalcitol vs schizophrenia targets. Cross-check paricalcitol pharmacophore against schizophrenia pathway. cinnarizine gestational_diabetes GAP_LOW 0.1129 0.1 tolbutamide Low-priority: Computational docking cinnarizine vs gestational_diabetes targets. Cross-check cinnarizine pharmacophore against gestational_diabetes pathway. theophylline breast_cancer GAP_LOW 0.1129 0.1 nitrazepam Low-priority: Computational docking theophylline vs breast_cancer targets. Cross-check theophylline pharmacophore against breast_cancer pathway. theophylline conduct_disorder GAP_LOW 0.1129 0.1 nitrazepam Low-priority: Computational docking theophylline vs conduct_disorder targets. Cross-check theophylline pharmacophore against conduct_disorder pathway. theophylline hypertension GAP_LOW 0.1129 0.1 nitrazepam Low-priority: Computational docking theophylline vs hypertension targets. Cross-check theophylline pharmacophore against hypertension pathway. ponatinib brain_cancer GAP_LOW 0.1129 0.08571428571428572 doxorubicin Low-priority: Computational docking ponatinib vs brain_cancer targets. Cross-check ponatinib pharmacophore against brain_cancer pathway. ponatinib intracranial_aneurysm GAP_LOW 0.1129 0.08571428571428572 doxorubicin Low-priority: Computational docking ponatinib vs intracranial_aneurysm targets. Cross-check ponatinib pharmacophore against intracranial_aneurysm pathway. ephedrine head_and_neck_cancer GAP_LOW 0.1129 0.08333333333333333 fludrocortisone Low-priority: Computational docking ephedrine vs head_and_neck_cancer targets. Cross-check ephedrine pharmacophore against head_and_neck_cancer pathway. desmopressin focal_segmental_glomerulosclerosis GAP_LOW 0.1129 0.07142857142857142 ergocalciferol Low-priority: Computational docking desmopressin vs focal_segmental_glomerulosclerosis targets. Cross-check desmopressin pharmacophore against focal_segmental_glomerulosclerosis pathway. practolol acquired_immunodeficiency_syndrome GAP_LOW 0.1129 0.07142857142857142 mitiglinide Low-priority: Computational docking practolol vs acquired_immunodeficiency_syndrome targets. Cross-check practolol pharmacophore against acquired_immunodeficiency_syndrome pathway. bimatoprost gout GAP_LOW 0.1129 0.06666666666666667 suprofen Low-priority: Computational docking bimatoprost vs gout targets. Cross-check bimatoprost pharmacophore against gout pathway. latanoprost membranous_glomerulonephritis GAP_LOW 0.1129 0.0625 floctafenine Low-priority: Computational docking latanoprost vs membranous_glomerulonephritis targets. Cross-check latanoprost pharmacophore against membranous_glomerulonephritis pathway. codeine atherosclerosis GAP_LOW 0.1129 0.05 phentermine Low-priority: Computational docking codeine vs atherosclerosis targets. Cross-check codeine pharmacophore against atherosclerosis pathway. s-adenosylmethionine leprosy GAP_LOW 0.1129 0.014492753623188406 sulfapyridine Low-priority: Computational docking s-adenosylmethionine vs leprosy targets. Cross-check s-adenosylmethionine pharmacophore against leprosy pathway. codeine bone_cancer GAP_LOW 0.1129 0.0 ibandronate Low-priority: Computational docking codeine vs bone_cancer targets. Cross-check codeine pharmacophore against bone_cancer pathway. codeine gestational_diabetes GAP_LOW 0.1129 0.0 tolazamide Low-priority: Computational docking codeine vs gestational_diabetes targets. Cross-check codeine pharmacophore against gestational_diabetes pathway. cytarabine bone_cancer GAP_LOW 0.1129 0.0 ibandronate Low-priority: Computational docking cytarabine vs bone_cancer targets. Cross-check cytarabine pharmacophore against bone_cancer pathway. cytarabine gestational_diabetes GAP_LOW 0.1129 0.0 tolazamide Low-priority: Computational docking cytarabine vs gestational_diabetes targets. Cross-check cytarabine pharmacophore against gestational_diabetes pathway. mannitol membranous_glomerulonephritis GAP_LOW 0.1129 0.0 methdilazine Low-priority: Computational docking mannitol vs membranous_glomerulonephritis targets. Cross-check mannitol pharmacophore against membranous_glomerulonephritis pathway. pravastatin membranous_glomerulonephritis GAP_LOW 0.1129 0.0 methdilazine Low-priority: Computational docking pravastatin vs membranous_glomerulonephritis targets. Cross-check pravastatin pharmacophore against membranous_glomerulonephritis pathway. vorinostat gestational_diabetes GAP_LOW 0.1129 0.0 tolazamide Low-priority: Computational docking vorinostat vs gestational_diabetes targets. Cross-check vorinostat pharmacophore against gestational_diabetes pathway. zafirlukast bone_cancer GAP_LOW 0.1129 0.0 ibandronate Low-priority: Computational docking zafirlukast vs bone_cancer targets. Cross-check zafirlukast pharmacophore against bone_cancer pathway. desipramine muscle_cancer GAP_HIGH 0.1128 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in muscle_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) prochlorperazine gout GAP_HIGH 0.1128 0.25 mianserin High-priority: Binding assay prochlorperazine→?; validate in gout cell model. Expected: similar to mianserin (Jaccard=0.25) reboxetine malaria GAP_HIGH 0.1128 0.23076923076923078 warfarin High-priority: Binding assay reboxetine→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.23) arbutamine chronic_kidney_failure GAP_HIGH 0.1128 0.16666666666666666 benzthiazide High-priority: Binding assay arbutamine→?; validate in chronic_kidney_failure cell model. Expected: similar to benzthiazide (Jaccard=0.17) mitiglinide atherosclerosis GAP_HIGH 0.1128 0.16666666666666666 clofibrate High-priority: Binding assay mitiglinide→?; validate in atherosclerosis cell model. Expected: similar to clofibrate (Jaccard=0.17) pamidronate celiac_disease GAP_HIGH 0.1128 0.15384615384615385 etoricoxib High-priority: Binding assay pamidronate→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.15) alvimopan malaria GAP_LOW 0.1128 0.14285714285714285 warfarin Low-priority: Computational docking alvimopan vs malaria targets. Cross-check alvimopan pharmacophore against malaria pathway. conjugated_estrogens amyotrophic_lateral_sclerosis GAP_LOW 0.1128 0.14285714285714285 raloxifene Low-priority: Computational docking conjugated_estrogens vs amyotrophic_lateral_sclerosis targets. Cross-check conjugated_estrogens pharmacophore against amyotrophic_lateral_sclerosis pathway. imipramine brain_cancer GAP_LOW 0.1128 0.14285714285714285 histamine_phosphate Low-priority: Computational docking imipramine vs brain_cancer targets. Cross-check imipramine pharmacophore against brain_cancer pathway. tretinoin breast_cancer GAP_LOW 0.1128 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs breast_cancer targets. Cross-check tretinoin pharmacophore against breast_cancer pathway. zafirlukast testicular_cancer GAP_LOW 0.1128 0.13333333333333333 pasireotide Low-priority: Computational docking zafirlukast vs testicular_cancer targets. Cross-check zafirlukast pharmacophore against testicular_cancer pathway. dapsone chronic_obstructive_pulmonary_disease GAP_LOW 0.1128 0.125 nateglinide Low-priority: Computational docking dapsone vs chronic_obstructive_pulmonary_disease targets. Cross-check dapsone pharmacophore against chronic_obstructive_pulmonary_disease pathway. menadione dilated_cardiomyopathy GAP_LOW 0.1128 0.125 milrinone Low-priority: Computational docking menadione vs dilated_cardiomyopathy targets. Cross-check menadione pharmacophore against dilated_cardiomyopathy pathway. paricalcitol allergic_rhinitis GAP_LOW 0.1128 0.125 pimozide Low-priority: Computational docking paricalcitol vs allergic_rhinitis targets. Cross-check paricalcitol pharmacophore against allergic_rhinitis pathway. paricalcitol primary_biliary_cirrhosis GAP_LOW 0.1128 0.1111111111111111 tauroursodeoxycholic_acid Low-priority: Computational docking paricalcitol vs primary_biliary_cirrhosis targets. Cross-check paricalcitol pharmacophore against primary_biliary_cirrhosis pathway. theophylline allergic_rhinitis GAP_LOW 0.1128 0.1 nitrazepam Low-priority: Computational docking theophylline vs allergic_rhinitis targets. Cross-check theophylline pharmacophore against allergic_rhinitis pathway. theophylline bipolar_disorder GAP_LOW 0.1128 0.1 nitrazepam Low-priority: Computational docking theophylline vs bipolar_disorder targets. Cross-check theophylline pharmacophore against bipolar_disorder pathway. tolbutamide asthma GAP_LOW 0.1128 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs asthma targets. Cross-check tolbutamide pharmacophore against asthma pathway. tolbutamide conduct_disorder GAP_LOW 0.1128 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs conduct_disorder targets. Cross-check tolbutamide pharmacophore against conduct_disorder pathway. tolbutamide panic_disorder GAP_LOW 0.1128 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs panic_disorder targets. Cross-check tolbutamide pharmacophore against panic_disorder pathway. zafirlukast glaucoma GAP_LOW 0.1128 0.08695652173913043 sotalol Low-priority: Computational docking zafirlukast vs glaucoma targets. Cross-check zafirlukast pharmacophore against glaucoma pathway. tolbutamide meningioma GAP_LOW 0.1128 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs meningioma targets. Cross-check tolbutamide pharmacophore against meningioma pathway. dienestrol lymphatic_system_cancer GAP_LOW 0.1128 0.07692307692307693 tetrahydrofolic_acid Low-priority: Computational docking dienestrol vs lymphatic_system_cancer targets. Cross-check dienestrol pharmacophore against lymphatic_system_cancer pathway. indomethacin esophageal_cancer GAP_LOW 0.1128 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs esophageal_cancer targets. Cross-check indomethacin pharmacophore against esophageal_cancer pathway. tolbutamide membranous_glomerulonephritis GAP_LOW 0.1128 0.07692307692307693 floctafenine Low-priority: Computational docking tolbutamide vs membranous_glomerulonephritis targets. Cross-check tolbutamide pharmacophore against membranous_glomerulonephritis pathway. latanoprost hematologic_cancer GAP_LOW 0.1128 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking latanoprost vs hematologic_cancer targets. Cross-check latanoprost pharmacophore against hematologic_cancer pathway. dopamine hepatitis_b GAP_LOW 0.1128 0.05263157894736842 ribavirin Low-priority: Computational docking dopamine vs hepatitis_b targets. Cross-check dopamine pharmacophore against hepatitis_b pathway. isoetarine acquired_immunodeficiency_syndrome GAP_LOW 0.1128 0.041666666666666664 vidarabine Low-priority: Computational docking isoetarine vs acquired_immunodeficiency_syndrome targets. Cross-check isoetarine pharmacophore against acquired_immunodeficiency_syndrome pathway. sotalol leprosy GAP_LOW 0.1128 0.03125 sulfapyridine Low-priority: Computational docking sotalol vs leprosy targets. Cross-check sotalol pharmacophore against leprosy pathway. aceprometazine pagets_disease_of_bone GAP_LOW 0.1128 0.0 ibandronate Low-priority: Computational docking aceprometazine vs pagets_disease_of_bone targets. Cross-check aceprometazine pharmacophore against pagets_disease_of_bone pathway. brompheniramine pagets_disease_of_bone GAP_LOW 0.1128 0.0 ibandronate Low-priority: Computational docking brompheniramine vs pagets_disease_of_bone targets. Cross-check brompheniramine pharmacophore against pagets_disease_of_bone pathway. felypressin dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking felypressin vs dilated_cardiomyopathy targets. Cross-check felypressin pharmacophore against dilated_cardiomyopathy pathway. halazepam dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking halazepam vs dilated_cardiomyopathy targets. Cross-check halazepam pharmacophore against dilated_cardiomyopathy pathway. indomethacin dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking indomethacin vs dilated_cardiomyopathy targets. Cross-check indomethacin pharmacophore against dilated_cardiomyopathy pathway. oxyphenonium dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking oxyphenonium vs dilated_cardiomyopathy targets. Cross-check oxyphenonium pharmacophore against dilated_cardiomyopathy pathway. pasireotide dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking pasireotide vs dilated_cardiomyopathy targets. Cross-check pasireotide pharmacophore against dilated_cardiomyopathy pathway. treprostinil dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking treprostinil vs dilated_cardiomyopathy targets. Cross-check treprostinil pharmacophore against dilated_cardiomyopathy pathway. trifluridine dilated_cardiomyopathy GAP_LOW 0.1128 0.0 hydrocortisone Low-priority: Computational docking trifluridine vs dilated_cardiomyopathy targets. Cross-check trifluridine pharmacophore against dilated_cardiomyopathy pathway. voacamine pagets_disease_of_bone GAP_LOW 0.1128 0.0 ibandronate Low-priority: Computational docking voacamine vs pagets_disease_of_bone targets. Cross-check voacamine pharmacophore against pagets_disease_of_bone pathway. propranolol vaginal_cancer GAP_HIGH 0.1127 0.3181818181818182 tamsulosin High-priority: Binding assay propranolol→?; validate in vaginal_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.32) mazindol sclerosing_cholangitis GAP_HIGH 0.1127 0.30952380952380953 chlordiazepoxide High-priority: Binding assay mazindol→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.31) pseudoephedrine refractive_error GAP_HIGH 0.1127 0.3 epinephrine High-priority: Binding assay pseudoephedrine→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.30) salsalate idiopathic_pulmonary_fibrosis GAP_HIGH 0.1127 0.3 tiaprofenic_acid High-priority: Binding assay salsalate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.30) clotrimazole meningioma GAP_HIGH 0.1127 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.28) phenelzine celiac_disease GAP_HIGH 0.1127 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.23) aprindine hematologic_cancer GAP_HIGH 0.1127 0.2222222222222222 aspartame High-priority: Binding assay aprindine→?; validate in hematologic_cancer cell model. Expected: similar to aspartame (Jaccard=0.22) amoxapine thyroid_cancer GAP_HIGH 0.1127 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) oxybuprocaine alzheimers_disease GAP_HIGH 0.1127 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in alzheimers_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine parkinsons_disease GAP_HIGH 0.1127 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in parkinsons_disease cell model. Expected: similar to phenmetrazine (Jaccard=0.21) aprindine celiac_disease GAP_HIGH 0.1127 0.2 reboxetine High-priority: Binding assay aprindine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.20) epirubicin alzheimers_disease GAP_HIGH 0.1127 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in alzheimers_disease cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin parkinsons_disease GAP_HIGH 0.1127 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in parkinsons_disease cell model. Expected: similar to amsacrine (Jaccard=0.20) podofilox coronary_artery_disease GAP_HIGH 0.1127 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in coronary_artery_disease cell model. Expected: similar to thioridazine (Jaccard=0.20) teniposide colon_cancer GAP_HIGH 0.1127 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in colon_cancer cell model. Expected: similar to epirubicin (Jaccard=0.20) naproxen focal_segmental_glomerulosclerosis GAP_HIGH 0.1127 0.1951219512195122 fenoprofen High-priority: Binding assay naproxen→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.20) chlorphenesin pharynx_cancer GAP_HIGH 0.1127 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in pharynx_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) indapamide ocular_cancer GAP_HIGH 0.1127 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in ocular_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) ethylmorphine ocular_cancer GAP_HIGH 0.1127 0.16 phenylbutazone High-priority: Binding assay ethylmorphine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) levomilnacipran salivary_gland_cancer GAP_HIGH 0.1127 0.15384615384615385 lacosamide High-priority: Binding assay levomilnacipran→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) cladribine germ_cell_cancer GAP_LOW 0.1127 0.14285714285714285 gemcitabine Low-priority: Computational docking cladribine vs germ_cell_cancer targets. Cross-check cladribine pharmacophore against germ_cell_cancer pathway. naloxone migraine GAP_LOW 0.1127 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs migraine targets. Cross-check naloxone pharmacophore against migraine pathway. naloxone multiple_sclerosis GAP_LOW 0.1127 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs multiple_sclerosis targets. Cross-check naloxone pharmacophore against multiple_sclerosis pathway. norelgestromin attention_deficit_hyperactivity_disorder GAP_LOW 0.1127 0.14285714285714285 dextromethorphan Low-priority: Computational docking norelgestromin vs attention_deficit_hyperactivity_disorder targets. Cross-check norelgestromin pharmacophore against attention_deficit_hyperactivity_disorder pathway. telmisartan pharynx_cancer GAP_LOW 0.1127 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs pharynx_cancer targets. Cross-check telmisartan pharmacophore against pharynx_cancer pathway. levonorgestrel focal_segmental_glomerulosclerosis GAP_LOW 0.1127 0.125 bumetanide Low-priority: Computational docking levonorgestrel vs focal_segmental_glomerulosclerosis targets. Cross-check levonorgestrel pharmacophore against focal_segmental_glomerulosclerosis pathway. paricalcitol bipolar_disorder GAP_LOW 0.1127 0.125 pimozide Low-priority: Computational docking paricalcitol vs bipolar_disorder targets. Cross-check paricalcitol pharmacophore against bipolar_disorder pathway. paricalcitol endogenous_depression GAP_LOW 0.1127 0.125 pimozide Low-priority: Computational docking paricalcitol vs endogenous_depression targets. Cross-check paricalcitol pharmacophore against endogenous_depression pathway. nilotinib idiopathic_pulmonary_fibrosis GAP_LOW 0.1127 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs idiopathic_pulmonary_fibrosis targets. Cross-check nilotinib pharmacophore against idiopathic_pulmonary_fibrosis pathway. theophylline endogenous_depression GAP_LOW 0.1127 0.1 nitrazepam Low-priority: Computational docking theophylline vs endogenous_depression targets. Cross-check theophylline pharmacophore against endogenous_depression pathway. tolbutamide allergic_rhinitis GAP_LOW 0.1127 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs allergic_rhinitis targets. Cross-check tolbutamide pharmacophore against allergic_rhinitis pathway. tolbutamide atopic_dermatitis GAP_LOW 0.1127 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs atopic_dermatitis targets. Cross-check tolbutamide pharmacophore against atopic_dermatitis pathway. tolbutamide breast_cancer GAP_LOW 0.1127 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs breast_cancer targets. Cross-check tolbutamide pharmacophore against breast_cancer pathway. tolbutamide colon_cancer GAP_LOW 0.1127 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs colon_cancer targets. Cross-check tolbutamide pharmacophore against colon_cancer pathway. nabumetone epilepsy_syndrome GAP_LOW 0.1127 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs epilepsy_syndrome targets. Cross-check nabumetone pharmacophore against epilepsy_syndrome pathway. tolbutamide duodenum_cancer GAP_LOW 0.1127 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs duodenum_cancer targets. Cross-check tolbutamide pharmacophore against duodenum_cancer pathway. tolbutamide gallbladder_cancer GAP_LOW 0.1127 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs gallbladder_cancer targets. Cross-check tolbutamide pharmacophore against gallbladder_cancer pathway. bimatoprost coronary_artery_disease GAP_LOW 0.1127 0.06666666666666667 suprofen Low-priority: Computational docking bimatoprost vs coronary_artery_disease targets. Cross-check bimatoprost pharmacophore against coronary_artery_disease pathway. bimatoprost narcolepsy GAP_LOW 0.1127 0.06666666666666667 suprofen Low-priority: Computational docking bimatoprost vs narcolepsy targets. Cross-check bimatoprost pharmacophore against narcolepsy pathway. l-asparagine penile_cancer GAP_LOW 0.1127 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs penile_cancer targets. Cross-check l-asparagine pharmacophore against penile_cancer pathway. amlodipine brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs brain_cancer targets. Cross-check amlodipine pharmacophore against brain_cancer pathway. amlodipine intracranial_aneurysm GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs intracranial_aneurysm targets. Cross-check amlodipine pharmacophore against intracranial_aneurysm pathway. amodiaquine brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs brain_cancer targets. Cross-check amodiaquine pharmacophore against brain_cancer pathway. amodiaquine intracranial_aneurysm GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs intracranial_aneurysm targets. Cross-check amodiaquine pharmacophore against intracranial_aneurysm pathway. conivaptan brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs brain_cancer targets. Cross-check conivaptan pharmacophore against brain_cancer pathway. conivaptan intracranial_aneurysm GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs intracranial_aneurysm targets. Cross-check conivaptan pharmacophore against intracranial_aneurysm pathway. eprosartan brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs brain_cancer targets. Cross-check eprosartan pharmacophore against brain_cancer pathway. eprosartan intracranial_aneurysm GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs intracranial_aneurysm targets. Cross-check eprosartan pharmacophore against intracranial_aneurysm pathway. gliquidone brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking gliquidone vs brain_cancer targets. Cross-check gliquidone pharmacophore against brain_cancer pathway. glisoxepide brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking glisoxepide vs brain_cancer targets. Cross-check glisoxepide pharmacophore against brain_cancer pathway. sulpiride brain_cancer GAP_LOW 0.1127 0.0 hydrocortisone Low-priority: Computational docking sulpiride vs brain_cancer targets. Cross-check sulpiride pharmacophore against brain_cancer pathway. propranolol vascular_cancer GAP_HIGH 0.1126 0.3181818181818182 tamsulosin High-priority: Binding assay propranolol→?; validate in vascular_cancer cell model. Expected: similar to tamsulosin (Jaccard=0.32) perphenazine urinary_bladder_cancer GAP_HIGH 0.1126 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) methyldopa autistic_disorder GAP_HIGH 0.1126 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) methyldopa nicotine_dependence GAP_HIGH 0.1126 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) desipramine ocular_cancer GAP_HIGH 0.1126 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.29) diazepam melanoma GAP_HIGH 0.1126 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) indecainide peripheral_nervous_system_neoplasm GAP_HIGH 0.1126 0.25 penbutolol High-priority: Binding assay indecainide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to penbutolol (Jaccard=0.25) cinnarizine urinary_bladder_cancer GAP_HIGH 0.1126 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in urinary_bladder_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) oxybuprocaine autistic_disorder GAP_HIGH 0.1126 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in autistic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine nicotine_dependence GAP_HIGH 0.1126 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in nicotine_dependence cell model. Expected: similar to phenmetrazine (Jaccard=0.21) epirubicin autistic_disorder GAP_HIGH 0.1126 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in autistic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin nicotine_dependence GAP_HIGH 0.1126 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in nicotine_dependence cell model. Expected: similar to amsacrine (Jaccard=0.20) podofilox narcolepsy GAP_HIGH 0.1126 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in narcolepsy cell model. Expected: similar to thioridazine (Jaccard=0.20) trifluoperazine bone_cancer GAP_HIGH 0.1126 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in bone_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) crizotinib head_and_neck_cancer GAP_HIGH 0.1126 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) crizotinib malignant_glioma GAP_HIGH 0.1126 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.18) doxorubicin lymphatic_system_cancer GAP_HIGH 0.1126 0.1724137931034483 glucosamine High-priority: Binding assay doxorubicin→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.17) ethylmorphine vulva_cancer GAP_HIGH 0.1126 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) diclofenac gilles_de_la_tourette_syndrome GAP_HIGH 0.1126 0.16 loxapine High-priority: Binding assay diclofenac→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to loxapine (Jaccard=0.16) bepotastine gout GAP_HIGH 0.1126 0.15384615384615385 pirenzepine High-priority: Binding assay bepotastine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.15) allylestrenol epilepsy_syndrome GAP_LOW 0.1126 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs epilepsy_syndrome targets. Cross-check allylestrenol pharmacophore against epilepsy_syndrome pathway. l-phenylalanine refractive_error GAP_LOW 0.1126 0.14285714285714285 phenylpropanolamine Low-priority: Computational docking l-phenylalanine vs refractive_error targets. Cross-check l-phenylalanine pharmacophore against refractive_error pathway. tretinoin pancreatic_cancer GAP_LOW 0.1126 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs pancreatic_cancer targets. Cross-check tretinoin pharmacophore against pancreatic_cancer pathway. tretinoin ulcerative_colitis GAP_LOW 0.1126 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs ulcerative_colitis targets. Cross-check tretinoin pharmacophore against ulcerative_colitis pathway. dasatinib nicotine_dependence GAP_LOW 0.1126 0.13333333333333333 l-arginine Low-priority: Computational docking dasatinib vs nicotine_dependence targets. Cross-check dasatinib pharmacophore against nicotine_dependence pathway. calcitriol osteoarthritis GAP_LOW 0.1126 0.125 loteprednol Low-priority: Computational docking calcitriol vs osteoarthritis targets. Cross-check calcitriol pharmacophore against osteoarthritis pathway. paricalcitol ovarian_cancer GAP_LOW 0.1126 0.125 pimozide Low-priority: Computational docking paricalcitol vs ovarian_cancer targets. Cross-check paricalcitol pharmacophore against ovarian_cancer pathway. cladribine larynx_cancer GAP_LOW 0.1126 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs larynx_cancer targets. Cross-check cladribine pharmacophore against larynx_cancer pathway. ergocalciferol azoospermia GAP_LOW 0.1126 0.1 salicylate-sodium Low-priority: Computational docking ergocalciferol vs azoospermia targets. Cross-check ergocalciferol pharmacophore against azoospermia pathway. naloxone chronic_kidney_failure GAP_LOW 0.1126 0.1 cinolazepam Low-priority: Computational docking naloxone vs chronic_kidney_failure targets. Cross-check naloxone pharmacophore against chronic_kidney_failure pathway. theophylline osteoporosis GAP_LOW 0.1126 0.1 nitrazepam Low-priority: Computational docking theophylline vs osteoporosis targets. Cross-check theophylline pharmacophore against osteoporosis pathway. methyclothiazide gilles_de_la_tourette_syndrome GAP_LOW 0.1126 0.0975609756097561 mazindol Low-priority: Computational docking methyclothiazide vs gilles_de_la_tourette_syndrome targets. Cross-check methyclothiazide pharmacophore against gilles_de_la_tourette_syndrome pathway. sulfanilamide gilles_de_la_tourette_syndrome GAP_LOW 0.1126 0.0967741935483871 modafinil Low-priority: Computational docking sulfanilamide vs gilles_de_la_tourette_syndrome targets. Cross-check sulfanilamide pharmacophore against gilles_de_la_tourette_syndrome pathway. dihydrotachysterol type_1_diabetes_mellitus GAP_LOW 0.1126 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs type_1_diabetes_mellitus targets. Cross-check dihydrotachysterol pharmacophore against type_1_diabetes_mellitus pathway. midodrine duodenum_cancer GAP_LOW 0.1126 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs duodenum_cancer targets. Cross-check midodrine pharmacophore against duodenum_cancer pathway. midodrine gallbladder_cancer GAP_LOW 0.1126 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs gallbladder_cancer targets. Cross-check midodrine pharmacophore against gallbladder_cancer pathway. danazol acquired_immunodeficiency_syndrome GAP_LOW 0.1126 0.07142857142857142 lisinopril Low-priority: Computational docking danazol vs acquired_immunodeficiency_syndrome targets. Cross-check danazol pharmacophore against acquired_immunodeficiency_syndrome pathway. treprostinil rectum_cancer GAP_LOW 0.1126 0.07142857142857142 l-dopa Low-priority: Computational docking treprostinil vs rectum_cancer targets. Cross-check treprostinil pharmacophore against rectum_cancer pathway. dyphylline germ_cell_cancer GAP_LOW 0.1126 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs germ_cell_cancer targets. Cross-check dyphylline pharmacophore against germ_cell_cancer pathway. l-aspartic_acid lung_cancer GAP_LOW 0.1126 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs lung_cancer targets. Cross-check l-aspartic_acid pharmacophore against lung_cancer pathway. l-aspartic_acid rectum_cancer GAP_LOW 0.1126 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs rectum_cancer targets. Cross-check l-aspartic_acid pharmacophore against rectum_cancer pathway. trifluridine celiac_disease GAP_LOW 0.1126 0.05263157894736842 sorafenib Low-priority: Computational docking trifluridine vs celiac_disease targets. Cross-check trifluridine pharmacophore against celiac_disease pathway. l-methionine membranous_glomerulonephritis GAP_LOW 0.1126 0.043478260869565216 calcium_acetate Low-priority: Computational docking l-methionine vs membranous_glomerulonephritis targets. Cross-check l-methionine pharmacophore against membranous_glomerulonephritis pathway. candesartan germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking candesartan vs germ_cell_cancer targets. Cross-check candesartan pharmacophore against germ_cell_cancer pathway. choline acquired_immunodeficiency_syndrome GAP_LOW 0.1126 0.0 mitiglinide Low-priority: Computational docking choline vs acquired_immunodeficiency_syndrome targets. Cross-check choline pharmacophore against acquired_immunodeficiency_syndrome pathway. levomilnacipran leprosy GAP_LOW 0.1126 0.0 sulfapyridine Low-priority: Computational docking levomilnacipran vs leprosy targets. Cross-check levomilnacipran pharmacophore against leprosy pathway. loratadine acquired_immunodeficiency_syndrome GAP_LOW 0.1126 0.0 mitiglinide Low-priority: Computational docking loratadine vs acquired_immunodeficiency_syndrome targets. Cross-check loratadine pharmacophore against acquired_immunodeficiency_syndrome pathway. mannitol germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking mannitol vs germ_cell_cancer targets. Cross-check mannitol pharmacophore against germ_cell_cancer pathway. metaraminol leprosy GAP_LOW 0.1126 0.0 sulfapyridine Low-priority: Computational docking metaraminol vs leprosy targets. Cross-check metaraminol pharmacophore against leprosy pathway. milnacipran leprosy GAP_LOW 0.1126 0.0 sulfapyridine Low-priority: Computational docking milnacipran vs leprosy targets. Cross-check milnacipran pharmacophore against leprosy pathway. nicardipine germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs germ_cell_cancer targets. Cross-check nicardipine pharmacophore against germ_cell_cancer pathway. nilvadipine germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs germ_cell_cancer targets. Cross-check nilvadipine pharmacophore against germ_cell_cancer pathway. pravastatin germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs germ_cell_cancer targets. Cross-check pravastatin pharmacophore against germ_cell_cancer pathway. tauroursodeoxycholic_acid germ_cell_cancer GAP_LOW 0.1126 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs germ_cell_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against germ_cell_cancer pathway. trilostane leprosy GAP_LOW 0.1126 0.0 sulfapyridine Low-priority: Computational docking trilostane vs leprosy targets. Cross-check trilostane pharmacophore against leprosy pathway. zidovudine leprosy GAP_LOW 0.1126 0.0 sulfapyridine Low-priority: Computational docking zidovudine vs leprosy targets. Cross-check zidovudine pharmacophore against leprosy pathway. flurbiprofen sarcoma GAP_HIGH 0.1125 0.3103448275862069 melphalan High-priority: Binding assay flurbiprofen→?; validate in sarcoma cell model. Expected: similar to melphalan (Jaccard=0.31) mequitazine gout GAP_HIGH 0.1125 0.2857142857142857 nortriptyline High-priority: Binding assay mequitazine→?; validate in gout cell model. Expected: similar to nortriptyline (Jaccard=0.29) bezafibrate kidney_cancer GAP_HIGH 0.1125 0.2692307692307692 gliclazide High-priority: Binding assay bezafibrate→?; validate in kidney_cancer cell model. Expected: similar to gliclazide (Jaccard=0.27) chlordiazepoxide malignant_mesothelioma GAP_HIGH 0.1125 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) carbidopa penile_cancer GAP_HIGH 0.1125 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.26) acetylsalicylic_acid esophageal_cancer GAP_HIGH 0.1125 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in esophageal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) ketoprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1125 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.22) crizotinib gout GAP_HIGH 0.1125 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in gout cell model. Expected: similar to sorafenib (Jaccard=0.20) fosphenytoin atherosclerosis GAP_HIGH 0.1125 0.17142857142857143 flurbiprofen High-priority: Binding assay fosphenytoin→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.17) imipramine prostate_cancer GAP_HIGH 0.1125 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in prostate_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) pimozide penile_cancer GAP_HIGH 0.1125 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) phenformin germ_cell_cancer GAP_HIGH 0.1125 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in germ_cell_cancer cell model. Expected: similar to melphalan (Jaccard=0.15) tretinoin ovarian_cancer GAP_LOW 0.1125 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs ovarian_cancer targets. Cross-check tretinoin pharmacophore against ovarian_cancer pathway. paricalcitol migraine GAP_LOW 0.1125 0.125 zolpidem Low-priority: Computational docking paricalcitol vs migraine targets. Cross-check paricalcitol pharmacophore against migraine pathway. pralatrexate coronary_artery_disease GAP_LOW 0.1125 0.125 olsalazine Low-priority: Computational docking pralatrexate vs coronary_artery_disease targets. Cross-check pralatrexate pharmacophore against coronary_artery_disease pathway. fludiazepam bone_cancer GAP_LOW 0.1125 0.10526315789473684 alendronate Low-priority: Computational docking fludiazepam vs bone_cancer targets. Cross-check fludiazepam pharmacophore against bone_cancer pathway. sulfanilamide brain_cancer GAP_LOW 0.1125 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs brain_cancer targets. Cross-check sulfanilamide pharmacophore against brain_cancer pathway. sulfanilamide intracranial_aneurysm GAP_LOW 0.1125 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs intracranial_aneurysm targets. Cross-check sulfanilamide pharmacophore against intracranial_aneurysm pathway. tolbutamide endogenous_depression GAP_LOW 0.1125 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs endogenous_depression targets. Cross-check tolbutamide pharmacophore against endogenous_depression pathway. calcitriol celiac_disease GAP_LOW 0.1125 0.09090909090909091 salicylate-sodium Low-priority: Computational docking calcitriol vs celiac_disease targets. Cross-check calcitriol pharmacophore against celiac_disease pathway. isoetarine gilles_de_la_tourette_syndrome GAP_LOW 0.1125 0.09090909090909091 tolterodine Low-priority: Computational docking isoetarine vs gilles_de_la_tourette_syndrome targets. Cross-check isoetarine pharmacophore against gilles_de_la_tourette_syndrome pathway. nabumetone idiopathic_pulmonary_fibrosis GAP_LOW 0.1125 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs idiopathic_pulmonary_fibrosis targets. Cross-check nabumetone pharmacophore against idiopathic_pulmonary_fibrosis pathway. midodrine idiopathic_pulmonary_fibrosis GAP_LOW 0.1125 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs idiopathic_pulmonary_fibrosis targets. Cross-check midodrine pharmacophore against idiopathic_pulmonary_fibrosis pathway. terlipressin esophageal_cancer GAP_LOW 0.1125 0.043478260869565216 prednisone Low-priority: Computational docking terlipressin vs esophageal_cancer targets. Cross-check terlipressin pharmacophore against esophageal_cancer pathway. bimatoprost hepatitis_b GAP_LOW 0.1125 0.03773584905660377 s-adenosylmethionine Low-priority: Computational docking bimatoprost vs hepatitis_b targets. Cross-check bimatoprost pharmacophore against hepatitis_b pathway. l-citrulline kidney_cancer GAP_LOW 0.1125 0.03636363636363636 methotrexate Low-priority: Computational docking l-citrulline vs kidney_cancer targets. Cross-check l-citrulline pharmacophore against kidney_cancer pathway. l-asparagine malignant_mesothelioma GAP_LOW 0.1125 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs malignant_mesothelioma targets. Cross-check l-asparagine pharmacophore against malignant_mesothelioma pathway. trimipramine sclerosing_cholangitis GAP_HIGH 0.1124 0.375 clofedanol High-priority: Binding assay trimipramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to clofedanol (Jaccard=0.38) nateglinide liver_cancer GAP_HIGH 0.1124 0.3333333333333333 mitiglinide High-priority: Binding assay nateglinide→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.33) zuclopenthixol thyroid_cancer GAP_HIGH 0.1124 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) methotrexate psoriatic_arthritis GAP_HIGH 0.1124 0.2727272727272727 tetrahydrofolic_acid High-priority: Binding assay methotrexate→?; validate in psoriatic_arthritis cell model. Expected: similar to tetrahydrofolic_acid (Jaccard=0.27) l-tyrosine head_and_neck_cancer GAP_HIGH 0.1124 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) l-tyrosine malignant_glioma GAP_HIGH 0.1124 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.27) clotrimazole celiac_disease GAP_HIGH 0.1124 0.25925925925925924 diphenylpyraline High-priority: Binding assay clotrimazole→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.26) atomoxetine esophageal_cancer GAP_HIGH 0.1124 0.25 tamoxifen High-priority: Binding assay atomoxetine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) prednisolone alzheimers_disease GAP_HIGH 0.1124 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in alzheimers_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisolone parkinsons_disease GAP_HIGH 0.1124 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in parkinsons_disease cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) doxorubicin refractive_error GAP_HIGH 0.1124 0.21428571428571427 epinephrine High-priority: Binding assay doxorubicin→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.21) oxybuprocaine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1124 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.21) epirubicin attention_deficit_hyperactivity_disorder GAP_HIGH 0.1124 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to amsacrine (Jaccard=0.20) alendronate osteoporosis GAP_HIGH 0.1124 0.18181818181818182 trifluoperazine High-priority: Binding assay alendronate→?; validate in osteoporosis cell model. Expected: similar to trifluoperazine (Jaccard=0.18) alvimopan crohns_disease GAP_HIGH 0.1124 0.18181818181818182 atomoxetine High-priority: Binding assay alvimopan→?; validate in crohns_disease cell model. Expected: similar to atomoxetine (Jaccard=0.18) amcinonide alcohol_dependence GAP_HIGH 0.1124 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) chlorphenesin thyroid_cancer GAP_HIGH 0.1124 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in thyroid_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) levomilnacipran ocular_cancer GAP_HIGH 0.1124 0.15384615384615385 lacosamide High-priority: Binding assay levomilnacipran→?; validate in ocular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.15) danazol focal_segmental_glomerulosclerosis GAP_LOW 0.1124 0.125 bumetanide Low-priority: Computational docking danazol vs focal_segmental_glomerulosclerosis targets. Cross-check danazol pharmacophore against focal_segmental_glomerulosclerosis pathway. dapsone idiopathic_pulmonary_fibrosis GAP_LOW 0.1124 0.1111111111111111 ritodrine Low-priority: Computational docking dapsone vs idiopathic_pulmonary_fibrosis targets. Cross-check dapsone pharmacophore against idiopathic_pulmonary_fibrosis pathway. ziprasidone glaucoma GAP_LOW 0.1124 0.1111111111111111 sodium_lauryl_sulfate Low-priority: Computational docking ziprasidone vs glaucoma targets. Cross-check ziprasidone pharmacophore against glaucoma pathway. tolbutamide ovarian_cancer GAP_LOW 0.1124 0.1 cinnarizine Low-priority: Computational docking tolbutamide vs ovarian_cancer targets. Cross-check tolbutamide pharmacophore against ovarian_cancer pathway. indomethacin azoospermia GAP_LOW 0.1124 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs azoospermia targets. Cross-check indomethacin pharmacophore against azoospermia pathway. dyphylline multiple_sclerosis GAP_LOW 0.1124 0.09090909090909091 furazolidone Low-priority: Computational docking dyphylline vs multiple_sclerosis targets. Cross-check dyphylline pharmacophore against multiple_sclerosis pathway. atenolol hepatitis_b GAP_LOW 0.1124 0.08333333333333333 alvimopan Low-priority: Computational docking atenolol vs hepatitis_b targets. Cross-check atenolol pharmacophore against hepatitis_b pathway. flurazepam malaria GAP_LOW 0.1124 0.08 antipyrine Low-priority: Computational docking flurazepam vs malaria targets. Cross-check flurazepam pharmacophore against malaria pathway. tripelennamine dilated_cardiomyopathy GAP_LOW 0.1124 0.07142857142857142 trandolapril Low-priority: Computational docking tripelennamine vs dilated_cardiomyopathy targets. Cross-check tripelennamine pharmacophore against dilated_cardiomyopathy pathway. l-aspartic_acid liver_cancer GAP_LOW 0.1124 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs liver_cancer targets. Cross-check l-aspartic_acid pharmacophore against liver_cancer pathway. prazepam brain_cancer GAP_LOW 0.1124 0.05263157894736842 levorphanol Low-priority: Computational docking prazepam vs brain_cancer targets. Cross-check prazepam pharmacophore against brain_cancer pathway. l-methionine azoospermia GAP_LOW 0.1124 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs azoospermia targets. Cross-check l-methionine pharmacophore against azoospermia pathway. bromfenac pagets_disease_of_bone GAP_LOW 0.1124 0.0 ibandronate Low-priority: Computational docking bromfenac vs pagets_disease_of_bone targets. Cross-check bromfenac pharmacophore against pagets_disease_of_bone pathway. thiamylal vaginal_cancer GAP_LOW 0.1124 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs vaginal_cancer targets. Cross-check thiamylal pharmacophore against vaginal_cancer pathway. thiamylal vulva_cancer GAP_LOW 0.1124 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs vulva_cancer targets. Cross-check thiamylal pharmacophore against vulva_cancer pathway. triflupromazine pagets_disease_of_bone GAP_LOW 0.1124 0.0 ibandronate Low-priority: Computational docking triflupromazine vs pagets_disease_of_bone targets. Cross-check triflupromazine pharmacophore against pagets_disease_of_bone pathway. tamoxifen prostate_cancer GAP_HIGH 0.1123 0.3333333333333333 isopropamide High-priority: Binding assay tamoxifen→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) propranolol uterine_fibroid GAP_HIGH 0.1123 0.3181818181818182 tamsulosin High-priority: Binding assay propranolol→?; validate in uterine_fibroid cell model. Expected: similar to tamsulosin (Jaccard=0.32) carbinoxamine vaginal_cancer GAP_HIGH 0.1123 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in vaginal_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) carbinoxamine vulva_cancer GAP_HIGH 0.1123 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in vulva_cancer cell model. Expected: similar to alimemazine (Jaccard=0.31) desipramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1123 0.2857142857142857 aspartame High-priority: Binding assay desipramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.29) norethindrone salivary_gland_cancer GAP_HIGH 0.1123 0.2857142857142857 progesterone High-priority: Binding assay norethindrone→?; validate in salivary_gland_cancer cell model. Expected: similar to progesterone (Jaccard=0.29) brompheniramine duodenum_cancer GAP_HIGH 0.1123 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in duodenum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) brompheniramine gallbladder_cancer GAP_HIGH 0.1123 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in gallbladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) masoprocol creutzfeldt-jakob_disease GAP_HIGH 0.1123 0.25 l-dopa High-priority: Binding assay masoprocol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.25) prednisolone amyotrophic_lateral_sclerosis GAP_HIGH 0.1123 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisolone autistic_disorder GAP_HIGH 0.1123 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in autistic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisolone nicotine_dependence GAP_HIGH 0.1123 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in nicotine_dependence cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) bevantolol thyroid_cancer GAP_HIGH 0.1123 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in thyroid_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) nortriptyline gilles_de_la_tourette_syndrome GAP_HIGH 0.1123 0.2222222222222222 tolterodine High-priority: Binding assay nortriptyline→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to tolterodine (Jaccard=0.22) fulvestrant nephrolithiasis GAP_HIGH 0.1123 0.17647058823529413 betamethasone High-priority: Binding assay fulvestrant→?; validate in nephrolithiasis cell model. Expected: similar to betamethasone (Jaccard=0.18) s-adenosylmethionine kidney_cancer GAP_HIGH 0.1123 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in kidney_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) imipramine mediastinal_cancer GAP_HIGH 0.1123 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in mediastinal_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) indapamide peripheral_nervous_system_neoplasm GAP_HIGH 0.1123 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to diclofenamide (Jaccard=0.17) pamidronate coronary_artery_disease GAP_HIGH 0.1123 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in coronary_artery_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate hematologic_cancer GAP_HIGH 0.1123 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in hematologic_cancer cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate narcolepsy GAP_HIGH 0.1123 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in narcolepsy cell model. Expected: similar to phenelzine (Jaccard=0.17) estazolam hematologic_cancer GAP_HIGH 0.1123 0.16129032258064516 flurbiprofen High-priority: Binding assay estazolam→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.16) pimozide malignant_mesothelioma GAP_HIGH 0.1123 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in malignant_mesothelioma cell model. Expected: similar to fentanyl (Jaccard=0.16) imatinib liver_cancer GAP_HIGH 0.1123 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in liver_cancer cell model. Expected: similar to gefitinib (Jaccard=0.16) lenalidomide alzheimers_disease GAP_LOW 0.1123 0.14285714285714285 orciprenaline Low-priority: Computational docking lenalidomide vs alzheimers_disease targets. Cross-check lenalidomide pharmacophore against alzheimers_disease pathway. abacavir penile_cancer GAP_LOW 0.1123 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs penile_cancer targets. Cross-check abacavir pharmacophore against penile_cancer pathway. clonidine gestational_diabetes GAP_LOW 0.1123 0.1111111111111111 bezafibrate Low-priority: Computational docking clonidine vs gestational_diabetes targets. Cross-check clonidine pharmacophore against gestational_diabetes pathway. hydromorphone gilles_de_la_tourette_syndrome GAP_LOW 0.1123 0.1111111111111111 midazolam Low-priority: Computational docking hydromorphone vs gilles_de_la_tourette_syndrome targets. Cross-check hydromorphone pharmacophore against gilles_de_la_tourette_syndrome pathway. nabumetone duodenum_cancer GAP_LOW 0.1123 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs duodenum_cancer targets. Cross-check nabumetone pharmacophore against duodenum_cancer pathway. nabumetone gallbladder_cancer GAP_LOW 0.1123 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs gallbladder_cancer targets. Cross-check nabumetone pharmacophore against gallbladder_cancer pathway. aciclovir idiopathic_pulmonary_fibrosis GAP_LOW 0.1123 0.07142857142857142 zafirlukast Low-priority: Computational docking aciclovir vs idiopathic_pulmonary_fibrosis targets. Cross-check aciclovir pharmacophore against idiopathic_pulmonary_fibrosis pathway. midodrine mediastinal_cancer GAP_LOW 0.1123 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs mediastinal_cancer targets. Cross-check midodrine pharmacophore against mediastinal_cancer pathway. midodrine primary_biliary_cirrhosis GAP_LOW 0.1123 0.07142857142857142 salicylate-sodium Low-priority: Computational docking midodrine vs primary_biliary_cirrhosis targets. Cross-check midodrine pharmacophore against primary_biliary_cirrhosis pathway. ketazolam glaucoma GAP_LOW 0.1123 0.06896551724137931 pseudoephedrine Low-priority: Computational docking ketazolam vs glaucoma targets. Cross-check ketazolam pharmacophore against glaucoma pathway. calcium_acetate alopecia_areata GAP_LOW 0.1123 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs alopecia_areata targets. Cross-check calcium_acetate pharmacophore against alopecia_areata pathway. lercanidipine alopecia_areata GAP_LOW 0.1123 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs alopecia_areata targets. Cross-check lercanidipine pharmacophore against alopecia_areata pathway. nimodipine alopecia_areata GAP_LOW 0.1123 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs alopecia_areata targets. Cross-check nimodipine pharmacophore against alopecia_areata pathway. papaverine alopecia_areata GAP_LOW 0.1123 0.0 hydrocortisone Low-priority: Computational docking papaverine vs alopecia_areata targets. Cross-check papaverine pharmacophore against alopecia_areata pathway. tofisopam alopecia_areata GAP_LOW 0.1123 0.0 hydrocortisone Low-priority: Computational docking tofisopam vs alopecia_areata targets. Cross-check tofisopam pharmacophore against alopecia_areata pathway. warfarin sclerosing_cholangitis GAP_HIGH 0.1122 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in sclerosing_cholangitis cell model. Expected: similar to modafinil (Jaccard=0.33) salsalate hematologic_cancer GAP_HIGH 0.1122 0.3 tiaprofenic_acid High-priority: Binding assay salsalate→?; validate in hematologic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.30) loxapine thyroid_cancer GAP_HIGH 0.1122 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) carbidopa malignant_mesothelioma GAP_HIGH 0.1122 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.26) diphemanil_methylsulfate kidney_cancer GAP_HIGH 0.1122 0.2222222222222222 levorphanol High-priority: Binding assay diphemanil_methylsulfate→?; validate in kidney_cancer cell model. Expected: similar to levorphanol (Jaccard=0.22) ketoprofen gout GAP_HIGH 0.1122 0.2222222222222222 ketorolac High-priority: Binding assay ketoprofen→?; validate in gout cell model. Expected: similar to ketorolac (Jaccard=0.22) amoxapine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1122 0.2 azatadine High-priority: Binding assay amoxapine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.20) s-adenosylmethionine nephrolithiasis GAP_HIGH 0.1122 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in nephrolithiasis cell model. Expected: similar to lamivudine (Jaccard=0.17) imipramine thymus_cancer GAP_HIGH 0.1122 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in thymus_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) lenalidomide amyotrophic_lateral_sclerosis GAP_LOW 0.1122 0.14285714285714285 orciprenaline Low-priority: Computational docking lenalidomide vs amyotrophic_lateral_sclerosis targets. Cross-check lenalidomide pharmacophore against amyotrophic_lateral_sclerosis pathway. lenalidomide parkinsons_disease GAP_LOW 0.1122 0.14285714285714285 orciprenaline Low-priority: Computational docking lenalidomide vs parkinsons_disease targets. Cross-check lenalidomide pharmacophore against parkinsons_disease pathway. ketorolac malaria GAP_LOW 0.1122 0.13333333333333333 warfarin Low-priority: Computational docking ketorolac vs malaria targets. Cross-check ketorolac pharmacophore against malaria pathway. danazol type_1_diabetes_mellitus GAP_LOW 0.1122 0.125 glyburide Low-priority: Computational docking danazol vs type_1_diabetes_mellitus targets. Cross-check danazol pharmacophore against type_1_diabetes_mellitus pathway. phenylephrine penile_cancer GAP_LOW 0.1122 0.11764705882352941 ifenprodil Low-priority: Computational docking phenylephrine vs penile_cancer targets. Cross-check phenylephrine pharmacophore against penile_cancer pathway. nilotinib coronary_artery_disease GAP_LOW 0.1122 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs coronary_artery_disease targets. Cross-check nilotinib pharmacophore against coronary_artery_disease pathway. meclizine leprosy GAP_LOW 0.1122 0.1111111111111111 sulfamethizole Low-priority: Computational docking meclizine vs leprosy targets. Cross-check meclizine pharmacophore against leprosy pathway. theophylline metabolic_syndrome_x GAP_LOW 0.1122 0.1 nitrazepam Low-priority: Computational docking theophylline vs metabolic_syndrome_x targets. Cross-check theophylline pharmacophore against metabolic_syndrome_x pathway. furosemide atherosclerosis GAP_LOW 0.1122 0.08571428571428572 fenoprofen Low-priority: Computational docking furosemide vs atherosclerosis targets. Cross-check furosemide pharmacophore against atherosclerosis pathway. hydrochlorothiazide malignant_mesothelioma GAP_LOW 0.1122 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs malignant_mesothelioma targets. Cross-check hydrochlorothiazide pharmacophore against malignant_mesothelioma pathway. nabumetone mediastinal_cancer GAP_LOW 0.1122 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs mediastinal_cancer targets. Cross-check nabumetone pharmacophore against mediastinal_cancer pathway. felypressin duodenum_cancer GAP_LOW 0.1122 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs duodenum_cancer targets. Cross-check felypressin pharmacophore against duodenum_cancer pathway. felypressin gallbladder_cancer GAP_LOW 0.1122 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs gallbladder_cancer targets. Cross-check felypressin pharmacophore against gallbladder_cancer pathway. felypressin melanoma GAP_LOW 0.1122 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs melanoma targets. Cross-check felypressin pharmacophore against melanoma pathway. terlipressin melanoma GAP_LOW 0.1122 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs melanoma targets. Cross-check terlipressin pharmacophore against melanoma pathway. l-aspartic_acid urinary_bladder_cancer GAP_LOW 0.1122 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs urinary_bladder_cancer targets. Cross-check l-aspartic_acid pharmacophore against urinary_bladder_cancer pathway. methyldopa panic_disorder GAP_HIGH 0.1121 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in panic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) pheniramine germ_cell_cancer GAP_HIGH 0.1121 0.3 tamoxifen High-priority: Binding assay pheniramine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.30) clotrimazole idiopathic_pulmonary_fibrosis GAP_HIGH 0.1121 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.28) azelastine thyroid_cancer GAP_HIGH 0.1121 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) isopropamide pharynx_cancer GAP_HIGH 0.1121 0.2631578947368421 phenylbutazone High-priority: Binding assay isopropamide→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.26) prednisolone attention_deficit_hyperactivity_disorder GAP_HIGH 0.1121 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) cinnarizine stomach_cancer GAP_HIGH 0.1121 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) gemcitabine osteoporosis GAP_HIGH 0.1121 0.2222222222222222 ribavirin High-priority: Binding assay gemcitabine→?; validate in osteoporosis cell model. Expected: similar to ribavirin (Jaccard=0.22) oxybuprocaine asthma GAP_HIGH 0.1121 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in asthma cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine conduct_disorder GAP_HIGH 0.1121 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in conduct_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine panic_disorder GAP_HIGH 0.1121 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in panic_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine schizophrenia GAP_HIGH 0.1121 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in schizophrenia cell model. Expected: similar to phenmetrazine (Jaccard=0.21) thioproperazine alcohol_dependence GAP_HIGH 0.1121 0.21052631578947367 temazepam High-priority: Binding assay thioproperazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.21) epirubicin asthma GAP_HIGH 0.1121 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in asthma cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin breast_cancer GAP_HIGH 0.1121 0.2 daunorubicin High-priority: Binding assay epirubicin→?; validate in breast_cancer cell model. Expected: similar to daunorubicin (Jaccard=0.20) epirubicin conduct_disorder GAP_HIGH 0.1121 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in conduct_disorder cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin panic_disorder GAP_HIGH 0.1121 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in panic_disorder cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin schizophrenia GAP_HIGH 0.1121 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in schizophrenia cell model. Expected: similar to amsacrine (Jaccard=0.20) teniposide systemic_lupus_erythematosus GAP_HIGH 0.1121 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to epirubicin (Jaccard=0.20) fulvestrant celiac_disease GAP_HIGH 0.1121 0.17647058823529413 betamethasone High-priority: Binding assay fulvestrant→?; validate in celiac_disease cell model. Expected: similar to betamethasone (Jaccard=0.18) orphenadrine meningioma GAP_HIGH 0.1121 0.17647058823529413 phenylbutazone High-priority: Binding assay orphenadrine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.18) chlorphenesin pancreatitis GAP_HIGH 0.1121 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in pancreatitis cell model. Expected: similar to pantoprazole (Jaccard=0.17) ethylmorphine uterine_fibroid GAP_HIGH 0.1121 0.16666666666666666 tamoxifen High-priority: Binding assay ethylmorphine→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.17) mitiglinide malaria GAP_HIGH 0.1121 0.16666666666666666 tranylcypromine High-priority: Binding assay mitiglinide→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.17) glucosamine celiac_disease GAP_HIGH 0.1121 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) diclofenac glaucoma GAP_HIGH 0.1121 0.16 pseudoephedrine High-priority: Binding assay diclofenac→?; validate in glaucoma cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) methylprednisolone atherosclerosis GAP_HIGH 0.1121 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in atherosclerosis cell model. Expected: similar to floctafenine (Jaccard=0.15) telmisartan salivary_gland_cancer GAP_LOW 0.1121 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs salivary_gland_cancer targets. Cross-check telmisartan pharmacophore against salivary_gland_cancer pathway. tretinoin metabolic_syndrome_x GAP_LOW 0.1121 0.14285714285714285 prazosin Low-priority: Computational docking tretinoin vs metabolic_syndrome_x targets. Cross-check tretinoin pharmacophore against metabolic_syndrome_x pathway. ethotoin penile_cancer GAP_LOW 0.1121 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs penile_cancer targets. Cross-check ethotoin pharmacophore against penile_cancer pathway. dapsone alzheimers_disease GAP_LOW 0.1121 0.125 nateglinide Low-priority: Computational docking dapsone vs alzheimers_disease targets. Cross-check dapsone pharmacophore against alzheimers_disease pathway. paricalcitol osteoarthritis GAP_LOW 0.1121 0.125 zolpidem Low-priority: Computational docking paricalcitol vs osteoarthritis targets. Cross-check paricalcitol pharmacophore against osteoarthritis pathway. ziprasidone germ_cell_cancer GAP_LOW 0.1121 0.125 alendronate Low-priority: Computational docking ziprasidone vs germ_cell_cancer targets. Cross-check ziprasidone pharmacophore against germ_cell_cancer pathway. theophylline osteoarthritis GAP_LOW 0.1121 0.1 nitrazepam Low-priority: Computational docking theophylline vs osteoarthritis targets. Cross-check theophylline pharmacophore against osteoarthritis pathway. ponatinib head_and_neck_cancer GAP_LOW 0.1121 0.08571428571428572 doxorubicin Low-priority: Computational docking ponatinib vs head_and_neck_cancer targets. Cross-check ponatinib pharmacophore against head_and_neck_cancer pathway. ponatinib malignant_glioma GAP_LOW 0.1121 0.08571428571428572 doxorubicin Low-priority: Computational docking ponatinib vs malignant_glioma targets. Cross-check ponatinib pharmacophore against malignant_glioma pathway. floctafenine gestational_diabetes GAP_LOW 0.1121 0.07692307692307693 tolbutamide Low-priority: Computational docking floctafenine vs gestational_diabetes targets. Cross-check floctafenine pharmacophore against gestational_diabetes pathway. indomethacin type_1_diabetes_mellitus GAP_LOW 0.1121 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs type_1_diabetes_mellitus targets. Cross-check indomethacin pharmacophore against type_1_diabetes_mellitus pathway. nabumetone thymus_cancer GAP_LOW 0.1121 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs thymus_cancer targets. Cross-check nabumetone pharmacophore against thymus_cancer pathway. vapreotide germ_cell_cancer GAP_LOW 0.1121 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs germ_cell_cancer targets. Cross-check vapreotide pharmacophore against germ_cell_cancer pathway. l-citrulline azoospermia GAP_LOW 0.1121 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs azoospermia targets. Cross-check l-citrulline pharmacophore against azoospermia pathway. nabumetone focal_segmental_glomerulosclerosis GAP_LOW 0.1121 0.043478260869565216 dimetacrine Low-priority: Computational docking nabumetone vs focal_segmental_glomerulosclerosis targets. Cross-check nabumetone pharmacophore against focal_segmental_glomerulosclerosis pathway. acetic_acid atherosclerosis GAP_LOW 0.1121 0.0 fenoprofen Low-priority: Computational docking acetic_acid vs atherosclerosis targets. Cross-check acetic_acid pharmacophore against atherosclerosis pathway. acetic_acid lymphatic_system_cancer GAP_LOW 0.1121 0.0 vinblastine Low-priority: Computational docking acetic_acid vs lymphatic_system_cancer targets. Cross-check acetic_acid pharmacophore against lymphatic_system_cancer pathway. benzthiazide lymphatic_system_cancer GAP_LOW 0.1121 0.0 vinblastine Low-priority: Computational docking benzthiazide vs lymphatic_system_cancer targets. Cross-check benzthiazide pharmacophore against lymphatic_system_cancer pathway. bimatoprost alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking bimatoprost vs alcohol_dependence targets. Cross-check bimatoprost pharmacophore against alcohol_dependence pathway. chlorpropamide alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking chlorpropamide vs alcohol_dependence targets. Cross-check chlorpropamide pharmacophore against alcohol_dependence pathway. emtricitabine alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking emtricitabine vs alcohol_dependence targets. Cross-check emtricitabine pharmacophore against alcohol_dependence pathway. esmolol lymphatic_system_cancer GAP_LOW 0.1121 0.0 vinblastine Low-priority: Computational docking esmolol vs lymphatic_system_cancer targets. Cross-check esmolol pharmacophore against lymphatic_system_cancer pathway. flavin_adenine_dinucleotide alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking flavin_adenine_dinucleotide vs alcohol_dependence targets. Cross-check flavin_adenine_dinucleotide pharmacophore against alcohol_dependence pathway. latanoprost alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking latanoprost vs alcohol_dependence targets. Cross-check latanoprost pharmacophore against alcohol_dependence pathway. quinestrol atherosclerosis GAP_LOW 0.1121 0.0 fenoprofen Low-priority: Computational docking quinestrol vs atherosclerosis targets. Cross-check quinestrol pharmacophore against atherosclerosis pathway. quinestrol lymphatic_system_cancer GAP_LOW 0.1121 0.0 vinblastine Low-priority: Computational docking quinestrol vs lymphatic_system_cancer targets. Cross-check quinestrol pharmacophore against lymphatic_system_cancer pathway. tolbutamide alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking tolbutamide vs alcohol_dependence targets. Cross-check tolbutamide pharmacophore against alcohol_dependence pathway. travoprost alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking travoprost vs alcohol_dependence targets. Cross-check travoprost pharmacophore against alcohol_dependence pathway. triamterene alcohol_dependence GAP_LOW 0.1121 0.0 midazolam Low-priority: Computational docking triamterene vs alcohol_dependence targets. Cross-check triamterene pharmacophore against alcohol_dependence pathway. methyldopa conduct_disorder GAP_HIGH 0.112 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in conduct_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) methyldopa schizophrenia GAP_HIGH 0.112 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in schizophrenia cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) cinnarizine pancreatic_cancer GAP_HIGH 0.112 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in pancreatic_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) oxybuprocaine allergic_rhinitis GAP_HIGH 0.112 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in allergic_rhinitis cell model. Expected: similar to phenmetrazine (Jaccard=0.21) oxybuprocaine breast_cancer GAP_HIGH 0.112 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in breast_cancer cell model. Expected: similar to phenmetrazine (Jaccard=0.21) aprindine penile_cancer GAP_HIGH 0.112 0.20833333333333334 methadone High-priority: Binding assay aprindine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.21) epirubicin allergic_rhinitis GAP_HIGH 0.112 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in allergic_rhinitis cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin hypertension GAP_HIGH 0.112 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in hypertension cell model. Expected: similar to amsacrine (Jaccard=0.20) testosterone mediastinal_cancer GAP_HIGH 0.112 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in mediastinal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) glucosamine germ_cell_cancer GAP_HIGH 0.112 0.1724137931034483 doxorubicin High-priority: Binding assay glucosamine→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.17) sulfapyridine refractive_error GAP_HIGH 0.112 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in refractive_error cell model. Expected: similar to droxidopa (Jaccard=0.17) alendronate idiopathic_pulmonary_fibrosis GAP_HIGH 0.112 0.16666666666666666 azatadine High-priority: Binding assay alendronate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.17) alvimopan refractive_error GAP_HIGH 0.112 0.16666666666666666 clonidine High-priority: Binding assay alvimopan→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.17) allylestrenol alzheimers_disease GAP_LOW 0.112 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs alzheimers_disease targets. Cross-check allylestrenol pharmacophore against alzheimers_disease pathway. enalapril membranous_glomerulonephritis GAP_LOW 0.112 0.14285714285714285 alvimopan Low-priority: Computational docking enalapril vs membranous_glomerulonephritis targets. Cross-check enalapril pharmacophore against membranous_glomerulonephritis pathway. hydromorphone chronic_obstructive_pulmonary_disease GAP_LOW 0.112 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs chronic_obstructive_pulmonary_disease targets. Cross-check hydromorphone pharmacophore against chronic_obstructive_pulmonary_disease pathway. telmisartan muscle_cancer GAP_LOW 0.112 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs muscle_cancer targets. Cross-check telmisartan pharmacophore against muscle_cancer pathway. chloroprocaine acquired_immunodeficiency_syndrome GAP_LOW 0.112 0.11764705882352941 mitiglinide Low-priority: Computational docking chloroprocaine vs acquired_immunodeficiency_syndrome targets. Cross-check chloroprocaine pharmacophore against acquired_immunodeficiency_syndrome pathway. etonogestrel focal_segmental_glomerulosclerosis GAP_LOW 0.112 0.1111111111111111 calcitriol Low-priority: Computational docking etonogestrel vs focal_segmental_glomerulosclerosis targets. Cross-check etonogestrel pharmacophore against focal_segmental_glomerulosclerosis pathway. nandrolone_phenpropionate chronic_kidney_failure GAP_LOW 0.112 0.1111111111111111 ergocalciferol Low-priority: Computational docking nandrolone_phenpropionate vs chronic_kidney_failure targets. Cross-check nandrolone_phenpropionate pharmacophore against chronic_kidney_failure pathway. nabumetone amyotrophic_lateral_sclerosis GAP_LOW 0.112 0.09090909090909091 hydromorphone Low-priority: Computational docking nabumetone vs amyotrophic_lateral_sclerosis targets. Cross-check nabumetone pharmacophore against amyotrophic_lateral_sclerosis pathway. sulfanilamide esophageal_cancer GAP_LOW 0.112 0.09090909090909091 topotecan Low-priority: Computational docking sulfanilamide vs esophageal_cancer targets. Cross-check sulfanilamide pharmacophore against esophageal_cancer pathway. nelarabine metabolic_syndrome_x GAP_LOW 0.112 0.07692307692307693 lidocaine Low-priority: Computational docking nelarabine vs metabolic_syndrome_x targets. Cross-check nelarabine pharmacophore against metabolic_syndrome_x pathway. midodrine hematologic_cancer GAP_LOW 0.112 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking midodrine vs hematologic_cancer targets. Cross-check midodrine pharmacophore against hematologic_cancer pathway. dyphylline penile_cancer GAP_LOW 0.112 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs penile_cancer targets. Cross-check dyphylline pharmacophore against penile_cancer pathway. gliclazide chronic_kidney_failure GAP_LOW 0.112 0.06666666666666667 indapamide Low-priority: Computational docking gliclazide vs chronic_kidney_failure targets. Cross-check gliclazide pharmacophore against chronic_kidney_failure pathway. nabumetone penile_cancer GAP_LOW 0.112 0.06666666666666667 spironolactone Low-priority: Computational docking nabumetone vs penile_cancer targets. Cross-check nabumetone pharmacophore against penile_cancer pathway. nelarabine coronary_artery_disease GAP_LOW 0.112 0.06666666666666667 chloroprocaine Low-priority: Computational docking nelarabine vs coronary_artery_disease targets. Cross-check nelarabine pharmacophore against coronary_artery_disease pathway. s-adenosylmethionine gestational_diabetes GAP_LOW 0.112 0.05357142857142857 sulpiride Low-priority: Computational docking s-adenosylmethionine vs gestational_diabetes targets. Cross-check s-adenosylmethionine pharmacophore against gestational_diabetes pathway. norepinephrine hepatitis_b GAP_LOW 0.112 0.05 ribavirin Low-priority: Computational docking norepinephrine vs hepatitis_b targets. Cross-check norepinephrine pharmacophore against hepatitis_b pathway. lidocaine gestational_diabetes GAP_LOW 0.112 0.047619047619047616 gliclazide Low-priority: Computational docking lidocaine vs gestational_diabetes targets. Cross-check lidocaine pharmacophore against gestational_diabetes pathway. carbinoxamine pagets_disease_of_bone GAP_LOW 0.112 0.0 ibandronate Low-priority: Computational docking carbinoxamine vs pagets_disease_of_bone targets. Cross-check carbinoxamine pharmacophore against pagets_disease_of_bone pathway. mannitol penile_cancer GAP_LOW 0.112 0.0 hydrocortisone Low-priority: Computational docking mannitol vs penile_cancer targets. Cross-check mannitol pharmacophore against penile_cancer pathway. olsalazine pagets_disease_of_bone GAP_LOW 0.112 0.0 ibandronate Low-priority: Computational docking olsalazine vs pagets_disease_of_bone targets. Cross-check olsalazine pharmacophore against pagets_disease_of_bone pathway. pravastatin penile_cancer GAP_LOW 0.112 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs penile_cancer targets. Cross-check pravastatin pharmacophore against penile_cancer pathway. tauroursodeoxycholic_acid penile_cancer GAP_LOW 0.112 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs penile_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against penile_cancer pathway. warfarin pharynx_cancer GAP_HIGH 0.1119 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) zuclopenthixol muscle_cancer GAP_HIGH 0.1119 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) methyldopa bipolar_disorder GAP_HIGH 0.1119 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in bipolar_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) carbinoxamine uterine_fibroid GAP_HIGH 0.1119 0.3076923076923077 alimemazine High-priority: Binding assay carbinoxamine→?; validate in uterine_fibroid cell model. Expected: similar to alimemazine (Jaccard=0.31) salicylic_acid breast_cancer GAP_HIGH 0.1119 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in breast_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) indecainide uterine_cancer GAP_HIGH 0.1119 0.25 metipranolol High-priority: Binding assay indecainide→?; validate in uterine_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) procaine vitiligo GAP_HIGH 0.1119 0.25 tranylcypromine High-priority: Binding assay procaine→?; validate in vitiligo cell model. Expected: similar to tranylcypromine (Jaccard=0.25) oxybuprocaine bipolar_disorder GAP_HIGH 0.1119 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in bipolar_disorder cell model. Expected: similar to phenmetrazine (Jaccard=0.21) atropine prostate_cancer GAP_HIGH 0.1119 0.2 topotecan High-priority: Binding assay atropine→?; validate in prostate_cancer cell model. Expected: similar to topotecan (Jaccard=0.20) epirubicin bipolar_disorder GAP_HIGH 0.1119 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in bipolar_disorder cell model. Expected: similar to amsacrine (Jaccard=0.20) epirubicin endogenous_depression GAP_HIGH 0.1119 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in endogenous_depression cell model. Expected: similar to amsacrine (Jaccard=0.20) testosterone thymus_cancer GAP_HIGH 0.1119 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in thymus_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) oxybuprocaine celiac_disease GAP_HIGH 0.1119 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in celiac_disease cell model. Expected: similar to modafinil (Jaccard=0.17) chlorphenesin muscle_cancer GAP_HIGH 0.1119 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in muscle_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) cinolazepam kidney_cancer GAP_LOW 0.1119 0.15 quinacrine Low-priority: Computational docking cinolazepam vs kidney_cancer targets. Cross-check cinolazepam pharmacophore against kidney_cancer pathway. allylestrenol autistic_disorder GAP_LOW 0.1119 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs autistic_disorder targets. Cross-check allylestrenol pharmacophore against autistic_disorder pathway. sulfanilamide uterine_cancer GAP_LOW 0.1119 0.14285714285714285 mitiglinide Low-priority: Computational docking sulfanilamide vs uterine_cancer targets. Cross-check sulfanilamide pharmacophore against uterine_cancer pathway. adenine esophageal_cancer GAP_LOW 0.1119 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs esophageal_cancer targets. Cross-check adenine pharmacophore against esophageal_cancer pathway. clonazepam celiac_disease GAP_LOW 0.1119 0.13157894736842105 chlorcyclizine Low-priority: Computational docking clonazepam vs celiac_disease targets. Cross-check clonazepam pharmacophore against celiac_disease pathway. tretinoin gout GAP_LOW 0.1119 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs gout targets. Cross-check tretinoin pharmacophore against gout pathway. alitretinoin head_and_neck_cancer GAP_LOW 0.1119 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs head_and_neck_cancer targets. Cross-check alitretinoin pharmacophore against head_and_neck_cancer pathway. alitretinoin malignant_glioma GAP_LOW 0.1119 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs malignant_glioma targets. Cross-check alitretinoin pharmacophore against malignant_glioma pathway. tolbutamide mediastinal_cancer GAP_LOW 0.1119 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs mediastinal_cancer targets. Cross-check tolbutamide pharmacophore against mediastinal_cancer pathway. clotiazepam glaucoma GAP_LOW 0.1119 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs glaucoma targets. Cross-check clotiazepam pharmacophore against glaucoma pathway. nabumetone hematologic_cancer GAP_LOW 0.1119 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs hematologic_cancer targets. Cross-check nabumetone pharmacophore against hematologic_cancer pathway. l-asparagine meningioma GAP_LOW 0.1119 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs meningioma targets. Cross-check l-asparagine pharmacophore against meningioma pathway. nabumetone hepatitis_b GAP_LOW 0.1119 0.02564102564102564 adenosine_triphosphate Low-priority: Computational docking nabumetone vs hepatitis_b targets. Cross-check nabumetone pharmacophore against hepatitis_b pathway. amlodipine head_and_neck_cancer GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs head_and_neck_cancer targets. Cross-check amlodipine pharmacophore against head_and_neck_cancer pathway. amlodipine malignant_glioma GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs malignant_glioma targets. Cross-check amlodipine pharmacophore against malignant_glioma pathway. amodiaquine head_and_neck_cancer GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs head_and_neck_cancer targets. Cross-check amodiaquine pharmacophore against head_and_neck_cancer pathway. amodiaquine malignant_glioma GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs malignant_glioma targets. Cross-check amodiaquine pharmacophore against malignant_glioma pathway. conivaptan head_and_neck_cancer GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs head_and_neck_cancer targets. Cross-check conivaptan pharmacophore against head_and_neck_cancer pathway. conivaptan malignant_glioma GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs malignant_glioma targets. Cross-check conivaptan pharmacophore against malignant_glioma pathway. eprosartan head_and_neck_cancer GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs head_and_neck_cancer targets. Cross-check eprosartan pharmacophore against head_and_neck_cancer pathway. eprosartan malignant_glioma GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking eprosartan vs malignant_glioma targets. Cross-check eprosartan pharmacophore against malignant_glioma pathway. thiamylal uterine_fibroid GAP_LOW 0.1119 0.0 hydrocortisone Low-priority: Computational docking thiamylal vs uterine_fibroid targets. Cross-check thiamylal pharmacophore against uterine_fibroid pathway. tamoxifen hematologic_cancer GAP_HIGH 0.1118 0.3333333333333333 isopropamide High-priority: Binding assay tamoxifen→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.33) loperamide celiac_disease GAP_HIGH 0.1118 0.3125 diphenhydramine High-priority: Binding assay loperamide→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.31) etoricoxib idiopathic_pulmonary_fibrosis GAP_HIGH 0.1118 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ritodrine (Jaccard=0.27) salicylic_acid atopic_dermatitis GAP_HIGH 0.1118 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in atopic_dermatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) salicylic_acid colon_cancer GAP_HIGH 0.1118 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in colon_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) salicylic_acid stomach_cancer GAP_HIGH 0.1118 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in stomach_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) norethindrone malignant_mesothelioma GAP_HIGH 0.1118 0.2608695652173913 hydrocortisone High-priority: Binding assay norethindrone→?; validate in malignant_mesothelioma cell model. Expected: similar to hydrocortisone (Jaccard=0.26) prednisolone conduct_disorder GAP_HIGH 0.1118 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in conduct_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisolone panic_disorder GAP_HIGH 0.1118 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in panic_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) prednisolone schizophrenia GAP_HIGH 0.1118 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in schizophrenia cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) bevantolol muscle_cancer GAP_HIGH 0.1118 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in muscle_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) cinnarizine osteoporosis GAP_HIGH 0.1118 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in osteoporosis cell model. Expected: similar to clotrimazole (Jaccard=0.23) cinnarizine sarcoma GAP_HIGH 0.1118 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in sarcoma cell model. Expected: similar to clotrimazole (Jaccard=0.23) oxybuprocaine endogenous_depression GAP_HIGH 0.1118 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in endogenous_depression cell model. Expected: similar to phenmetrazine (Jaccard=0.21) adenosine_triphosphate thyroid_cancer GAP_HIGH 0.1118 0.20512820512820512 clofarabine High-priority: Binding assay adenosine_triphosphate→?; validate in thyroid_cancer cell model. Expected: similar to clofarabine (Jaccard=0.21) epirubicin multiple_sclerosis GAP_HIGH 0.1118 0.2 nitrofural High-priority: Binding assay epirubicin→?; validate in multiple_sclerosis cell model. Expected: similar to nitrofural (Jaccard=0.20) mitiglinide refractive_error GAP_HIGH 0.1118 0.2 l-tryptophan High-priority: Binding assay mitiglinide→?; validate in refractive_error cell model. Expected: similar to l-tryptophan (Jaccard=0.20) phenytoin alcohol_dependence GAP_HIGH 0.1118 0.19607843137254902 mazindol High-priority: Binding assay phenytoin→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.20) betamethasone alcohol_dependence GAP_HIGH 0.1118 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) chlorphenesin lung_cancer GAP_HIGH 0.1118 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in lung_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) chlorphenesin rectum_cancer GAP_HIGH 0.1118 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in rectum_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) imipramine kidney_cancer GAP_LOW 0.1118 0.14285714285714285 histamine_phosphate Low-priority: Computational docking imipramine vs kidney_cancer targets. Cross-check imipramine pharmacophore against kidney_cancer pathway. telmisartan ocular_cancer GAP_LOW 0.1118 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs ocular_cancer targets. Cross-check telmisartan pharmacophore against ocular_cancer pathway. ziprasidone pharynx_cancer GAP_LOW 0.1118 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs pharynx_cancer targets. Cross-check ziprasidone pharmacophore against pharynx_cancer pathway. ethylmorphine membranous_glomerulonephritis GAP_LOW 0.1118 0.13333333333333333 propiomazine Low-priority: Computational docking ethylmorphine vs membranous_glomerulonephritis targets. Cross-check ethylmorphine pharmacophore against membranous_glomerulonephritis pathway. ziprasidone celiac_disease GAP_LOW 0.1118 0.11538461538461539 chlorcyclizine Low-priority: Computational docking ziprasidone vs celiac_disease targets. Cross-check ziprasidone pharmacophore against celiac_disease pathway. chlorpropamide pharynx_cancer GAP_LOW 0.1118 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs pharynx_cancer targets. Cross-check chlorpropamide pharmacophore against pharynx_cancer pathway. dihydrotachysterol gout GAP_LOW 0.1118 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs gout targets. Cross-check dihydrotachysterol pharmacophore against gout pathway. theophylline obesity GAP_LOW 0.1118 0.1 nitrazepam Low-priority: Computational docking theophylline vs obesity targets. Cross-check theophylline pharmacophore against obesity pathway. danazol atherosclerosis GAP_LOW 0.1118 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking danazol vs atherosclerosis targets. Cross-check danazol pharmacophore against atherosclerosis pathway. tolbutamide thymus_cancer GAP_LOW 0.1118 0.08333333333333333 procarbazine Low-priority: Computational docking tolbutamide vs thymus_cancer targets. Cross-check tolbutamide pharmacophore against thymus_cancer pathway. l-citrulline thyroid_cancer GAP_LOW 0.1118 0.07142857142857142 thalidomide Low-priority: Computational docking l-citrulline vs thyroid_cancer targets. Cross-check l-citrulline pharmacophore against thyroid_cancer pathway. proparacaine hepatitis_b GAP_LOW 0.1118 0.06666666666666667 pentostatin Low-priority: Computational docking proparacaine vs hepatitis_b targets. Cross-check proparacaine pharmacophore against hepatitis_b pathway. vapreotide hematologic_cancer GAP_LOW 0.1118 0.06666666666666667 salicylate-sodium Low-priority: Computational docking vapreotide vs hematologic_cancer targets. Cross-check vapreotide pharmacophore against hematologic_cancer pathway. vapreotide narcolepsy GAP_LOW 0.1118 0.06666666666666667 salicylate-sodium Low-priority: Computational docking vapreotide vs narcolepsy targets. Cross-check vapreotide pharmacophore against narcolepsy pathway. emtricitabine coronary_artery_disease GAP_LOW 0.1118 0.0625 chloroprocaine Low-priority: Computational docking emtricitabine vs coronary_artery_disease targets. Cross-check emtricitabine pharmacophore against coronary_artery_disease pathway. loratadine chronic_kidney_failure GAP_LOW 0.1118 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs chronic_kidney_failure targets. Cross-check loratadine pharmacophore against chronic_kidney_failure pathway. vapreotide esophageal_cancer GAP_LOW 0.1118 0.043478260869565216 prednisone Low-priority: Computational docking vapreotide vs esophageal_cancer targets. Cross-check vapreotide pharmacophore against esophageal_cancer pathway. alitretinoin dilated_cardiomyopathy GAP_LOW 0.1118 0.04 progesterone Low-priority: Computational docking alitretinoin vs dilated_cardiomyopathy targets. Cross-check alitretinoin pharmacophore against dilated_cardiomyopathy pathway. candesartan malignant_mesothelioma GAP_LOW 0.1118 0.0 hydrocortisone Low-priority: Computational docking candesartan vs malignant_mesothelioma targets. Cross-check candesartan pharmacophore against malignant_mesothelioma pathway. conivaptan kidney_cancer GAP_LOW 0.1118 0.0 oxybuprocaine Low-priority: Computational docking conivaptan vs kidney_cancer targets. Cross-check conivaptan pharmacophore against kidney_cancer pathway. mannitol malignant_mesothelioma GAP_LOW 0.1118 0.0 hydrocortisone Low-priority: Computational docking mannitol vs malignant_mesothelioma targets. Cross-check mannitol pharmacophore against malignant_mesothelioma pathway. pravastatin malignant_mesothelioma GAP_LOW 0.1118 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs malignant_mesothelioma targets. Cross-check pravastatin pharmacophore against malignant_mesothelioma pathway. perphenazine sarcoma GAP_HIGH 0.1117 0.3157894736842105 ethopropazine High-priority: Binding assay perphenazine→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.32) droxidopa thyroid_cancer GAP_HIGH 0.1117 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in thyroid_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) erlotinib type_2_diabetes_mellitus GAP_HIGH 0.1117 0.2727272727272727 lapatinib High-priority: Binding assay erlotinib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to lapatinib (Jaccard=0.27) salicylic_acid pancreatic_cancer GAP_HIGH 0.1117 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in pancreatic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) salicylic_acid ulcerative_colitis GAP_HIGH 0.1117 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in ulcerative_colitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) diazepam thyroid_cancer GAP_HIGH 0.1117 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) bevantolol lung_cancer GAP_HIGH 0.1117 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in lung_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) adenosine_monophosphate stomach_cancer GAP_HIGH 0.1117 0.23728813559322035 clofarabine High-priority: Binding assay adenosine_monophosphate→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.24) amoxapine urinary_bladder_cancer GAP_HIGH 0.1117 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.22) oxybuprocaine multiple_sclerosis GAP_HIGH 0.1117 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in multiple_sclerosis cell model. Expected: similar to phenmetrazine (Jaccard=0.21) azatadine glaucoma GAP_HIGH 0.1117 0.2 tafluprost High-priority: Binding assay azatadine→?; validate in glaucoma cell model. Expected: similar to tafluprost (Jaccard=0.20) epirubicin migraine GAP_HIGH 0.1117 0.2 acetazolamide High-priority: Binding assay epirubicin→?; validate in migraine cell model. Expected: similar to acetazolamide (Jaccard=0.20) alendronate primary_biliary_cirrhosis GAP_HIGH 0.1117 0.16666666666666666 etoricoxib High-priority: Binding assay alendronate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.17) pimozide meningioma GAP_HIGH 0.1117 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.16) imatinib breast_cancer GAP_HIGH 0.1117 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in breast_cancer cell model. Expected: similar to gefitinib (Jaccard=0.16) imatinib schizophrenia GAP_HIGH 0.1117 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in schizophrenia cell model. Expected: similar to gefitinib (Jaccard=0.16) allylestrenol attention_deficit_hyperactivity_disorder GAP_LOW 0.1117 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs attention_deficit_hyperactivity_disorder targets. Cross-check allylestrenol pharmacophore against attention_deficit_hyperactivity_disorder pathway. tretinoin obesity GAP_LOW 0.1117 0.14285714285714285 metformin Low-priority: Computational docking tretinoin vs obesity targets. Cross-check tretinoin pharmacophore against obesity pathway. chlorphenesin celiac_disease GAP_LOW 0.1117 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs celiac_disease targets. Cross-check chlorphenesin pharmacophore against celiac_disease pathway. alitretinoin nephrolithiasis GAP_LOW 0.1117 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs nephrolithiasis targets. Cross-check alitretinoin pharmacophore against nephrolithiasis pathway. nortriptyline bone_cancer GAP_LOW 0.1117 0.1111111111111111 alendronate Low-priority: Computational docking nortriptyline vs bone_cancer targets. Cross-check nortriptyline pharmacophore against bone_cancer pathway. nilotinib refractive_error GAP_LOW 0.1117 0.09090909090909091 dinoprost_tromethamine Low-priority: Computational docking nilotinib vs refractive_error targets. Cross-check nilotinib pharmacophore against refractive_error pathway. paricalcitol celiac_disease GAP_LOW 0.1117 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs celiac_disease targets. Cross-check paricalcitol pharmacophore against celiac_disease pathway. midodrine thyroid_cancer GAP_LOW 0.1117 0.07692307692307693 pasireotide Low-priority: Computational docking midodrine vs thyroid_cancer targets. Cross-check midodrine pharmacophore against thyroid_cancer pathway. dyphylline malignant_mesothelioma GAP_LOW 0.1117 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs malignant_mesothelioma targets. Cross-check dyphylline pharmacophore against malignant_mesothelioma pathway. midodrine penile_cancer GAP_LOW 0.1117 0.0625 spironolactone Low-priority: Computational docking midodrine vs penile_cancer targets. Cross-check midodrine pharmacophore against penile_cancer pathway. desmopressin alopecia_areata GAP_LOW 0.1117 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs alopecia_areata targets. Cross-check desmopressin pharmacophore against alopecia_areata pathway. terlipressin meningioma GAP_LOW 0.1117 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs meningioma targets. Cross-check terlipressin pharmacophore against meningioma pathway. l-aspartic_acid stomach_cancer GAP_LOW 0.1117 0.05263157894736842 dexamethasone Low-priority: Computational docking l-aspartic_acid vs stomach_cancer targets. Cross-check l-aspartic_acid pharmacophore against stomach_cancer pathway. dyphylline glaucoma GAP_LOW 0.1117 0.05 l-carnitine Low-priority: Computational docking dyphylline vs glaucoma targets. Cross-check dyphylline pharmacophore against glaucoma pathway. l-methionine brain_cancer GAP_LOW 0.1117 0.022727272727272728 methotrexate Low-priority: Computational docking l-methionine vs brain_cancer targets. Cross-check l-methionine pharmacophore against brain_cancer pathway. l-methionine intracranial_aneurysm GAP_LOW 0.1117 0.022727272727272728 methotrexate Low-priority: Computational docking l-methionine vs intracranial_aneurysm targets. Cross-check l-methionine pharmacophore against intracranial_aneurysm pathway. l-cysteine intracranial_aneurysm GAP_LOW 0.1117 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs intracranial_aneurysm targets. Cross-check l-cysteine pharmacophore against intracranial_aneurysm pathway. l-methionine type_1_diabetes_mellitus GAP_LOW 0.1117 0.0196078431372549 rimexolone Low-priority: Computational docking l-methionine vs type_1_diabetes_mellitus targets. Cross-check l-methionine pharmacophore against type_1_diabetes_mellitus pathway. amlodipine refractive_error GAP_LOW 0.1117 0.0 pirbuterol Low-priority: Computational docking amlodipine vs refractive_error targets. Cross-check amlodipine pharmacophore against refractive_error pathway. conivaptan nephrolithiasis GAP_LOW 0.1117 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs nephrolithiasis targets. Cross-check conivaptan pharmacophore against nephrolithiasis pathway. conivaptan refractive_error GAP_LOW 0.1117 0.0 pirbuterol Low-priority: Computational docking conivaptan vs refractive_error targets. Cross-check conivaptan pharmacophore against refractive_error pathway. eprosartan refractive_error GAP_LOW 0.1117 0.0 pirbuterol Low-priority: Computational docking eprosartan vs refractive_error targets. Cross-check eprosartan pharmacophore against refractive_error pathway. gliquidone nephrolithiasis GAP_LOW 0.1117 0.0 hydrocortisone Low-priority: Computational docking gliquidone vs nephrolithiasis targets. Cross-check gliquidone pharmacophore against nephrolithiasis pathway. glisoxepide nephrolithiasis GAP_LOW 0.1117 0.0 hydrocortisone Low-priority: Computational docking glisoxepide vs nephrolithiasis targets. Cross-check glisoxepide pharmacophore against nephrolithiasis pathway. sulpiride nephrolithiasis GAP_LOW 0.1117 0.0 hydrocortisone Low-priority: Computational docking sulpiride vs nephrolithiasis targets. Cross-check sulpiride pharmacophore against nephrolithiasis pathway. methyldopa migraine GAP_HIGH 0.1116 0.3125 salicylate-sodium High-priority: Binding assay methyldopa→?; validate in migraine cell model. Expected: similar to salicylate-sodium (Jaccard=0.31) methyldopa creutzfeldt-jakob_disease GAP_HIGH 0.1116 0.3 l-dopa High-priority: Binding assay methyldopa→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.30) tiaprofenic_acid vulva_cancer GAP_HIGH 0.1116 0.3 salsalate High-priority: Binding assay tiaprofenic_acid→?; validate in vulva_cancer cell model. Expected: similar to salsalate (Jaccard=0.30) salicylic_acid osteoporosis GAP_HIGH 0.1116 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in osteoporosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) salicylic_acid ovarian_cancer GAP_HIGH 0.1116 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in ovarian_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) salicylic_acid psoriasis GAP_HIGH 0.1116 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in psoriasis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) carbidopa meningioma GAP_HIGH 0.1116 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.26) prednisolone bipolar_disorder GAP_HIGH 0.1116 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in bipolar_disorder cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) cinnarizine systemic_lupus_erythematosus GAP_HIGH 0.1116 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to clotrimazole (Jaccard=0.23) gemcitabine osteoarthritis GAP_HIGH 0.1116 0.2222222222222222 ribavirin High-priority: Binding assay gemcitabine→?; validate in osteoarthritis cell model. Expected: similar to ribavirin (Jaccard=0.22) cinnarizine germ_cell_cancer GAP_HIGH 0.1116 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in germ_cell_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) clobazam mediastinal_cancer GAP_HIGH 0.1116 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) nitrazepam ulcerative_colitis GAP_HIGH 0.1116 0.2 naltrexone High-priority: Binding assay nitrazepam→?; validate in ulcerative_colitis cell model. Expected: similar to naltrexone (Jaccard=0.20) sunitinib brain_cancer GAP_HIGH 0.1116 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in brain_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) sunitinib intracranial_aneurysm GAP_HIGH 0.1116 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in intracranial_aneurysm cell model. Expected: similar to doxorubicin (Jaccard=0.20) chlorphenesin liver_cancer GAP_HIGH 0.1116 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in liver_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) indapamide uterine_cancer GAP_HIGH 0.1116 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in uterine_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) phenformin malignant_mesothelioma GAP_HIGH 0.1116 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.15) conjugated_estrogens metabolic_syndrome_x GAP_LOW 0.1116 0.14285714285714285 drospirenone Low-priority: Computational docking conjugated_estrogens vs metabolic_syndrome_x targets. Cross-check conjugated_estrogens pharmacophore against metabolic_syndrome_x pathway. phenformin chronic_kidney_failure GAP_LOW 0.1116 0.14285714285714285 tiaprofenic_acid Low-priority: Computational docking phenformin vs chronic_kidney_failure targets. Cross-check phenformin pharmacophore against chronic_kidney_failure pathway. telmisartan autistic_disorder GAP_LOW 0.1116 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs autistic_disorder targets. Cross-check telmisartan pharmacophore against autistic_disorder pathway. telmisartan nicotine_dependence GAP_LOW 0.1116 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs nicotine_dependence targets. Cross-check telmisartan pharmacophore against nicotine_dependence pathway. crizotinib atherosclerosis GAP_LOW 0.1116 0.13043478260869565 acetylsalicylic_acid Low-priority: Computational docking crizotinib vs atherosclerosis targets. Cross-check crizotinib pharmacophore against atherosclerosis pathway. ospemifene crohns_disease GAP_LOW 0.1116 0.13043478260869565 betamethasone Low-priority: Computational docking ospemifene vs crohns_disease targets. Cross-check ospemifene pharmacophore against crohns_disease pathway. dienestrol creutzfeldt-jakob_disease GAP_LOW 0.1116 0.125 raloxifene Low-priority: Computational docking dienestrol vs creutzfeldt-jakob_disease targets. Cross-check dienestrol pharmacophore against creutzfeldt-jakob_disease pathway. etonogestrel azoospermia GAP_LOW 0.1116 0.125 dienestrol Low-priority: Computational docking etonogestrel vs azoospermia targets. Cross-check etonogestrel pharmacophore against azoospermia pathway. chlorpropamide thyroid_cancer GAP_LOW 0.1116 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs thyroid_cancer targets. Cross-check chlorpropamide pharmacophore against thyroid_cancer pathway. dihydrotachysterol coronary_artery_disease GAP_LOW 0.1116 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs coronary_artery_disease targets. Cross-check dihydrotachysterol pharmacophore against coronary_artery_disease pathway. arbutamine acquired_immunodeficiency_syndrome GAP_LOW 0.1116 0.1 nateglinide Low-priority: Computational docking arbutamine vs acquired_immunodeficiency_syndrome targets. Cross-check arbutamine pharmacophore against acquired_immunodeficiency_syndrome pathway. sulfanilamide head_and_neck_cancer GAP_LOW 0.1116 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs head_and_neck_cancer targets. Cross-check sulfanilamide pharmacophore against head_and_neck_cancer pathway. sulfanilamide malignant_glioma GAP_LOW 0.1116 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs malignant_glioma targets. Cross-check sulfanilamide pharmacophore against malignant_glioma pathway. adenosine celiac_disease GAP_LOW 0.1116 0.08333333333333333 tioguanine Low-priority: Computational docking adenosine vs celiac_disease targets. Cross-check adenosine pharmacophore against celiac_disease pathway. nelarabine obesity GAP_LOW 0.1116 0.07692307692307693 lidocaine Low-priority: Computational docking nelarabine vs obesity targets. Cross-check nelarabine pharmacophore against obesity pathway. cinchocaine lymphatic_system_cancer GAP_LOW 0.1116 0.06060606060606061 ribavirin Low-priority: Computational docking cinchocaine vs lymphatic_system_cancer targets. Cross-check cinchocaine pharmacophore against lymphatic_system_cancer pathway. adenosine_triphosphate bone_cancer GAP_LOW 0.1116 0.05128205128205128 tetrahydrofolic_acid Low-priority: Computational docking adenosine_triphosphate vs bone_cancer targets. Cross-check adenosine_triphosphate pharmacophore against bone_cancer pathway. floctafenine leprosy GAP_LOW 0.1116 0.037037037037037035 sulfapyridine Low-priority: Computational docking floctafenine vs leprosy targets. Cross-check floctafenine pharmacophore against leprosy pathway. l-cysteine brain_cancer GAP_LOW 0.1116 0.02127659574468085 fluticasone_propionate Low-priority: Computational docking l-cysteine vs brain_cancer targets. Cross-check l-cysteine pharmacophore against brain_cancer pathway. acepromazine pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking acepromazine vs pagets_disease_of_bone targets. Cross-check acepromazine pharmacophore against pagets_disease_of_bone pathway. amphetamine hepatitis_b GAP_LOW 0.1116 0.0 mitiglinide Low-priority: Computational docking amphetamine vs hepatitis_b targets. Cross-check amphetamine pharmacophore against hepatitis_b pathway. chlorpromazine pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking chlorpromazine vs pagets_disease_of_bone targets. Cross-check chlorpromazine pharmacophore against pagets_disease_of_bone pathway. clomipramine pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking clomipramine vs pagets_disease_of_bone targets. Cross-check clomipramine pharmacophore against pagets_disease_of_bone pathway. l-asparagine hepatitis_b GAP_LOW 0.1116 0.0 mitiglinide Low-priority: Computational docking l-asparagine vs hepatitis_b targets. Cross-check l-asparagine pharmacophore against hepatitis_b pathway. l-aspartic_acid hepatitis_b GAP_LOW 0.1116 0.0 mitiglinide Low-priority: Computational docking l-aspartic_acid vs hepatitis_b targets. Cross-check l-aspartic_acid pharmacophore against hepatitis_b pathway. l-ornithine hepatitis_b GAP_LOW 0.1116 0.0 mitiglinide Low-priority: Computational docking l-ornithine vs hepatitis_b targets. Cross-check l-ornithine pharmacophore against hepatitis_b pathway. linaclotide hepatitis_b GAP_LOW 0.1116 0.0 mitiglinide Low-priority: Computational docking linaclotide vs hepatitis_b targets. Cross-check linaclotide pharmacophore against hepatitis_b pathway. moricizine pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking moricizine vs pagets_disease_of_bone targets. Cross-check moricizine pharmacophore against pagets_disease_of_bone pathway. prednisone pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking prednisone vs pagets_disease_of_bone targets. Cross-check prednisone pharmacophore against pagets_disease_of_bone pathway. propranolol pagets_disease_of_bone GAP_LOW 0.1116 0.0 ibandronate Low-priority: Computational docking propranolol vs pagets_disease_of_bone targets. Cross-check propranolol pharmacophore against pagets_disease_of_bone pathway. loperamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1115 0.3333333333333333 diethylstilbestrol High-priority: Binding assay loperamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diethylstilbestrol (Jaccard=0.33) progesterone malignant_mesothelioma GAP_HIGH 0.1115 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) isopropamide salivary_gland_cancer GAP_HIGH 0.1115 0.2631578947368421 phenylbutazone High-priority: Binding assay isopropamide→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.26) prednisolone endogenous_depression GAP_HIGH 0.1115 0.25 homatropine_methylbromide High-priority: Binding assay prednisolone→?; validate in endogenous_depression cell model. Expected: similar to homatropine_methylbromide (Jaccard=0.25) fosphenytoin rectum_cancer GAP_HIGH 0.1115 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in rectum_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) diethylstilbestrol celiac_disease GAP_HIGH 0.1115 0.23076923076923078 diphenhydramine High-priority: Binding assay diethylstilbestrol→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.23) etoricoxib hepatitis_b GAP_HIGH 0.1115 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.22) adenosine_triphosphate sclerosing_cholangitis GAP_HIGH 0.1115 0.2 cladribine High-priority: Binding assay adenosine_triphosphate→?; validate in sclerosing_cholangitis cell model. Expected: similar to cladribine (Jaccard=0.20) clobazam thymus_cancer GAP_HIGH 0.1115 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) glucosamine autistic_disorder GAP_HIGH 0.1115 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) glucosamine nicotine_dependence GAP_HIGH 0.1115 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.20) podofilox creutzfeldt-jakob_disease GAP_HIGH 0.1115 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to thioridazine (Jaccard=0.20) teniposide systemic_scleroderma GAP_HIGH 0.1115 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in systemic_scleroderma cell model. Expected: similar to epirubicin (Jaccard=0.20) diethylpropion rectum_cancer GAP_HIGH 0.1115 0.18181818181818182 methylphenidate High-priority: Binding assay diethylpropion→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.18) methamphetamine esophageal_cancer GAP_HIGH 0.1115 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) chlorphenesin urinary_bladder_cancer GAP_HIGH 0.1115 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in urinary_bladder_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) danazol autistic_disorder GAP_HIGH 0.1115 0.16666666666666666 l-arginine High-priority: Binding assay danazol→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) indapamide sarcoma GAP_HIGH 0.1115 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in sarcoma cell model. Expected: similar to diclofenamide (Jaccard=0.17) pamidronate duodenum_cancer GAP_HIGH 0.1115 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in duodenum_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.17) pamidronate gallbladder_cancer GAP_HIGH 0.1115 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in gallbladder_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.17) sulfapyridine esophageal_cancer GAP_HIGH 0.1115 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) pimozide crohns_disease GAP_HIGH 0.1115 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in crohns_disease cell model. Expected: similar to fentanyl (Jaccard=0.16) olanzapine crohns_disease GAP_HIGH 0.1115 0.15384615384615385 pirenzepine High-priority: Binding assay olanzapine→?; validate in crohns_disease cell model. Expected: similar to pirenzepine (Jaccard=0.15) chlorthalidone pharynx_cancer GAP_LOW 0.1115 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs pharynx_cancer targets. Cross-check chlorthalidone pharmacophore against pharynx_cancer pathway. hydromorphone lung_cancer GAP_LOW 0.1115 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs lung_cancer targets. Cross-check hydromorphone pharmacophore against lung_cancer pathway. hydromorphone rectum_cancer GAP_LOW 0.1115 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs rectum_cancer targets. Cross-check hydromorphone pharmacophore against rectum_cancer pathway. telmisartan peripheral_nervous_system_neoplasm GAP_LOW 0.1115 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs peripheral_nervous_system_neoplasm targets. Cross-check telmisartan pharmacophore against peripheral_nervous_system_neoplasm pathway. telmisartan urinary_bladder_cancer GAP_LOW 0.1115 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs urinary_bladder_cancer targets. Cross-check telmisartan pharmacophore against urinary_bladder_cancer pathway. ziprasidone thyroid_cancer GAP_LOW 0.1115 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs thyroid_cancer targets. Cross-check ziprasidone pharmacophore against thyroid_cancer pathway. adenine focal_segmental_glomerulosclerosis GAP_LOW 0.1115 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs focal_segmental_glomerulosclerosis targets. Cross-check adenine pharmacophore against focal_segmental_glomerulosclerosis pathway. dapsone asthma GAP_LOW 0.1115 0.125 nateglinide Low-priority: Computational docking dapsone vs asthma targets. Cross-check dapsone pharmacophore against asthma pathway. telmisartan crohns_disease GAP_LOW 0.1115 0.125 cinnarizine Low-priority: Computational docking telmisartan vs crohns_disease targets. Cross-check telmisartan pharmacophore against crohns_disease pathway. tolmetin alopecia_areata GAP_LOW 0.1115 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs alopecia_areata targets. Cross-check tolmetin pharmacophore against alopecia_areata pathway. ziprasidone penile_cancer GAP_LOW 0.1115 0.125 alendronate Low-priority: Computational docking ziprasidone vs penile_cancer targets. Cross-check ziprasidone pharmacophore against penile_cancer pathway. abacavir meningioma GAP_LOW 0.1115 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs meningioma targets. Cross-check abacavir pharmacophore against meningioma pathway. hydromorphone intracranial_aneurysm GAP_LOW 0.1115 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs intracranial_aneurysm targets. Cross-check hydromorphone pharmacophore against intracranial_aneurysm pathway. adinazolam penile_cancer GAP_LOW 0.1115 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs penile_cancer targets. Cross-check adinazolam pharmacophore against penile_cancer pathway. azacitidine germ_cell_cancer GAP_LOW 0.1115 0.10526315789473684 gemcitabine Low-priority: Computational docking azacitidine vs germ_cell_cancer targets. Cross-check azacitidine pharmacophore against germ_cell_cancer pathway. tretinoin glaucoma GAP_LOW 0.1115 0.1 choline Low-priority: Computational docking tretinoin vs glaucoma targets. Cross-check tretinoin pharmacophore against glaucoma pathway. alvimopan gestational_diabetes GAP_LOW 0.1115 0.09090909090909091 glimepiride Low-priority: Computational docking alvimopan vs gestational_diabetes targets. Cross-check alvimopan pharmacophore against gestational_diabetes pathway. metolazone primary_biliary_cirrhosis GAP_LOW 0.1115 0.09090909090909091 etoricoxib Low-priority: Computational docking metolazone vs primary_biliary_cirrhosis targets. Cross-check metolazone pharmacophore against primary_biliary_cirrhosis pathway. nabumetone schizophrenia GAP_LOW 0.1115 0.09090909090909091 hydromorphone Low-priority: Computational docking nabumetone vs schizophrenia targets. Cross-check nabumetone pharmacophore against schizophrenia pathway. zafirlukast refractive_error GAP_LOW 0.1115 0.08695652173913043 sotalol Low-priority: Computational docking zafirlukast vs refractive_error targets. Cross-check zafirlukast pharmacophore against refractive_error pathway. codeine refractive_error GAP_LOW 0.1115 0.07692307692307693 decamethonium Low-priority: Computational docking codeine vs refractive_error targets. Cross-check codeine pharmacophore against refractive_error pathway. indomethacin brain_cancer GAP_LOW 0.1115 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs brain_cancer targets. Cross-check indomethacin pharmacophore against brain_cancer pathway. indomethacin intracranial_aneurysm GAP_LOW 0.1115 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs intracranial_aneurysm targets. Cross-check indomethacin pharmacophore against intracranial_aneurysm pathway. mepyramine acquired_immunodeficiency_syndrome GAP_LOW 0.1115 0.07692307692307693 lisinopril Low-priority: Computational docking mepyramine vs acquired_immunodeficiency_syndrome targets. Cross-check mepyramine pharmacophore against acquired_immunodeficiency_syndrome pathway. gliclazide membranous_glomerulonephritis GAP_LOW 0.1115 0.07142857142857142 aciclovir Low-priority: Computational docking gliclazide vs membranous_glomerulonephritis targets. Cross-check gliclazide pharmacophore against membranous_glomerulonephritis pathway. l-cysteine crohns_disease GAP_LOW 0.1115 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs crohns_disease targets. Cross-check l-cysteine pharmacophore against crohns_disease pathway. l-citrulline focal_segmental_glomerulosclerosis GAP_LOW 0.1115 0.018867924528301886 thioridazine Low-priority: Computational docking l-citrulline vs focal_segmental_glomerulosclerosis targets. Cross-check l-citrulline pharmacophore against focal_segmental_glomerulosclerosis pathway. acetic_acid malaria GAP_LOW 0.1115 0.0 ethotoin Low-priority: Computational docking acetic_acid vs malaria targets. Cross-check acetic_acid pharmacophore against malaria pathway. allylestrenol leprosy GAP_LOW 0.1115 0.0 sulfapyridine Low-priority: Computational docking allylestrenol vs leprosy targets. Cross-check allylestrenol pharmacophore against leprosy pathway. clofarabine leprosy GAP_LOW 0.1115 0.0 sulfapyridine Low-priority: Computational docking clofarabine vs leprosy targets. Cross-check clofarabine pharmacophore against leprosy pathway. conivaptan celiac_disease GAP_LOW 0.1115 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs celiac_disease targets. Cross-check conivaptan pharmacophore against celiac_disease pathway. doxylamine leprosy GAP_LOW 0.1115 0.0 sulfapyridine Low-priority: Computational docking doxylamine vs leprosy targets. Cross-check doxylamine pharmacophore against leprosy pathway. quinestrol malaria GAP_LOW 0.1115 0.0 ethotoin Low-priority: Computational docking quinestrol vs malaria targets. Cross-check quinestrol pharmacophore against malaria pathway. selegiline leprosy GAP_LOW 0.1115 0.0 sulfapyridine Low-priority: Computational docking selegiline vs leprosy targets. Cross-check selegiline pharmacophore against leprosy pathway. tolazoline leprosy GAP_LOW 0.1115 0.0 sulfapyridine Low-priority: Computational docking tolazoline vs leprosy targets. Cross-check tolazoline pharmacophore against leprosy pathway. ethopropazine crohns_disease GAP_HIGH 0.1114 0.3333333333333333 trimipramine High-priority: Binding assay ethopropazine→?; validate in crohns_disease cell model. Expected: similar to trimipramine (Jaccard=0.33) zuclopenthixol urinary_bladder_cancer GAP_HIGH 0.1114 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.32) propiomazine mediastinal_cancer GAP_HIGH 0.1114 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in mediastinal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) propiomazine primary_biliary_cirrhosis GAP_HIGH 0.1114 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.25) chlordiazepoxide kidney_cancer GAP_HIGH 0.1114 0.2413793103448276 quinacrine High-priority: Binding assay chlordiazepoxide→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.24) epirubicin metabolic_syndrome_x GAP_HIGH 0.1114 0.2 nitroglycerin High-priority: Binding assay epirubicin→?; validate in metabolic_syndrome_x cell model. Expected: similar to nitroglycerin (Jaccard=0.20) lidocaine psoriasis GAP_HIGH 0.1114 0.1875 sulfanilamide High-priority: Binding assay lidocaine→?; validate in psoriasis cell model. Expected: similar to sulfanilamide (Jaccard=0.19) cinolazepam skin_cancer GAP_HIGH 0.1114 0.18518518518518517 flurbiprofen High-priority: Binding assay cinolazepam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.19) lisinopril membranous_glomerulonephritis GAP_HIGH 0.1114 0.18181818181818182 alvimopan High-priority: Binding assay lisinopril→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alvimopan (Jaccard=0.18) allylestrenol panic_disorder GAP_LOW 0.1114 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs panic_disorder targets. Cross-check allylestrenol pharmacophore against panic_disorder pathway. allylestrenol schizophrenia GAP_LOW 0.1114 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs schizophrenia targets. Cross-check allylestrenol pharmacophore against schizophrenia pathway. naloxone restless_legs_syndrome GAP_LOW 0.1114 0.14285714285714285 bromazepam Low-priority: Computational docking naloxone vs restless_legs_syndrome targets. Cross-check naloxone pharmacophore against restless_legs_syndrome pathway. telmisartan attention_deficit_hyperactivity_disorder GAP_LOW 0.1114 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs attention_deficit_hyperactivity_disorder targets. Cross-check telmisartan pharmacophore against attention_deficit_hyperactivity_disorder pathway. dapsone atopic_dermatitis GAP_LOW 0.1114 0.125 nateglinide Low-priority: Computational docking dapsone vs atopic_dermatitis targets. Cross-check dapsone pharmacophore against atopic_dermatitis pathway. proparacaine duodenum_cancer GAP_LOW 0.1114 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs duodenum_cancer targets. Cross-check proparacaine pharmacophore against duodenum_cancer pathway. proparacaine gallbladder_cancer GAP_LOW 0.1114 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs gallbladder_cancer targets. Cross-check proparacaine pharmacophore against gallbladder_cancer pathway. alprazolam glaucoma GAP_LOW 0.1114 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs glaucoma targets. Cross-check alprazolam pharmacophore against glaucoma pathway. dasatinib membranous_glomerulonephritis GAP_LOW 0.1114 0.1 adefovir_dipivoxil Low-priority: Computational docking dasatinib vs membranous_glomerulonephritis targets. Cross-check dasatinib pharmacophore against membranous_glomerulonephritis pathway. melatonin pharynx_cancer GAP_LOW 0.1114 0.1 dexamethasone Low-priority: Computational docking melatonin vs pharynx_cancer targets. Cross-check melatonin pharmacophore against pharynx_cancer pathway. propafenone gestational_diabetes GAP_LOW 0.1114 0.09523809523809523 tolazamide Low-priority: Computational docking propafenone vs gestational_diabetes targets. Cross-check propafenone pharmacophore against gestational_diabetes pathway. sulfamethizole atherosclerosis GAP_LOW 0.1114 0.09523809523809523 phenelzine Low-priority: Computational docking sulfamethizole vs atherosclerosis targets. Cross-check sulfamethizole pharmacophore against atherosclerosis pathway. proparacaine esophageal_cancer GAP_LOW 0.1114 0.07692307692307693 topotecan Low-priority: Computational docking proparacaine vs esophageal_cancer targets. Cross-check proparacaine pharmacophore against esophageal_cancer pathway. halazepam hematologic_cancer GAP_LOW 0.1114 0.07407407407407407 chlorcyclizine Low-priority: Computational docking halazepam vs hematologic_cancer targets. Cross-check halazepam pharmacophore against hematologic_cancer pathway. azatadine leprosy GAP_LOW 0.1114 0.0625 sulfamethizole Low-priority: Computational docking azatadine vs leprosy targets. Cross-check azatadine pharmacophore against leprosy pathway. l-citrulline crohns_disease GAP_LOW 0.1114 0.05263157894736842 adenine Low-priority: Computational docking l-citrulline vs crohns_disease targets. Cross-check l-citrulline pharmacophore against crohns_disease pathway. agomelatine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking agomelatine vs bone_cancer targets. Cross-check agomelatine pharmacophore against bone_cancer pathway. benzocaine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking benzocaine vs bone_cancer targets. Cross-check benzocaine pharmacophore against bone_cancer pathway. benzocaine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking benzocaine vs gestational_diabetes targets. Cross-check benzocaine pharmacophore against gestational_diabetes pathway. calcium_acetate esophageal_cancer GAP_LOW 0.1114 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs esophageal_cancer targets. Cross-check calcium_acetate pharmacophore against esophageal_cancer pathway. cinchocaine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking cinchocaine vs bone_cancer targets. Cross-check cinchocaine pharmacophore against bone_cancer pathway. clonazepam gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking clonazepam vs gestational_diabetes targets. Cross-check clonazepam pharmacophore against gestational_diabetes pathway. clotiazepam bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking clotiazepam vs bone_cancer targets. Cross-check clotiazepam pharmacophore against bone_cancer pathway. clotiazepam gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking clotiazepam vs gestational_diabetes targets. Cross-check clotiazepam pharmacophore against gestational_diabetes pathway. conivaptan chronic_kidney_failure GAP_LOW 0.1114 0.0 cinolazepam Low-priority: Computational docking conivaptan vs chronic_kidney_failure targets. Cross-check conivaptan pharmacophore against chronic_kidney_failure pathway. dobutamine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking dobutamine vs bone_cancer targets. Cross-check dobutamine pharmacophore against bone_cancer pathway. dobutamine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking dobutamine vs gestational_diabetes targets. Cross-check dobutamine pharmacophore against gestational_diabetes pathway. isoetarine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking isoetarine vs bone_cancer targets. Cross-check isoetarine pharmacophore against bone_cancer pathway. isoetarine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking isoetarine vs gestational_diabetes targets. Cross-check isoetarine pharmacophore against gestational_diabetes pathway. l-glutamine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking l-glutamine vs bone_cancer targets. Cross-check l-glutamine pharmacophore against bone_cancer pathway. lenalidomide bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking lenalidomide vs bone_cancer targets. Cross-check lenalidomide pharmacophore against bone_cancer pathway. lenalidomide gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking lenalidomide vs gestational_diabetes targets. Cross-check lenalidomide pharmacophore against gestational_diabetes pathway. lercanidipine esophageal_cancer GAP_LOW 0.1114 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs esophageal_cancer targets. Cross-check lercanidipine pharmacophore against esophageal_cancer pathway. mephentermine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking mephentermine vs bone_cancer targets. Cross-check mephentermine pharmacophore against bone_cancer pathway. mephentermine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking mephentermine vs gestational_diabetes targets. Cross-check mephentermine pharmacophore against gestational_diabetes pathway. nelarabine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking nelarabine vs gestational_diabetes targets. Cross-check nelarabine pharmacophore against gestational_diabetes pathway. nimodipine esophageal_cancer GAP_LOW 0.1114 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs esophageal_cancer targets. Cross-check nimodipine pharmacophore against esophageal_cancer pathway. proparacaine bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking proparacaine vs bone_cancer targets. Cross-check proparacaine pharmacophore against bone_cancer pathway. proparacaine gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking proparacaine vs gestational_diabetes targets. Cross-check proparacaine pharmacophore against gestational_diabetes pathway. sulfanilamide bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking sulfanilamide vs bone_cancer targets. Cross-check sulfanilamide pharmacophore against bone_cancer pathway. tenofovir bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking tenofovir vs bone_cancer targets. Cross-check tenofovir pharmacophore against bone_cancer pathway. tenofovir gestational_diabetes GAP_LOW 0.1114 0.0 tolazamide Low-priority: Computational docking tenofovir vs gestational_diabetes targets. Cross-check tenofovir pharmacophore against gestational_diabetes pathway. zolpidem bone_cancer GAP_LOW 0.1114 0.0 ibandronate Low-priority: Computational docking zolpidem vs bone_cancer targets. Cross-check zolpidem pharmacophore against bone_cancer pathway. loperamide ankylosing_spondylitis GAP_HIGH 0.1113 0.3448275862068966 methadone High-priority: Binding assay loperamide→?; validate in ankylosing_spondylitis cell model. Expected: similar to methadone (Jaccard=0.34) thiothixene malignant_mesothelioma GAP_HIGH 0.1113 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in malignant_mesothelioma cell model. Expected: similar to ethopropazine (Jaccard=0.33) etoricoxib narcolepsy GAP_HIGH 0.1113 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in narcolepsy cell model. Expected: similar to ritodrine (Jaccard=0.27) mazindol celiac_disease GAP_HIGH 0.1113 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) indecainide vaginal_cancer GAP_HIGH 0.1113 0.25 metipranolol High-priority: Binding assay indecainide→?; validate in vaginal_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) indecainide vulva_cancer GAP_HIGH 0.1113 0.25 metipranolol High-priority: Binding assay indecainide→?; validate in vulva_cancer cell model. Expected: similar to metipranolol (Jaccard=0.25) propiomazine thymus_cancer GAP_HIGH 0.1113 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in thymus_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) fosphenytoin liver_cancer GAP_HIGH 0.1113 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in liver_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) clonidine hematologic_cancer GAP_HIGH 0.1113 0.23076923076923078 salicylic_acid High-priority: Binding assay clonidine→?; validate in hematologic_cancer cell model. Expected: similar to salicylic_acid (Jaccard=0.23) epirubicin osteoarthritis GAP_HIGH 0.1113 0.2 amsacrine High-priority: Binding assay epirubicin→?; validate in osteoarthritis cell model. Expected: similar to amsacrine (Jaccard=0.20) nitrazepam gout GAP_HIGH 0.1113 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in gout cell model. Expected: similar to practolol (Jaccard=0.18) cyproterone_acetate creutzfeldt-jakob_disease GAP_HIGH 0.1113 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) danazol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1113 0.16666666666666666 l-arginine High-priority: Binding assay danazol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.17) allylestrenol conduct_disorder GAP_LOW 0.1113 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs conduct_disorder targets. Cross-check allylestrenol pharmacophore against conduct_disorder pathway. hydromorphone liver_cancer GAP_LOW 0.1113 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs liver_cancer targets. Cross-check hydromorphone pharmacophore against liver_cancer pathway. lenalidomide ovarian_cancer GAP_LOW 0.1113 0.14285714285714285 orciprenaline Low-priority: Computational docking lenalidomide vs ovarian_cancer targets. Cross-check lenalidomide pharmacophore against ovarian_cancer pathway. tolmetin refractive_error GAP_LOW 0.1113 0.14285714285714285 epinephrine Low-priority: Computational docking tolmetin vs refractive_error targets. Cross-check tolmetin pharmacophore against refractive_error pathway. adenine gilles_de_la_tourette_syndrome GAP_LOW 0.1113 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs gilles_de_la_tourette_syndrome targets. Cross-check adenine pharmacophore against gilles_de_la_tourette_syndrome pathway. ethotoin meningioma GAP_LOW 0.1113 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs meningioma targets. Cross-check ethotoin pharmacophore against meningioma pathway. dapsone allergic_rhinitis GAP_LOW 0.1113 0.125 nateglinide Low-priority: Computational docking dapsone vs allergic_rhinitis targets. Cross-check dapsone pharmacophore against allergic_rhinitis pathway. ziprasidone malignant_mesothelioma GAP_LOW 0.1113 0.125 alendronate Low-priority: Computational docking ziprasidone vs malignant_mesothelioma targets. Cross-check ziprasidone pharmacophore against malignant_mesothelioma pathway. phenylephrine meningioma GAP_LOW 0.1113 0.11764705882352941 ifenprodil Low-priority: Computational docking phenylephrine vs meningioma targets. Cross-check phenylephrine pharmacophore against meningioma pathway. droperidol celiac_disease GAP_LOW 0.1113 0.11538461538461539 chlorcyclizine Low-priority: Computational docking droperidol vs celiac_disease targets. Cross-check droperidol pharmacophore against celiac_disease pathway. dasatinib idiopathic_pulmonary_fibrosis GAP_LOW 0.1113 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs idiopathic_pulmonary_fibrosis targets. Cross-check dasatinib pharmacophore against idiopathic_pulmonary_fibrosis pathway. phenylephrine germ_cell_cancer GAP_LOW 0.1113 0.1111111111111111 topotecan Low-priority: Computational docking phenylephrine vs germ_cell_cancer targets. Cross-check phenylephrine pharmacophore against germ_cell_cancer pathway. theophylline type_2_diabetes_mellitus GAP_LOW 0.1113 0.1 nitrazepam Low-priority: Computational docking theophylline vs type_2_diabetes_mellitus targets. Cross-check theophylline pharmacophore against type_2_diabetes_mellitus pathway. terlipressin hypertension GAP_LOW 0.1113 0.07142857142857142 ergocalciferol Low-priority: Computational docking terlipressin vs hypertension targets. Cross-check terlipressin pharmacophore against hypertension pathway. l-citrulline idiopathic_pulmonary_fibrosis GAP_LOW 0.1113 0.05454545454545454 epinephrine Low-priority: Computational docking l-citrulline vs idiopathic_pulmonary_fibrosis targets. Cross-check l-citrulline pharmacophore against idiopathic_pulmonary_fibrosis pathway. loperamide gout GAP_HIGH 0.1112 0.3333333333333333 promazine High-priority: Binding assay loperamide→?; validate in gout cell model. Expected: similar to promazine (Jaccard=0.33) warfarin salivary_gland_cancer GAP_HIGH 0.1112 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) tiaprofenic_acid uterine_fibroid GAP_HIGH 0.1112 0.3 salsalate High-priority: Binding assay tiaprofenic_acid→?; validate in uterine_fibroid cell model. Expected: similar to salsalate (Jaccard=0.30) flurbiprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.1112 0.2962962962962963 atenolol High-priority: Binding assay flurbiprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atenolol (Jaccard=0.30) loxapine urinary_bladder_cancer GAP_HIGH 0.1112 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) isopropamide ocular_cancer GAP_HIGH 0.1112 0.2631578947368421 phenylbutazone High-priority: Binding assay isopropamide→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.26) diazepam muscle_cancer GAP_HIGH 0.1112 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in muscle_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) cinnarizine testicular_cancer GAP_HIGH 0.1112 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in testicular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) aprindine pharynx_cancer GAP_HIGH 0.1112 0.2222222222222222 aspartame High-priority: Binding assay aprindine→?; validate in pharynx_cancer cell model. Expected: similar to aspartame (Jaccard=0.22) docetaxel nicotine_dependence GAP_HIGH 0.1112 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.22) aprindine meningioma GAP_HIGH 0.1112 0.20833333333333334 methadone High-priority: Binding assay aprindine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.21) glucosamine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1112 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) estradiol_valeratedienogest azoospermia GAP_HIGH 0.1112 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in azoospermia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) imipramine melanoma GAP_HIGH 0.1112 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in melanoma cell model. Expected: similar to vincristine (Jaccard=0.17) allylestrenol bipolar_disorder GAP_LOW 0.1112 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs bipolar_disorder targets. Cross-check allylestrenol pharmacophore against bipolar_disorder pathway. conjugated_estrogens obesity GAP_LOW 0.1112 0.14285714285714285 drospirenone Low-priority: Computational docking conjugated_estrogens vs obesity targets. Cross-check conjugated_estrogens pharmacophore against obesity pathway. ziprasidone salivary_gland_cancer GAP_LOW 0.1112 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs salivary_gland_cancer targets. Cross-check ziprasidone pharmacophore against salivary_gland_cancer pathway. pemetrexed crohns_disease GAP_LOW 0.1112 0.125 sorafenib Low-priority: Computational docking pemetrexed vs crohns_disease targets. Cross-check pemetrexed pharmacophore against crohns_disease pathway. salbutamol azoospermia GAP_LOW 0.1112 0.125 indecainide Low-priority: Computational docking salbutamol vs azoospermia targets. Cross-check salbutamol pharmacophore against azoospermia pathway. flurazepam membranous_glomerulonephritis GAP_LOW 0.1112 0.11764705882352941 chlorthalidone Low-priority: Computational docking flurazepam vs membranous_glomerulonephritis targets. Cross-check flurazepam pharmacophore against membranous_glomerulonephritis pathway. adinazolam malignant_mesothelioma GAP_LOW 0.1112 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs malignant_mesothelioma targets. Cross-check adinazolam pharmacophore against malignant_mesothelioma pathway. calcitriol azoospermia GAP_LOW 0.1112 0.09090909090909091 salicylate-sodium Low-priority: Computational docking calcitriol vs azoospermia targets. Cross-check calcitriol pharmacophore against azoospermia pathway. nabumetone pancreatic_cancer GAP_LOW 0.1112 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs pancreatic_cancer targets. Cross-check nabumetone pharmacophore against pancreatic_cancer pathway. telbivudine psoriasis GAP_LOW 0.1112 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking telbivudine vs psoriasis targets. Cross-check telbivudine pharmacophore against psoriasis pathway. tolbutamide rectum_cancer GAP_LOW 0.1112 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs rectum_cancer targets. Cross-check tolbutamide pharmacophore against rectum_cancer pathway. midodrine melanoma GAP_LOW 0.1112 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs melanoma targets. Cross-check midodrine pharmacophore against melanoma pathway. ponatinib focal_segmental_glomerulosclerosis GAP_LOW 0.1112 0.07142857142857142 tamsulosin Low-priority: Computational docking ponatinib vs focal_segmental_glomerulosclerosis targets. Cross-check ponatinib pharmacophore against focal_segmental_glomerulosclerosis pathway. felypressin chronic_obstructive_pulmonary_disease GAP_LOW 0.1112 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs chronic_obstructive_pulmonary_disease targets. Cross-check felypressin pharmacophore against chronic_obstructive_pulmonary_disease pathway. terlipressin chronic_obstructive_pulmonary_disease GAP_LOW 0.1112 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs chronic_obstructive_pulmonary_disease targets. Cross-check terlipressin pharmacophore against chronic_obstructive_pulmonary_disease pathway. l-asparagine prostate_cancer GAP_LOW 0.1112 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs prostate_cancer targets. Cross-check l-asparagine pharmacophore against prostate_cancer pathway. candesartan meningioma GAP_LOW 0.1112 0.0 hydrocortisone Low-priority: Computational docking candesartan vs meningioma targets. Cross-check candesartan pharmacophore against meningioma pathway. levorphanol pagets_disease_of_bone GAP_LOW 0.1112 0.0 ibandronate Low-priority: Computational docking levorphanol vs pagets_disease_of_bone targets. Cross-check levorphanol pharmacophore against pagets_disease_of_bone pathway. mannitol meningioma GAP_LOW 0.1112 0.0 hydrocortisone Low-priority: Computational docking mannitol vs meningioma targets. Cross-check mannitol pharmacophore against meningioma pathway. pravastatin meningioma GAP_LOW 0.1112 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs meningioma targets. Cross-check pravastatin pharmacophore against meningioma pathway. propiomazine pagets_disease_of_bone GAP_LOW 0.1112 0.0 ibandronate Low-priority: Computational docking propiomazine vs pagets_disease_of_bone targets. Cross-check propiomazine pharmacophore against pagets_disease_of_bone pathway. raloxifene pagets_disease_of_bone GAP_LOW 0.1112 0.0 ibandronate Low-priority: Computational docking raloxifene vs pagets_disease_of_bone targets. Cross-check raloxifene pharmacophore against pagets_disease_of_bone pathway. tauroursodeoxycholic_acid meningioma GAP_LOW 0.1112 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs meningioma targets. Cross-check tauroursodeoxycholic_acid pharmacophore against meningioma pathway. tiaprofenic_acid pagets_disease_of_bone GAP_LOW 0.1112 0.0 ibandronate Low-priority: Computational docking tiaprofenic_acid vs pagets_disease_of_bone targets. Cross-check tiaprofenic_acid pharmacophore against pagets_disease_of_bone pathway. zuclopenthixol pagets_disease_of_bone GAP_LOW 0.1112 0.0 ibandronate Low-priority: Computational docking zuclopenthixol vs pagets_disease_of_bone targets. Cross-check zuclopenthixol pharmacophore against pagets_disease_of_bone pathway. mazindol skin_cancer GAP_HIGH 0.1111 0.3170731707317073 methdilazine High-priority: Binding assay mazindol→?; validate in skin_cancer cell model. Expected: similar to methdilazine (Jaccard=0.32) methyldopa thyroid_cancer GAP_HIGH 0.1111 0.3 l-dopa High-priority: Binding assay methyldopa→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.30) azelastine urinary_bladder_cancer GAP_HIGH 0.1111 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) propranolol gilles_de_la_tourette_syndrome GAP_HIGH 0.1111 0.25 butenafine High-priority: Binding assay propranolol→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to butenafine (Jaccard=0.25) cinnarizine vascular_cancer GAP_HIGH 0.1111 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in vascular_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.23) teniposide type_2_diabetes_mellitus GAP_HIGH 0.1111 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to epirubicin (Jaccard=0.20) vismodegib refractive_error GAP_HIGH 0.1111 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in refractive_error cell model. Expected: similar to droxidopa (Jaccard=0.19) sulfadiazine pharynx_cancer GAP_HIGH 0.1111 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in pharynx_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) indapamide skin_cancer GAP_HIGH 0.1111 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in skin_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) pamidronate creutzfeldt-jakob_disease GAP_HIGH 0.1111 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate sclerosing_cholangitis GAP_HIGH 0.1111 0.16666666666666666 propantheline High-priority: Binding assay pamidronate→?; validate in sclerosing_cholangitis cell model. Expected: similar to propantheline (Jaccard=0.17) fluorometholone atherosclerosis GAP_HIGH 0.1111 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in atherosclerosis cell model. Expected: similar to floctafenine (Jaccard=0.15) olanzapine prostate_cancer GAP_HIGH 0.1111 0.15384615384615385 pirenzepine High-priority: Binding assay olanzapine→?; validate in prostate_cancer cell model. Expected: similar to pirenzepine (Jaccard=0.15) allylestrenol endogenous_depression GAP_LOW 0.1111 0.14285714285714285 bifonazole Low-priority: Computational docking allylestrenol vs endogenous_depression targets. Cross-check allylestrenol pharmacophore against endogenous_depression pathway. etonogestrel creutzfeldt-jakob_disease GAP_LOW 0.1111 0.14285714285714285 raloxifene Low-priority: Computational docking etonogestrel vs creutzfeldt-jakob_disease targets. Cross-check etonogestrel pharmacophore against creutzfeldt-jakob_disease pathway. telmisartan conduct_disorder GAP_LOW 0.1111 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs conduct_disorder targets. Cross-check telmisartan pharmacophore against conduct_disorder pathway. telmisartan panic_disorder GAP_LOW 0.1111 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs panic_disorder targets. Cross-check telmisartan pharmacophore against panic_disorder pathway. tretinoin polycystic_ovary_syndrome GAP_LOW 0.1111 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs polycystic_ovary_syndrome targets. Cross-check tretinoin pharmacophore against polycystic_ovary_syndrome pathway. tretinoin type_2_diabetes_mellitus GAP_LOW 0.1111 0.14285714285714285 vincristine Low-priority: Computational docking tretinoin vs type_2_diabetes_mellitus targets. Cross-check tretinoin pharmacophore against type_2_diabetes_mellitus pathway. doxorubicin dilated_cardiomyopathy GAP_LOW 0.1111 0.11764705882352941 trandolapril Low-priority: Computational docking doxorubicin vs dilated_cardiomyopathy targets. Cross-check doxorubicin pharmacophore against dilated_cardiomyopathy pathway. chlorpropamide muscle_cancer GAP_LOW 0.1111 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs muscle_cancer targets. Cross-check chlorpropamide pharmacophore against muscle_cancer pathway. cinchocaine malignant_mesothelioma GAP_LOW 0.1111 0.1111111111111111 warfarin Low-priority: Computational docking cinchocaine vs malignant_mesothelioma targets. Cross-check cinchocaine pharmacophore against malignant_mesothelioma pathway. pargyline gestational_diabetes GAP_LOW 0.1111 0.1111111111111111 glipizide Low-priority: Computational docking pargyline vs gestational_diabetes targets. Cross-check pargyline pharmacophore against gestational_diabetes pathway. topotecan dilated_cardiomyopathy GAP_LOW 0.1111 0.1 trandolapril Low-priority: Computational docking topotecan vs dilated_cardiomyopathy targets. Cross-check topotecan pharmacophore against dilated_cardiomyopathy pathway. nabumetone multiple_sclerosis GAP_LOW 0.1111 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs multiple_sclerosis targets. Cross-check nabumetone pharmacophore against multiple_sclerosis pathway. ergocalciferol intracranial_aneurysm GAP_LOW 0.1111 0.08333333333333333 spironolactone Low-priority: Computational docking ergocalciferol vs intracranial_aneurysm targets. Cross-check ergocalciferol pharmacophore against intracranial_aneurysm pathway. ritodrine alopecia_areata GAP_LOW 0.1111 0.08333333333333333 estrone Low-priority: Computational docking ritodrine vs alopecia_areata targets. Cross-check ritodrine pharmacophore against alopecia_areata pathway. midodrine lung_cancer GAP_LOW 0.1111 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs lung_cancer targets. Cross-check midodrine pharmacophore against lung_cancer pathway. midodrine rectum_cancer GAP_LOW 0.1111 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs rectum_cancer targets. Cross-check midodrine pharmacophore against rectum_cancer pathway. nabumetone melanoma GAP_LOW 0.1111 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs melanoma targets. Cross-check nabumetone pharmacophore against melanoma pathway. dyphylline narcolepsy GAP_LOW 0.1111 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs narcolepsy targets. Cross-check dyphylline pharmacophore against narcolepsy pathway. emtricitabine metabolic_syndrome_x GAP_LOW 0.1111 0.07142857142857142 lidocaine Low-priority: Computational docking emtricitabine vs metabolic_syndrome_x targets. Cross-check emtricitabine pharmacophore against metabolic_syndrome_x pathway. mefenamic_acid leprosy GAP_LOW 0.1111 0.06896551724137931 sulfapyridine Low-priority: Computational docking mefenamic_acid vs leprosy targets. Cross-check mefenamic_acid pharmacophore against leprosy pathway. dyphylline meningioma GAP_LOW 0.1111 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs meningioma targets. Cross-check dyphylline pharmacophore against meningioma pathway. lapatinib gestational_diabetes GAP_LOW 0.1111 0.06666666666666667 gliclazide Low-priority: Computational docking lapatinib vs gestational_diabetes targets. Cross-check lapatinib pharmacophore against gestational_diabetes pathway. terlipressin epilepsy_syndrome GAP_LOW 0.1111 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs epilepsy_syndrome targets. Cross-check terlipressin pharmacophore against epilepsy_syndrome pathway. l-cysteine idiopathic_pulmonary_fibrosis GAP_LOW 0.1111 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs idiopathic_pulmonary_fibrosis targets. Cross-check l-cysteine pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-methionine head_and_neck_cancer GAP_LOW 0.1111 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs head_and_neck_cancer targets. Cross-check l-methionine pharmacophore against head_and_neck_cancer pathway. l-methionine malignant_glioma GAP_LOW 0.1111 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs malignant_glioma targets. Cross-check l-methionine pharmacophore against malignant_glioma pathway. l-citrulline gilles_de_la_tourette_syndrome GAP_LOW 0.1111 0.01694915254237288 trifluoperazine Low-priority: Computational docking l-citrulline vs gilles_de_la_tourette_syndrome targets. Cross-check l-citrulline pharmacophore against gilles_de_la_tourette_syndrome pathway. dapsone dilated_cardiomyopathy GAP_LOW 0.1111 0.0 hydrocortisone Low-priority: Computational docking dapsone vs dilated_cardiomyopathy targets. Cross-check dapsone pharmacophore against dilated_cardiomyopathy pathway. emtricitabine dilated_cardiomyopathy GAP_LOW 0.1111 0.0 hydrocortisone Low-priority: Computational docking emtricitabine vs dilated_cardiomyopathy targets. Cross-check emtricitabine pharmacophore against dilated_cardiomyopathy pathway. flavin_adenine_dinucleotide dilated_cardiomyopathy GAP_LOW 0.1111 0.0 hydrocortisone Low-priority: Computational docking flavin_adenine_dinucleotide vs dilated_cardiomyopathy targets. Cross-check flavin_adenine_dinucleotide pharmacophore against dilated_cardiomyopathy pathway. warfarin ocular_cancer GAP_HIGH 0.111 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) warfarin rectum_cancer GAP_HIGH 0.111 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in rectum_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) mazindol vascular_cancer GAP_HIGH 0.111 0.3181818181818182 chlorpromazine High-priority: Binding assay mazindol→?; validate in vascular_cancer cell model. Expected: similar to chlorpromazine (Jaccard=0.32) salicylic_acid testicular_cancer GAP_HIGH 0.111 0.26666666666666666 tiaprofenic_acid High-priority: Binding assay salicylic_acid→?; validate in testicular_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.27) chlordiazepoxide mediastinal_cancer GAP_HIGH 0.111 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) phensuximide gout GAP_HIGH 0.111 0.24390243902439024 phenindione High-priority: Binding assay phensuximide→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.24) adenosine_monophosphate skin_cancer GAP_HIGH 0.111 0.23728813559322035 clofarabine High-priority: Binding assay adenosine_monophosphate→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.24) epirubicin obesity GAP_HIGH 0.111 0.2 nitroglycerin High-priority: Binding assay epirubicin→?; validate in obesity cell model. Expected: similar to nitroglycerin (Jaccard=0.20) podofilox ankylosing_spondylitis GAP_HIGH 0.111 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in ankylosing_spondylitis cell model. Expected: similar to thioridazine (Jaccard=0.20) atomoxetine acquired_immunodeficiency_syndrome GAP_HIGH 0.111 0.18181818181818182 alvimopan High-priority: Binding assay atomoxetine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.18) indapamide vulva_cancer GAP_HIGH 0.111 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in vulva_cancer cell model. Expected: similar to diclofenamide (Jaccard=0.17) floctafenine alopecia_areata GAP_HIGH 0.111 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in alopecia_areata cell model. Expected: similar to fluorometholone (Jaccard=0.15) dextroamphetamine malaria GAP_LOW 0.111 0.14285714285714285 tranylcypromine Low-priority: Computational docking dextroamphetamine vs malaria targets. Cross-check dextroamphetamine pharmacophore against malaria pathway. ziprasidone muscle_cancer GAP_LOW 0.111 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs muscle_cancer targets. Cross-check ziprasidone pharmacophore against muscle_cancer pathway. olanzapine brain_cancer GAP_LOW 0.111 0.125 alendronate Low-priority: Computational docking olanzapine vs brain_cancer targets. Cross-check olanzapine pharmacophore against brain_cancer pathway. olanzapine intracranial_aneurysm GAP_LOW 0.111 0.125 alendronate Low-priority: Computational docking olanzapine vs intracranial_aneurysm targets. Cross-check olanzapine pharmacophore against intracranial_aneurysm pathway. nilotinib creutzfeldt-jakob_disease GAP_LOW 0.111 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs creutzfeldt-jakob_disease targets. Cross-check nilotinib pharmacophore against creutzfeldt-jakob_disease pathway. hydrochlorothiazide prostate_cancer GAP_LOW 0.111 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs prostate_cancer targets. Cross-check hydrochlorothiazide pharmacophore against prostate_cancer pathway. isoetarine alopecia_areata GAP_LOW 0.111 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs alopecia_areata targets. Cross-check isoetarine pharmacophore against alopecia_areata pathway. ponatinib alopecia_areata GAP_LOW 0.111 0.0625 dexamethasone Low-priority: Computational docking ponatinib vs alopecia_areata targets. Cross-check ponatinib pharmacophore against alopecia_areata pathway. terlipressin idiopathic_pulmonary_fibrosis GAP_LOW 0.111 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs idiopathic_pulmonary_fibrosis targets. Cross-check terlipressin pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-asparagine mediastinal_cancer GAP_LOW 0.111 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs mediastinal_cancer targets. Cross-check l-asparagine pharmacophore against mediastinal_cancer pathway. l-asparagine primary_biliary_cirrhosis GAP_LOW 0.111 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs primary_biliary_cirrhosis targets. Cross-check l-asparagine pharmacophore against primary_biliary_cirrhosis pathway. l-methionine kidney_cancer GAP_LOW 0.111 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs kidney_cancer targets. Cross-check l-methionine pharmacophore against kidney_cancer pathway. clofibrate larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking clofibrate vs larynx_cancer targets. Cross-check clofibrate pharmacophore against larynx_cancer pathway. l-asparagine larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking l-asparagine vs larynx_cancer targets. Cross-check l-asparagine pharmacophore against larynx_cancer pathway. l-carnitine larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking l-carnitine vs larynx_cancer targets. Cross-check l-carnitine pharmacophore against larynx_cancer pathway. l-ornithine larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking l-ornithine vs larynx_cancer targets. Cross-check l-ornithine pharmacophore against larynx_cancer pathway. linaclotide larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking linaclotide vs larynx_cancer targets. Cross-check linaclotide pharmacophore against larynx_cancer pathway. quinacrine larynx_cancer GAP_LOW 0.111 0.0 vinblastine Low-priority: Computational docking quinacrine vs larynx_cancer targets. Cross-check quinacrine pharmacophore against larynx_cancer pathway. folic_acid type_2_diabetes_mellitus GAP_HIGH 0.1109 0.2727272727272727 methotrexate High-priority: Binding assay folic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methotrexate (Jaccard=0.27) tetrahydrofolic_acid type_2_diabetes_mellitus GAP_HIGH 0.1109 0.2727272727272727 methotrexate High-priority: Binding assay tetrahydrofolic_acid→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to methotrexate (Jaccard=0.27) chlordiazepoxide thymus_cancer GAP_HIGH 0.1109 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) masoprocol autistic_disorder GAP_HIGH 0.1109 0.25 l-dopa High-priority: Binding assay masoprocol→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) masoprocol nicotine_dependence GAP_HIGH 0.1109 0.25 l-dopa High-priority: Binding assay masoprocol→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.25) bevantolol colon_cancer GAP_HIGH 0.1109 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in colon_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) bevantolol stomach_cancer GAP_HIGH 0.1109 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in stomach_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) clotrimazole focal_segmental_glomerulosclerosis GAP_HIGH 0.1109 0.24 bevantolol High-priority: Binding assay clotrimazole→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bevantolol (Jaccard=0.24) cinnarizine systemic_scleroderma GAP_HIGH 0.1109 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.23) amoxapine sarcoma GAP_HIGH 0.1109 0.21621621621621623 phenytoin High-priority: Binding assay amoxapine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.22) glucosamine conduct_disorder GAP_HIGH 0.1109 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) prednisolone glaucoma GAP_HIGH 0.1109 0.2 succinylcholine High-priority: Binding assay prednisolone→?; validate in glaucoma cell model. Expected: similar to succinylcholine (Jaccard=0.20) buclizine malaria GAP_HIGH 0.1109 0.175 modafinil High-priority: Binding assay buclizine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.17) chlorphenesin stomach_cancer GAP_HIGH 0.1109 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in stomach_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) imipramine sclerosing_cholangitis GAP_HIGH 0.1109 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.17) pirenzepine bone_cancer GAP_LOW 0.1109 0.14285714285714285 alendronate Low-priority: Computational docking pirenzepine vs bone_cancer targets. Cross-check pirenzepine pharmacophore against bone_cancer pathway. ziprasidone ocular_cancer GAP_LOW 0.1109 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs ocular_cancer targets. Cross-check ziprasidone pharmacophore against ocular_cancer pathway. telmisartan primary_biliary_cirrhosis GAP_LOW 0.1109 0.125 alvimopan Low-priority: Computational docking telmisartan vs primary_biliary_cirrhosis targets. Cross-check telmisartan pharmacophore against primary_biliary_cirrhosis pathway. chlorpropamide malignant_mesothelioma GAP_LOW 0.1109 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs malignant_mesothelioma targets. Cross-check chlorpropamide pharmacophore against malignant_mesothelioma pathway. conjugated_estrogens gilles_de_la_tourette_syndrome GAP_LOW 0.1109 0.09090909090909091 carbinoxamine Low-priority: Computational docking conjugated_estrogens vs gilles_de_la_tourette_syndrome targets. Cross-check conjugated_estrogens pharmacophore against gilles_de_la_tourette_syndrome pathway. midodrine liver_cancer GAP_LOW 0.1109 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs liver_cancer targets. Cross-check midodrine pharmacophore against liver_cancer pathway. codeine kidney_cancer GAP_LOW 0.1109 0.07407407407407407 oxybuprocaine Low-priority: Computational docking codeine vs kidney_cancer targets. Cross-check codeine pharmacophore against kidney_cancer pathway. dyphylline crohns_disease GAP_LOW 0.1109 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs crohns_disease targets. Cross-check dyphylline pharmacophore against crohns_disease pathway. ospemifene lymphatic_system_cancer GAP_LOW 0.1109 0.06666666666666667 streptozocin Low-priority: Computational docking ospemifene vs lymphatic_system_cancer targets. Cross-check ospemifene pharmacophore against lymphatic_system_cancer pathway. l-citrulline gout GAP_LOW 0.1109 0.05357142857142857 dexamethasone Low-priority: Computational docking l-citrulline vs gout targets. Cross-check l-citrulline pharmacophore against gout pathway. colchicine celiac_disease GAP_LOW 0.1109 0.05263157894736842 sorafenib Low-priority: Computational docking colchicine vs celiac_disease targets. Cross-check colchicine pharmacophore against celiac_disease pathway. probenecid alcohol_dependence GAP_LOW 0.1109 0.05 ethylmorphine Low-priority: Computational docking probenecid vs alcohol_dependence targets. Cross-check probenecid pharmacophore against alcohol_dependence pathway. trifluridine chronic_kidney_failure GAP_LOW 0.1109 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking trifluridine vs chronic_kidney_failure targets. Cross-check trifluridine pharmacophore against chronic_kidney_failure pathway. l-cysteine prostate_cancer GAP_LOW 0.1109 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs prostate_cancer targets. Cross-check l-cysteine pharmacophore against prostate_cancer pathway. latanoprost hepatitis_b GAP_LOW 0.1109 0.03508771929824561 s-adenosylmethionine Low-priority: Computational docking latanoprost vs hepatitis_b targets. Cross-check latanoprost pharmacophore against hepatitis_b pathway. l-asparagine gout GAP_LOW 0.1109 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs gout targets. Cross-check l-asparagine pharmacophore against gout pathway. l-asparagine thymus_cancer GAP_LOW 0.1109 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs thymus_cancer targets. Cross-check l-asparagine pharmacophore against thymus_cancer pathway. l-methionine nephrolithiasis GAP_LOW 0.1109 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs nephrolithiasis targets. Cross-check l-methionine pharmacophore against nephrolithiasis pathway. mannitol crohns_disease GAP_LOW 0.1109 0.0 hydrocortisone Low-priority: Computational docking mannitol vs crohns_disease targets. Cross-check mannitol pharmacophore against crohns_disease pathway. loperamide esophageal_cancer GAP_HIGH 0.1108 0.2916666666666667 toremifene High-priority: Binding assay loperamide→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.29) atomoxetine penile_cancer GAP_HIGH 0.1108 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) carbidopa mediastinal_cancer GAP_HIGH 0.1108 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.26) brompheniramine rectum_cancer GAP_HIGH 0.1108 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in rectum_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) indecainide uterine_fibroid GAP_HIGH 0.1108 0.25 metipranolol High-priority: Binding assay indecainide→?; validate in uterine_fibroid cell model. Expected: similar to metipranolol (Jaccard=0.25) pazopanib hematologic_cancer GAP_HIGH 0.1108 0.21875 ponatinib High-priority: Binding assay pazopanib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.22) loteprednol hypertension GAP_HIGH 0.1108 0.21428571428571427 amcinonide High-priority: Binding assay loteprednol→?; validate in hypertension cell model. Expected: similar to amcinonide (Jaccard=0.21) aceprometazine prostate_cancer GAP_HIGH 0.1108 0.2 isopropamide High-priority: Binding assay aceprometazine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) glucosamine bipolar_disorder GAP_HIGH 0.1108 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) sunitinib head_and_neck_cancer GAP_HIGH 0.1108 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in head_and_neck_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) sunitinib malignant_glioma GAP_HIGH 0.1108 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in malignant_glioma cell model. Expected: similar to doxorubicin (Jaccard=0.20) teniposide rheumatoid_arthritis GAP_HIGH 0.1108 0.2 epirubicin High-priority: Binding assay teniposide→?; validate in rheumatoid_arthritis cell model. Expected: similar to epirubicin (Jaccard=0.20) floctafenine azoospermia GAP_HIGH 0.1108 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in azoospermia cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) chlorphenesin pancreatic_cancer GAP_HIGH 0.1108 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in pancreatic_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) chlorphenesin ulcerative_colitis GAP_HIGH 0.1108 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in ulcerative_colitis cell model. Expected: similar to pantoprazole (Jaccard=0.17) glucosamine azoospermia GAP_HIGH 0.1108 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in azoospermia cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) pimozide mediastinal_cancer GAP_HIGH 0.1108 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in mediastinal_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) chlorthalidone salivary_gland_cancer GAP_LOW 0.1108 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs salivary_gland_cancer targets. Cross-check chlorthalidone pharmacophore against salivary_gland_cancer pathway. telmisartan endogenous_depression GAP_LOW 0.1108 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs endogenous_depression targets. Cross-check telmisartan pharmacophore against endogenous_depression pathway. ospemifene coronary_artery_disease GAP_LOW 0.1108 0.13043478260869565 betamethasone Low-priority: Computational docking ospemifene vs coronary_artery_disease targets. Cross-check ospemifene pharmacophore against coronary_artery_disease pathway. methadyl_acetate atherosclerosis GAP_LOW 0.1108 0.125 warfarin Low-priority: Computational docking methadyl_acetate vs atherosclerosis targets. Cross-check methadyl_acetate pharmacophore against atherosclerosis pathway. pemetrexed idiopathic_pulmonary_fibrosis GAP_LOW 0.1108 0.125 epinephrine Low-priority: Computational docking pemetrexed vs idiopathic_pulmonary_fibrosis targets. Cross-check pemetrexed pharmacophore against idiopathic_pulmonary_fibrosis pathway. phenmetrazine chronic_kidney_failure GAP_LOW 0.1108 0.125 clotrimazole Low-priority: Computational docking phenmetrazine vs chronic_kidney_failure targets. Cross-check phenmetrazine pharmacophore against chronic_kidney_failure pathway. abacavir prostate_cancer GAP_LOW 0.1108 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs prostate_cancer targets. Cross-check abacavir pharmacophore against prostate_cancer pathway. dasatinib coronary_artery_disease GAP_LOW 0.1108 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs coronary_artery_disease targets. Cross-check dasatinib pharmacophore against coronary_artery_disease pathway. melatonin salivary_gland_cancer GAP_LOW 0.1108 0.1 dexamethasone Low-priority: Computational docking melatonin vs salivary_gland_cancer targets. Cross-check melatonin pharmacophore against salivary_gland_cancer pathway. abacavir larynx_cancer GAP_LOW 0.1108 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs larynx_cancer targets. Cross-check abacavir pharmacophore against larynx_cancer pathway. tolbutamide peripheral_nervous_system_neoplasm GAP_LOW 0.1108 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs peripheral_nervous_system_neoplasm targets. Cross-check tolbutamide pharmacophore against peripheral_nervous_system_neoplasm pathway. hydrochlorothiazide mediastinal_cancer GAP_LOW 0.1108 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs mediastinal_cancer targets. Cross-check hydrochlorothiazide pharmacophore against mediastinal_cancer pathway. nabumetone lung_cancer GAP_LOW 0.1108 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs lung_cancer targets. Cross-check nabumetone pharmacophore against lung_cancer pathway. nabumetone rectum_cancer GAP_LOW 0.1108 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs rectum_cancer targets. Cross-check nabumetone pharmacophore against rectum_cancer pathway. remifentanil penile_cancer GAP_LOW 0.1108 0.08 methadone Low-priority: Computational docking remifentanil vs penile_cancer targets. Cross-check remifentanil pharmacophore against penile_cancer pathway. codeine nephrolithiasis GAP_LOW 0.1108 0.07407407407407407 oxybuprocaine Low-priority: Computational docking codeine vs nephrolithiasis targets. Cross-check codeine pharmacophore against nephrolithiasis pathway. l-citrulline urinary_bladder_cancer GAP_LOW 0.1108 0.07142857142857142 glucosamine Low-priority: Computational docking l-citrulline vs urinary_bladder_cancer targets. Cross-check l-citrulline pharmacophore against urinary_bladder_cancer pathway. terlipressin mediastinal_cancer GAP_LOW 0.1108 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs mediastinal_cancer targets. Cross-check terlipressin pharmacophore against mediastinal_cancer pathway. epinephrine chronic_kidney_failure GAP_LOW 0.1108 0.045454545454545456 acetylsalicylic_acid Low-priority: Computational docking epinephrine vs chronic_kidney_failure targets. Cross-check epinephrine pharmacophore against chronic_kidney_failure pathway. l-cysteine head_and_neck_cancer GAP_LOW 0.1108 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs head_and_neck_cancer targets. Cross-check l-cysteine pharmacophore against head_and_neck_cancer pathway. l-cysteine malignant_glioma GAP_LOW 0.1108 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs malignant_glioma targets. Cross-check l-cysteine pharmacophore against malignant_glioma pathway. atropine pagets_disease_of_bone GAP_LOW 0.1108 0.0 ibandronate Low-priority: Computational docking atropine vs pagets_disease_of_bone targets. Cross-check atropine pharmacophore against pagets_disease_of_bone pathway. benzatropine pagets_disease_of_bone GAP_LOW 0.1108 0.0 ibandronate Low-priority: Computational docking benzatropine vs pagets_disease_of_bone targets. Cross-check benzatropine pharmacophore against pagets_disease_of_bone pathway. calcium_acetate gilles_de_la_tourette_syndrome GAP_LOW 0.1108 0.0 loxapine Low-priority: Computational docking calcium_acetate vs gilles_de_la_tourette_syndrome targets. Cross-check calcium_acetate pharmacophore against gilles_de_la_tourette_syndrome pathway. chlorprothixene pagets_disease_of_bone GAP_LOW 0.1108 0.0 ibandronate Low-priority: Computational docking chlorprothixene vs pagets_disease_of_bone targets. Cross-check chlorprothixene pharmacophore against pagets_disease_of_bone pathway. salsalate pagets_disease_of_bone GAP_LOW 0.1108 0.0 ibandronate Low-priority: Computational docking salsalate vs pagets_disease_of_bone targets. Cross-check salsalate pharmacophore against pagets_disease_of_bone pathway. thiothixene pagets_disease_of_bone GAP_LOW 0.1108 0.0 ibandronate Low-priority: Computational docking thiothixene vs pagets_disease_of_bone targets. Cross-check thiothixene pharmacophore against pagets_disease_of_bone pathway. ethopropazine gout GAP_HIGH 0.1107 0.3333333333333333 trimipramine High-priority: Binding assay ethopropazine→?; validate in gout cell model. Expected: similar to trimipramine (Jaccard=0.33) aminosalicylic_acid autistic_disorder GAP_HIGH 0.1107 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) aminosalicylic_acid nicotine_dependence GAP_HIGH 0.1107 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) droxidopa urinary_bladder_cancer GAP_HIGH 0.1107 0.29411764705882354 mesalazine High-priority: Binding assay droxidopa→?; validate in urinary_bladder_cancer cell model. Expected: similar to mesalazine (Jaccard=0.29) estrone esophageal_cancer GAP_HIGH 0.1107 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in esophageal_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) diazepam urinary_bladder_cancer GAP_HIGH 0.1107 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) docetaxel conduct_disorder GAP_HIGH 0.1107 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) docetaxel panic_disorder GAP_HIGH 0.1107 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) phenprocoumon penile_cancer GAP_HIGH 0.1107 0.2222222222222222 modafinil High-priority: Binding assay phenprocoumon→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.22) crizotinib ankylosing_spondylitis GAP_HIGH 0.1107 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to sorafenib (Jaccard=0.20) glucosamine endogenous_depression GAP_HIGH 0.1107 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.20) phenprocoumon hepatitis_b GAP_HIGH 0.1107 0.18181818181818182 alvimopan High-priority: Binding assay phenprocoumon→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.18) pheniramine alcohol_dependence GAP_HIGH 0.1107 0.17857142857142858 ethylmorphine High-priority: Binding assay pheniramine→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.18) chloroprocaine type_1_diabetes_mellitus GAP_HIGH 0.1107 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to methylphenidate (Jaccard=0.17) chlorphenesin uterine_cancer GAP_HIGH 0.1107 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in uterine_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) pimozide thymus_cancer GAP_HIGH 0.1107 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in thymus_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) hydromorphone asthma GAP_LOW 0.1107 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs asthma targets. Cross-check hydromorphone pharmacophore against asthma pathway. hydromorphone atopic_dermatitis GAP_LOW 0.1107 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs atopic_dermatitis targets. Cross-check hydromorphone pharmacophore against atopic_dermatitis pathway. telmisartan sarcoma GAP_LOW 0.1107 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs sarcoma targets. Cross-check telmisartan pharmacophore against sarcoma pathway. telmisartan uterine_cancer GAP_LOW 0.1107 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs uterine_cancer targets. Cross-check telmisartan pharmacophore against uterine_cancer pathway. ziprasidone meningioma GAP_LOW 0.1107 0.125 alendronate Low-priority: Computational docking ziprasidone vs meningioma targets. Cross-check ziprasidone pharmacophore against meningioma pathway. hydromorphone head_and_neck_cancer GAP_LOW 0.1107 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs head_and_neck_cancer targets. Cross-check hydromorphone pharmacophore against head_and_neck_cancer pathway. hydromorphone malignant_glioma GAP_LOW 0.1107 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs malignant_glioma targets. Cross-check hydromorphone pharmacophore against malignant_glioma pathway. vinblastine alcohol_dependence GAP_LOW 0.1107 0.1111111111111111 naloxone Low-priority: Computational docking vinblastine vs alcohol_dependence targets. Cross-check vinblastine pharmacophore against alcohol_dependence pathway. sulfamethizole hepatitis_b GAP_LOW 0.1107 0.10526315789473684 nateglinide Low-priority: Computational docking sulfamethizole vs hepatitis_b targets. Cross-check sulfamethizole pharmacophore against hepatitis_b pathway. probenecid lymphatic_system_cancer GAP_LOW 0.1107 0.1 nelarabine Low-priority: Computational docking probenecid vs lymphatic_system_cancer targets. Cross-check probenecid pharmacophore against lymphatic_system_cancer pathway. telmisartan esophageal_cancer GAP_LOW 0.1107 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs esophageal_cancer targets. Cross-check telmisartan pharmacophore against esophageal_cancer pathway. clotiazepam refractive_error GAP_LOW 0.1107 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs refractive_error targets. Cross-check clotiazepam pharmacophore against refractive_error pathway. indomethacin head_and_neck_cancer GAP_LOW 0.1107 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs head_and_neck_cancer targets. Cross-check indomethacin pharmacophore against head_and_neck_cancer pathway. indomethacin malignant_glioma GAP_LOW 0.1107 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs malignant_glioma targets. Cross-check indomethacin pharmacophore against malignant_glioma pathway. desmopressin chronic_kidney_failure GAP_LOW 0.1107 0.07142857142857142 ergocalciferol Low-priority: Computational docking desmopressin vs chronic_kidney_failure targets. Cross-check desmopressin pharmacophore against chronic_kidney_failure pathway. emtricitabine obesity GAP_LOW 0.1107 0.07142857142857142 lidocaine Low-priority: Computational docking emtricitabine vs obesity targets. Cross-check emtricitabine pharmacophore against obesity pathway. phenylephrine malaria GAP_LOW 0.1107 0.06666666666666667 modafinil Low-priority: Computational docking phenylephrine vs malaria targets. Cross-check phenylephrine pharmacophore against malaria pathway. vapreotide meningioma GAP_LOW 0.1107 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs meningioma targets. Cross-check vapreotide pharmacophore against meningioma pathway. l-cysteine primary_biliary_cirrhosis GAP_LOW 0.1107 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs primary_biliary_cirrhosis targets. Cross-check l-cysteine pharmacophore against primary_biliary_cirrhosis pathway. bimatoprost focal_segmental_glomerulosclerosis GAP_LOW 0.1107 0.041666666666666664 bevantolol Low-priority: Computational docking bimatoprost vs focal_segmental_glomerulosclerosis targets. Cross-check bimatoprost pharmacophore against focal_segmental_glomerulosclerosis pathway. ethotoin dilated_cardiomyopathy GAP_LOW 0.1107 0.03225806451612903 rimexolone Low-priority: Computational docking ethotoin vs dilated_cardiomyopathy targets. Cross-check ethotoin pharmacophore against dilated_cardiomyopathy pathway. l-cysteine nephrolithiasis GAP_LOW 0.1107 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs nephrolithiasis targets. Cross-check l-cysteine pharmacophore against nephrolithiasis pathway. l-cysteine kidney_cancer GAP_LOW 0.1107 0.02127659574468085 fluticasone_propionate Low-priority: Computational docking l-cysteine vs kidney_cancer targets. Cross-check l-cysteine pharmacophore against kidney_cancer pathway. antipyrine acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking antipyrine vs acquired_immunodeficiency_syndrome targets. Cross-check antipyrine pharmacophore against acquired_immunodeficiency_syndrome pathway. colchicine acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking colchicine vs acquired_immunodeficiency_syndrome targets. Cross-check colchicine pharmacophore against acquired_immunodeficiency_syndrome pathway. fenbufen acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking fenbufen vs acquired_immunodeficiency_syndrome targets. Cross-check fenbufen pharmacophore against acquired_immunodeficiency_syndrome pathway. ketazolam acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking ketazolam vs acquired_immunodeficiency_syndrome targets. Cross-check ketazolam pharmacophore against acquired_immunodeficiency_syndrome pathway. lercanidipine type_1_diabetes_mellitus GAP_LOW 0.1107 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs type_1_diabetes_mellitus targets. Cross-check lercanidipine pharmacophore against type_1_diabetes_mellitus pathway. melatonin acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking melatonin vs acquired_immunodeficiency_syndrome targets. Cross-check melatonin pharmacophore against acquired_immunodeficiency_syndrome pathway. methsuximide acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking methsuximide vs acquired_immunodeficiency_syndrome targets. Cross-check methsuximide pharmacophore against acquired_immunodeficiency_syndrome pathway. nimodipine type_1_diabetes_mellitus GAP_LOW 0.1107 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs type_1_diabetes_mellitus targets. Cross-check nimodipine pharmacophore against type_1_diabetes_mellitus pathway. prazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking prazepam vs acquired_immunodeficiency_syndrome targets. Cross-check prazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. theophylline acquired_immunodeficiency_syndrome GAP_LOW 0.1107 0.0 mitiglinide Low-priority: Computational docking theophylline vs acquired_immunodeficiency_syndrome targets. Cross-check theophylline pharmacophore against acquired_immunodeficiency_syndrome pathway. warfarin peripheral_nervous_system_neoplasm GAP_HIGH 0.1106 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to modafinil (Jaccard=0.33) zuclopenthixol sarcoma GAP_HIGH 0.1106 0.3181818181818182 ethopropazine High-priority: Binding assay zuclopenthixol→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.32) carbidopa thymus_cancer GAP_HIGH 0.1106 0.2631578947368421 mesalazine High-priority: Binding assay carbidopa→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.26) brompheniramine liver_cancer GAP_HIGH 0.1106 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in liver_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) bevantolol ovarian_cancer GAP_HIGH 0.1106 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in ovarian_cancer cell model. Expected: similar to clotrimazole (Jaccard=0.24) aprindine salivary_gland_cancer GAP_HIGH 0.1106 0.2222222222222222 aspartame High-priority: Binding assay aprindine→?; validate in salivary_gland_cancer cell model. Expected: similar to aspartame (Jaccard=0.22) propafenone gilles_de_la_tourette_syndrome GAP_HIGH 0.1106 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to trimipramine (Jaccard=0.19) diclofenac celiac_disease GAP_HIGH 0.1106 0.16 pseudoephedrine High-priority: Binding assay diclofenac→?; validate in celiac_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) pimozide narcolepsy GAP_HIGH 0.1106 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in narcolepsy cell model. Expected: similar to fentanyl (Jaccard=0.16) olanzapine narcolepsy GAP_HIGH 0.1106 0.15384615384615385 temazepam High-priority: Binding assay olanzapine→?; validate in narcolepsy cell model. Expected: similar to temazepam (Jaccard=0.15) furosemide urinary_bladder_cancer GAP_LOW 0.1106 0.15 tamsulosin Low-priority: Computational docking furosemide vs urinary_bladder_cancer targets. Cross-check furosemide pharmacophore against urinary_bladder_cancer pathway. chlorthalidone ocular_cancer GAP_LOW 0.1106 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs ocular_cancer targets. Cross-check chlorthalidone pharmacophore against ocular_cancer pathway. hydromorphone stomach_cancer GAP_LOW 0.1106 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs stomach_cancer targets. Cross-check hydromorphone pharmacophore against stomach_cancer pathway. ziprasidone peripheral_nervous_system_neoplasm GAP_LOW 0.1106 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs peripheral_nervous_system_neoplasm targets. Cross-check ziprasidone pharmacophore against peripheral_nervous_system_neoplasm pathway. ziprasidone urinary_bladder_cancer GAP_LOW 0.1106 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs urinary_bladder_cancer targets. Cross-check ziprasidone pharmacophore against urinary_bladder_cancer pathway. adenine brain_cancer GAP_LOW 0.1106 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs brain_cancer targets. Cross-check adenine pharmacophore against brain_cancer pathway. adenine intracranial_aneurysm GAP_LOW 0.1106 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs intracranial_aneurysm targets. Cross-check adenine pharmacophore against intracranial_aneurysm pathway. pralatrexate epilepsy_syndrome GAP_LOW 0.1106 0.125 olsalazine Low-priority: Computational docking pralatrexate vs epilepsy_syndrome targets. Cross-check pralatrexate pharmacophore against epilepsy_syndrome pathway. azacitidine gout GAP_LOW 0.1106 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs gout targets. Cross-check azacitidine pharmacophore against gout pathway. chlorpropamide urinary_bladder_cancer GAP_LOW 0.1106 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs urinary_bladder_cancer targets. Cross-check chlorpropamide pharmacophore against urinary_bladder_cancer pathway. adinazolam meningioma GAP_LOW 0.1106 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs meningioma targets. Cross-check adinazolam pharmacophore against meningioma pathway. metolazone pancreatitis GAP_LOW 0.1106 0.09523809523809523 bethanidine Low-priority: Computational docking metolazone vs pancreatitis targets. Cross-check metolazone pharmacophore against pancreatitis pathway. nabumetone skin_cancer GAP_LOW 0.1106 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs skin_cancer targets. Cross-check nabumetone pharmacophore against skin_cancer pathway. hydrochlorothiazide thymus_cancer GAP_LOW 0.1106 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs thymus_cancer targets. Cross-check hydrochlorothiazide pharmacophore against thymus_cancer pathway. nabumetone liver_cancer GAP_LOW 0.1106 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs liver_cancer targets. Cross-check nabumetone pharmacophore against liver_cancer pathway. zolpidem malignant_mesothelioma GAP_LOW 0.1106 0.08333333333333333 diphemanil_methylsulfate Low-priority: Computational docking zolpidem vs malignant_mesothelioma targets. Cross-check zolpidem pharmacophore against malignant_mesothelioma pathway. felypressin lung_cancer GAP_LOW 0.1106 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs lung_cancer targets. Cross-check felypressin pharmacophore against lung_cancer pathway. felypressin rectum_cancer GAP_LOW 0.1106 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs rectum_cancer targets. Cross-check felypressin pharmacophore against rectum_cancer pathway. pasireotide pharynx_cancer GAP_LOW 0.1106 0.05555555555555555 droxidopa Low-priority: Computational docking pasireotide vs pharynx_cancer targets. Cross-check pasireotide pharmacophore against pharynx_cancer pathway. ephedrine hepatitis_b GAP_LOW 0.1106 0.05 nateglinide Low-priority: Computational docking ephedrine vs hepatitis_b targets. Cross-check ephedrine pharmacophore against hepatitis_b pathway. travoprost malignant_mesothelioma GAP_LOW 0.1106 0.05 fluoxymesterone Low-priority: Computational docking travoprost vs malignant_mesothelioma targets. Cross-check travoprost pharmacophore against malignant_mesothelioma pathway. loratadine azoospermia GAP_LOW 0.1106 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs azoospermia targets. Cross-check loratadine pharmacophore against azoospermia pathway. l-cysteine gout GAP_LOW 0.1106 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs gout targets. Cross-check l-cysteine pharmacophore against gout pathway. exemestane alzheimers_disease GAP_HIGH 0.1105 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.28) phenprocoumon uterine_cancer GAP_HIGH 0.1105 0.25 tamoxifen High-priority: Binding assay phenprocoumon→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) fosphenytoin ulcerative_colitis GAP_HIGH 0.1105 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in ulcerative_colitis cell model. Expected: similar to clobazam (Jaccard=0.24) docetaxel bipolar_disorder GAP_HIGH 0.1105 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.22) estradiol esophageal_cancer GAP_HIGH 0.1105 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in esophageal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) clobazam melanoma GAP_HIGH 0.1105 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.20) epirubicin restless_legs_syndrome GAP_HIGH 0.1105 0.2 acetazolamide High-priority: Binding assay epirubicin→?; validate in restless_legs_syndrome cell model. Expected: similar to acetazolamide (Jaccard=0.20) vinblastine crohns_disease GAP_HIGH 0.1105 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in crohns_disease cell model. Expected: similar to epinastine (Jaccard=0.20) naproxen chronic_kidney_failure GAP_HIGH 0.1105 0.1951219512195122 fenoprofen High-priority: Binding assay naproxen→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.20) crizotinib germ_cell_cancer GAP_HIGH 0.1105 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) pamidronate chronic_obstructive_pulmonary_disease GAP_HIGH 0.1105 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) hydromorphone pancreatic_cancer GAP_LOW 0.1105 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs pancreatic_cancer targets. Cross-check hydromorphone pharmacophore against pancreatic_cancer pathway. lamivudine bone_cancer GAP_LOW 0.1105 0.10526315789473684 tetrahydrofolic_acid Low-priority: Computational docking lamivudine vs bone_cancer targets. Cross-check lamivudine pharmacophore against bone_cancer pathway. ergocalciferol crohns_disease GAP_LOW 0.1105 0.1 salicylate-sodium Low-priority: Computational docking ergocalciferol vs crohns_disease targets. Cross-check ergocalciferol pharmacophore against crohns_disease pathway. hydrochlorothiazide coronary_artery_disease GAP_LOW 0.1105 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs coronary_artery_disease targets. Cross-check hydrochlorothiazide pharmacophore against coronary_artery_disease pathway. hydrochlorothiazide hematologic_cancer GAP_LOW 0.1105 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs hematologic_cancer targets. Cross-check hydrochlorothiazide pharmacophore against hematologic_cancer pathway. tamsulosin type_1_diabetes_mellitus GAP_LOW 0.1105 0.08 tolazamide Low-priority: Computational docking tamsulosin vs type_1_diabetes_mellitus targets. Cross-check tamsulosin pharmacophore against type_1_diabetes_mellitus pathway. hydrochlorothiazide germ_cell_cancer GAP_LOW 0.1105 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs germ_cell_cancer targets. Cross-check hydrochlorothiazide pharmacophore against germ_cell_cancer pathway. indomethacin nephrolithiasis GAP_LOW 0.1105 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs nephrolithiasis targets. Cross-check indomethacin pharmacophore against nephrolithiasis pathway. nabumetone pharynx_cancer GAP_LOW 0.1105 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs pharynx_cancer targets. Cross-check nabumetone pharmacophore against pharynx_cancer pathway. tolbutamide idiopathic_pulmonary_fibrosis GAP_LOW 0.1105 0.07692307692307693 phentermine Low-priority: Computational docking tolbutamide vs idiopathic_pulmonary_fibrosis targets. Cross-check tolbutamide pharmacophore against idiopathic_pulmonary_fibrosis pathway. midodrine pharynx_cancer GAP_LOW 0.1105 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs pharynx_cancer targets. Cross-check midodrine pharmacophore against pharynx_cancer pathway. dyphylline prostate_cancer GAP_LOW 0.1105 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs prostate_cancer targets. Cross-check dyphylline pharmacophore against prostate_cancer pathway. felypressin liver_cancer GAP_LOW 0.1105 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs liver_cancer targets. Cross-check felypressin pharmacophore against liver_cancer pathway. terlipressin alzheimers_disease GAP_LOW 0.1105 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs alzheimers_disease targets. Cross-check terlipressin pharmacophore against alzheimers_disease pathway. sunitinib leprosy GAP_LOW 0.1105 0.05263157894736842 menadione Low-priority: Computational docking sunitinib vs leprosy targets. Cross-check sunitinib pharmacophore against leprosy pathway. adenine leprosy GAP_LOW 0.1105 0.043478260869565216 phensuximide Low-priority: Computational docking adenine vs leprosy targets. Cross-check adenine pharmacophore against leprosy pathway. moexipril malaria GAP_LOW 0.1105 0.022727272727272728 phensuximide Low-priority: Computational docking moexipril vs malaria targets. Cross-check moexipril pharmacophore against malaria pathway. candesartan prostate_cancer GAP_LOW 0.1105 0.0 phenylbutazone Low-priority: Computational docking candesartan vs prostate_cancer targets. Cross-check candesartan pharmacophore against prostate_cancer pathway. cortisone_acetate pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking cortisone_acetate vs pagets_disease_of_bone targets. Cross-check cortisone_acetate pharmacophore against pagets_disease_of_bone pathway. cytarabine alcohol_dependence GAP_LOW 0.1105 0.0 midazolam Low-priority: Computational docking cytarabine vs alcohol_dependence targets. Cross-check cytarabine pharmacophore against alcohol_dependence pathway. fluorometholone pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking fluorometholone vs pagets_disease_of_bone targets. Cross-check fluorometholone pharmacophore against pagets_disease_of_bone pathway. flurandrenolide pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking flurandrenolide vs pagets_disease_of_bone targets. Cross-check flurandrenolide pharmacophore against pagets_disease_of_bone pathway. loteprednol pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking loteprednol vs pagets_disease_of_bone targets. Cross-check loteprednol pharmacophore against pagets_disease_of_bone pathway. mannitol idiopathic_pulmonary_fibrosis GAP_LOW 0.1105 0.0 hydrocortisone Low-priority: Computational docking mannitol vs idiopathic_pulmonary_fibrosis targets. Cross-check mannitol pharmacophore against idiopathic_pulmonary_fibrosis pathway. mannitol prostate_cancer GAP_LOW 0.1105 0.0 phenylbutazone Low-priority: Computational docking mannitol vs prostate_cancer targets. Cross-check mannitol pharmacophore against prostate_cancer pathway. mequitazine pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking mequitazine vs pagets_disease_of_bone targets. Cross-check mequitazine pharmacophore against pagets_disease_of_bone pathway. pravastatin prostate_cancer GAP_LOW 0.1105 0.0 phenylbutazone Low-priority: Computational docking pravastatin vs prostate_cancer targets. Cross-check pravastatin pharmacophore against prostate_cancer pathway. prednicarbate pagets_disease_of_bone GAP_LOW 0.1105 0.0 ibandronate Low-priority: Computational docking prednicarbate vs pagets_disease_of_bone targets. Cross-check prednicarbate pharmacophore against pagets_disease_of_bone pathway. vorinostat alcohol_dependence GAP_LOW 0.1105 0.0 midazolam Low-priority: Computational docking vorinostat vs alcohol_dependence targets. Cross-check vorinostat pharmacophore against alcohol_dependence pathway. zafirlukast alcohol_dependence GAP_LOW 0.1105 0.0 midazolam Low-priority: Computational docking zafirlukast vs alcohol_dependence targets. Cross-check zafirlukast pharmacophore against alcohol_dependence pathway. chlordiazepoxide skin_cancer GAP_HIGH 0.1104 0.2857142857142857 azatadine High-priority: Binding assay chlordiazepoxide→?; validate in skin_cancer cell model. Expected: similar to azatadine (Jaccard=0.29) loxapine sarcoma GAP_HIGH 0.1104 0.2857142857142857 chlorcyclizine High-priority: Binding assay loxapine→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.29) exemestane nicotine_dependence GAP_HIGH 0.1104 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.28) brompheniramine peripheral_nervous_system_neoplasm GAP_HIGH 0.1104 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.25) chlorcyclizine malaria GAP_HIGH 0.1104 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.25) fosphenytoin uterine_cancer GAP_HIGH 0.1104 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in uterine_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) docetaxel endogenous_depression GAP_HIGH 0.1104 0.2222222222222222 naloxone High-priority: Binding assay docetaxel→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.22) alvimopan sclerosing_cholangitis GAP_HIGH 0.1104 0.18181818181818182 atomoxetine High-priority: Binding assay alvimopan→?; validate in sclerosing_cholangitis cell model. Expected: similar to atomoxetine (Jaccard=0.18) sulfadiazine salivary_gland_cancer GAP_HIGH 0.1104 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in salivary_gland_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) pamidronate epilepsy_syndrome GAP_HIGH 0.1104 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in epilepsy_syndrome cell model. Expected: similar to phenelzine (Jaccard=0.17) pimozide epilepsy_syndrome GAP_HIGH 0.1104 0.16666666666666666 aminophenazone High-priority: Binding assay pimozide→?; validate in epilepsy_syndrome cell model. Expected: similar to aminophenazone (Jaccard=0.17) hydromorphone psoriasis GAP_LOW 0.1104 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs psoriasis targets. Cross-check hydromorphone pharmacophore against psoriasis pathway. fluspirilene celiac_disease GAP_LOW 0.1104 0.11538461538461539 chlorcyclizine Low-priority: Computational docking fluspirilene vs celiac_disease targets. Cross-check fluspirilene pharmacophore against celiac_disease pathway. nilotinib chronic_obstructive_pulmonary_disease GAP_LOW 0.1104 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs chronic_obstructive_pulmonary_disease targets. Cross-check nilotinib pharmacophore against chronic_obstructive_pulmonary_disease pathway. dihydrotachysterol creutzfeldt-jakob_disease GAP_LOW 0.1104 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs creutzfeldt-jakob_disease targets. Cross-check dihydrotachysterol pharmacophore against creutzfeldt-jakob_disease pathway. adinazolam crohns_disease GAP_LOW 0.1104 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs crohns_disease targets. Cross-check adinazolam pharmacophore against crohns_disease pathway. proparacaine malignant_mesothelioma GAP_LOW 0.1104 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs malignant_mesothelioma targets. Cross-check proparacaine pharmacophore against malignant_mesothelioma pathway. adinazolam celiac_disease GAP_LOW 0.1104 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking adinazolam vs celiac_disease targets. Cross-check adinazolam pharmacophore against celiac_disease pathway. metolazone duodenum_cancer GAP_LOW 0.1104 0.09090909090909091 etoricoxib Low-priority: Computational docking metolazone vs duodenum_cancer targets. Cross-check metolazone pharmacophore against duodenum_cancer pathway. metolazone gallbladder_cancer GAP_LOW 0.1104 0.09090909090909091 etoricoxib Low-priority: Computational docking metolazone vs gallbladder_cancer targets. Cross-check metolazone pharmacophore against gallbladder_cancer pathway. paricalcitol azoospermia GAP_LOW 0.1104 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs azoospermia targets. Cross-check paricalcitol pharmacophore against azoospermia pathway. tolbutamide hypertension GAP_LOW 0.1104 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs hypertension targets. Cross-check tolbutamide pharmacophore against hypertension pathway. ponatinib type_1_diabetes_mellitus GAP_LOW 0.1104 0.06818181818181818 sulfapyridine Low-priority: Computational docking ponatinib vs type_1_diabetes_mellitus targets. Cross-check ponatinib pharmacophore against type_1_diabetes_mellitus pathway. felypressin nicotine_dependence GAP_LOW 0.1104 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs nicotine_dependence targets. Cross-check felypressin pharmacophore against nicotine_dependence pathway. terlipressin autistic_disorder GAP_LOW 0.1104 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs autistic_disorder targets. Cross-check terlipressin pharmacophore against autistic_disorder pathway. terlipressin nicotine_dependence GAP_LOW 0.1104 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs nicotine_dependence targets. Cross-check terlipressin pharmacophore against nicotine_dependence pathway. ceruletide kidney_cancer GAP_LOW 0.1104 0.0625 prednisone Low-priority: Computational docking ceruletide vs kidney_cancer targets. Cross-check ceruletide pharmacophore against kidney_cancer pathway. dyphylline refractive_error GAP_LOW 0.1104 0.05 l-carnitine Low-priority: Computational docking dyphylline vs refractive_error targets. Cross-check dyphylline pharmacophore against refractive_error pathway. loratadine membranous_glomerulonephritis GAP_LOW 0.1104 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs membranous_glomerulonephritis targets. Cross-check loratadine pharmacophore against membranous_glomerulonephritis pathway. l-cysteine coronary_artery_disease GAP_LOW 0.1104 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs coronary_artery_disease targets. Cross-check l-cysteine pharmacophore against coronary_artery_disease pathway. methyltestosterone gestational_diabetes GAP_LOW 0.1104 0.034482758620689655 bezafibrate Low-priority: Computational docking methyltestosterone vs gestational_diabetes targets. Cross-check methyltestosterone pharmacophore against gestational_diabetes pathway. hydromorphone leprosy GAP_LOW 0.1104 0.0 sulfapyridine Low-priority: Computational docking hydromorphone vs leprosy targets. Cross-check hydromorphone pharmacophore against leprosy pathway. l-tyrosine germ_cell_cancer GAP_HIGH 0.1103 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in germ_cell_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) azelastine sarcoma GAP_HIGH 0.1103 0.2647058823529412 chlorcyclizine High-priority: Binding assay azelastine→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) masoprocol conduct_disorder GAP_HIGH 0.1103 0.25 l-dopa High-priority: Binding assay masoprocol→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.25) propiomazine melanoma GAP_HIGH 0.1103 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in melanoma cell model. Expected: similar to tamoxifen (Jaccard=0.25) aprindine ocular_cancer GAP_HIGH 0.1103 0.2222222222222222 aspartame High-priority: Binding assay aprindine→?; validate in ocular_cancer cell model. Expected: similar to aspartame (Jaccard=0.22) brompheniramine membranous_glomerulonephritis GAP_HIGH 0.1103 0.2222222222222222 promethazine High-priority: Binding assay brompheniramine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.22) gemcitabine psoriatic_arthritis GAP_HIGH 0.1103 0.2222222222222222 ribavirin High-priority: Binding assay gemcitabine→?; validate in psoriatic_arthritis cell model. Expected: similar to ribavirin (Jaccard=0.22) oxybuprocaine vitiligo GAP_HIGH 0.1103 0.21052631578947367 phenmetrazine High-priority: Binding assay oxybuprocaine→?; validate in vitiligo cell model. Expected: similar to phenmetrazine (Jaccard=0.21) adenosine_triphosphate stomach_cancer GAP_HIGH 0.1103 0.20512820512820512 clofarabine High-priority: Binding assay adenosine_triphosphate→?; validate in stomach_cancer cell model. Expected: similar to clofarabine (Jaccard=0.21) aceprometazine hematologic_cancer GAP_HIGH 0.1103 0.2 isopropamide High-priority: Binding assay aceprometazine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) adenosine_triphosphate lung_cancer GAP_HIGH 0.1103 0.2 cladribine High-priority: Binding assay adenosine_triphosphate→?; validate in lung_cancer cell model. Expected: similar to cladribine (Jaccard=0.20) adenosine_triphosphate rectum_cancer GAP_HIGH 0.1103 0.2 cladribine High-priority: Binding assay adenosine_triphosphate→?; validate in rectum_cancer cell model. Expected: similar to cladribine (Jaccard=0.20) tranylcypromine skin_cancer GAP_HIGH 0.1103 0.2 warfarin High-priority: Binding assay tranylcypromine→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.20) testosterone pharynx_cancer GAP_HIGH 0.1103 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in pharynx_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) sulfadiazine muscle_cancer GAP_HIGH 0.1103 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in muscle_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) folic_acid acquired_immunodeficiency_syndrome GAP_HIGH 0.1103 0.16666666666666666 emtricitabine High-priority: Binding assay folic_acid→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to emtricitabine (Jaccard=0.17) imipramine thyroid_cancer GAP_HIGH 0.1103 0.16666666666666666 vincristine High-priority: Binding assay imipramine→?; validate in thyroid_cancer cell model. Expected: similar to vincristine (Jaccard=0.17) pamidronate pancreatitis GAP_HIGH 0.1103 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in pancreatitis cell model. Expected: similar to trifluoperazine (Jaccard=0.17) tetrahydrofolic_acid acquired_immunodeficiency_syndrome GAP_HIGH 0.1103 0.16666666666666666 emtricitabine High-priority: Binding assay tetrahydrofolic_acid→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to emtricitabine (Jaccard=0.17) tranylcypromine membranous_glomerulonephritis GAP_HIGH 0.1103 0.16666666666666666 mitiglinide High-priority: Binding assay tranylcypromine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.17) pimozide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1103 0.15384615384615385 ifenprodil High-priority: Binding assay pimozide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ifenprodil (Jaccard=0.15) pimozide prostate_cancer GAP_HIGH 0.1103 0.15384615384615385 ifenprodil High-priority: Binding assay pimozide→?; validate in prostate_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) furosemide pharynx_cancer GAP_LOW 0.1103 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs pharynx_cancer targets. Cross-check furosemide pharmacophore against pharynx_cancer pathway. imipramine celiac_disease GAP_LOW 0.1103 0.13636363636363635 fentanyl Low-priority: Computational docking imipramine vs celiac_disease targets. Cross-check imipramine pharmacophore against celiac_disease pathway. pemetrexed coronary_artery_disease GAP_LOW 0.1103 0.125 naloxone Low-priority: Computational docking pemetrexed vs coronary_artery_disease targets. Cross-check pemetrexed pharmacophore against coronary_artery_disease pathway. hydromorphone celiac_disease GAP_LOW 0.1103 0.1111111111111111 anisotropine_methylbromide Low-priority: Computational docking hydromorphone vs celiac_disease targets. Cross-check hydromorphone pharmacophore against celiac_disease pathway. alitretinoin brain_cancer GAP_LOW 0.1103 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs brain_cancer targets. Cross-check alitretinoin pharmacophore against brain_cancer pathway. ergocalciferol malignant_glioma GAP_LOW 0.1103 0.08333333333333333 spironolactone Low-priority: Computational docking ergocalciferol vs malignant_glioma targets. Cross-check ergocalciferol pharmacophore against malignant_glioma pathway. midodrine asthma GAP_LOW 0.1103 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs asthma targets. Cross-check midodrine pharmacophore against asthma pathway. proparacaine glaucoma GAP_LOW 0.1103 0.07692307692307693 metaraminol Low-priority: Computational docking proparacaine vs glaucoma targets. Cross-check proparacaine pharmacophore against glaucoma pathway. l-citrulline stomach_cancer GAP_LOW 0.1103 0.07142857142857142 thalidomide Low-priority: Computational docking l-citrulline vs stomach_cancer targets. Cross-check l-citrulline pharmacophore against stomach_cancer pathway. arbutamine alcohol_dependence GAP_LOW 0.1103 0.06976744186046512 mazindol Low-priority: Computational docking arbutamine vs alcohol_dependence targets. Cross-check arbutamine pharmacophore against alcohol_dependence pathway. dyphylline mediastinal_cancer GAP_LOW 0.1103 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs mediastinal_cancer targets. Cross-check dyphylline pharmacophore against mediastinal_cancer pathway. felypressin peripheral_nervous_system_neoplasm GAP_LOW 0.1103 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs peripheral_nervous_system_neoplasm targets. Cross-check felypressin pharmacophore against peripheral_nervous_system_neoplasm pathway. terlipressin peripheral_nervous_system_neoplasm GAP_LOW 0.1103 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs peripheral_nervous_system_neoplasm targets. Cross-check terlipressin pharmacophore against peripheral_nervous_system_neoplasm pathway. ceruletide nephrolithiasis GAP_LOW 0.1103 0.0625 prednisone Low-priority: Computational docking ceruletide vs nephrolithiasis targets. Cross-check ceruletide pharmacophore against nephrolithiasis pathway. nabumetone malignant_mesothelioma GAP_LOW 0.1103 0.058823529411764705 diphemanil_methylsulfate Low-priority: Computational docking nabumetone vs malignant_mesothelioma targets. Cross-check nabumetone pharmacophore against malignant_mesothelioma pathway. l-citrulline prostate_cancer GAP_LOW 0.1103 0.04838709677419355 sunitinib Low-priority: Computational docking l-citrulline vs prostate_cancer targets. Cross-check l-citrulline pharmacophore against prostate_cancer pathway. dipivefrin acquired_immunodeficiency_syndrome GAP_LOW 0.1103 0.047619047619047616 vidarabine Low-priority: Computational docking dipivefrin vs acquired_immunodeficiency_syndrome targets. Cross-check dipivefrin pharmacophore against acquired_immunodeficiency_syndrome pathway. l-asparagine thyroid_cancer GAP_LOW 0.1103 0.038461538461538464 dextrothyroxine Low-priority: Computational docking l-asparagine vs thyroid_cancer targets. Cross-check l-asparagine pharmacophore against thyroid_cancer pathway. ponatinib lymphatic_system_cancer GAP_LOW 0.1103 0.03333333333333333 vinblastine Low-priority: Computational docking ponatinib vs lymphatic_system_cancer targets. Cross-check ponatinib pharmacophore against lymphatic_system_cancer pathway. l-methionine celiac_disease GAP_LOW 0.1103 0.022222222222222223 anisotropine_methylbromide Low-priority: Computational docking l-methionine vs celiac_disease targets. Cross-check l-methionine pharmacophore against celiac_disease pathway. candesartan mediastinal_cancer GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking candesartan vs mediastinal_cancer targets. Cross-check candesartan pharmacophore against mediastinal_cancer pathway. mannitol mediastinal_cancer GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking mannitol vs mediastinal_cancer targets. Cross-check mannitol pharmacophore against mediastinal_cancer pathway. mannitol primary_biliary_cirrhosis GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking mannitol vs primary_biliary_cirrhosis targets. Cross-check mannitol pharmacophore against primary_biliary_cirrhosis pathway. nicardipine primary_biliary_cirrhosis GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking nicardipine vs primary_biliary_cirrhosis targets. Cross-check nicardipine pharmacophore against primary_biliary_cirrhosis pathway. nilvadipine primary_biliary_cirrhosis GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking nilvadipine vs primary_biliary_cirrhosis targets. Cross-check nilvadipine pharmacophore against primary_biliary_cirrhosis pathway. pravastatin mediastinal_cancer GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs mediastinal_cancer targets. Cross-check pravastatin pharmacophore against mediastinal_cancer pathway. pravastatin primary_biliary_cirrhosis GAP_LOW 0.1103 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs primary_biliary_cirrhosis targets. Cross-check pravastatin pharmacophore against primary_biliary_cirrhosis pathway. aminosalicylic_acid conduct_disorder GAP_HIGH 0.1102 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in conduct_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) aminosalicylic_acid panic_disorder GAP_HIGH 0.1102 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in panic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) aminosalicylic_acid schizophrenia GAP_HIGH 0.1102 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in schizophrenia cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) flurbiprofen penile_cancer GAP_HIGH 0.1102 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.26) clotrimazole glaucoma GAP_HIGH 0.1102 0.24 bevantolol High-priority: Binding assay clotrimazole→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.24) cinnarizine rheumatoid_arthritis GAP_HIGH 0.1102 0.23076923076923078 clotrimazole High-priority: Binding assay cinnarizine→?; validate in rheumatoid_arthritis cell model. Expected: similar to clotrimazole (Jaccard=0.23) ketoprofen chronic_obstructive_pulmonary_disease GAP_HIGH 0.1102 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to epinephrine (Jaccard=0.22) levorphanol narcolepsy GAP_HIGH 0.1102 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in narcolepsy cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) sulfadiazine ocular_cancer GAP_HIGH 0.1102 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in ocular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) indapamide vitiligo GAP_HIGH 0.1102 0.16666666666666666 diclofenamide High-priority: Binding assay indapamide→?; validate in vitiligo cell model. Expected: similar to diclofenamide (Jaccard=0.17) phenformin mediastinal_cancer GAP_HIGH 0.1102 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in mediastinal_cancer cell model. Expected: similar to melphalan (Jaccard=0.15) alendronate glaucoma GAP_LOW 0.1102 0.14285714285714285 polythiazide Low-priority: Computational docking alendronate vs glaucoma targets. Cross-check alendronate pharmacophore against glaucoma pathway. chlorthalidone peripheral_nervous_system_neoplasm GAP_LOW 0.1102 0.14285714285714285 phenylbutazone Low-priority: Computational docking chlorthalidone vs peripheral_nervous_system_neoplasm targets. Cross-check chlorthalidone pharmacophore against peripheral_nervous_system_neoplasm pathway. orphenadrine glaucoma GAP_LOW 0.1102 0.14285714285714285 metaraminol Low-priority: Computational docking orphenadrine vs glaucoma targets. Cross-check orphenadrine pharmacophore against glaucoma pathway. telmisartan vaginal_cancer GAP_LOW 0.1102 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs vaginal_cancer targets. Cross-check telmisartan pharmacophore against vaginal_cancer pathway. telmisartan vulva_cancer GAP_LOW 0.1102 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs vulva_cancer targets. Cross-check telmisartan pharmacophore against vulva_cancer pathway. indapamide glaucoma GAP_LOW 0.1102 0.125 hydrochlorothiazide Low-priority: Computational docking indapamide vs glaucoma targets. Cross-check indapamide pharmacophore against glaucoma pathway. olanzapine head_and_neck_cancer GAP_LOW 0.1102 0.125 alendronate Low-priority: Computational docking olanzapine vs head_and_neck_cancer targets. Cross-check olanzapine pharmacophore against head_and_neck_cancer pathway. olanzapine malignant_glioma GAP_LOW 0.1102 0.125 alendronate Low-priority: Computational docking olanzapine vs malignant_glioma targets. Cross-check olanzapine pharmacophore against malignant_glioma pathway. alprazolam refractive_error GAP_LOW 0.1102 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs refractive_error targets. Cross-check alprazolam pharmacophore against refractive_error pathway. clonidine bone_cancer GAP_LOW 0.1102 0.1 histamine_phosphate Low-priority: Computational docking clonidine vs bone_cancer targets. Cross-check clonidine pharmacophore against bone_cancer pathway. stanozolol chronic_kidney_failure GAP_LOW 0.1102 0.1 ergocalciferol Low-priority: Computational docking stanozolol vs chronic_kidney_failure targets. Cross-check stanozolol pharmacophore against chronic_kidney_failure pathway. telmisartan nephrolithiasis GAP_LOW 0.1102 0.1 procaine Low-priority: Computational docking telmisartan vs nephrolithiasis targets. Cross-check telmisartan pharmacophore against nephrolithiasis pathway. tretinoin refractive_error GAP_LOW 0.1102 0.1 choline Low-priority: Computational docking tretinoin vs refractive_error targets. Cross-check tretinoin pharmacophore against refractive_error pathway. indomethacin crohns_disease GAP_LOW 0.1102 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs crohns_disease targets. Cross-check indomethacin pharmacophore against crohns_disease pathway. pazopanib gestational_diabetes GAP_LOW 0.1102 0.09090909090909091 gliclazide Low-priority: Computational docking pazopanib vs gestational_diabetes targets. Cross-check pazopanib pharmacophore against gestational_diabetes pathway. midodrine stomach_cancer GAP_LOW 0.1102 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs stomach_cancer targets. Cross-check midodrine pharmacophore against stomach_cancer pathway. nabumetone thyroid_cancer GAP_LOW 0.1102 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs thyroid_cancer targets. Cross-check nabumetone pharmacophore against thyroid_cancer pathway. midodrine chronic_obstructive_pulmonary_disease GAP_LOW 0.1102 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs chronic_obstructive_pulmonary_disease targets. Cross-check midodrine pharmacophore against chronic_obstructive_pulmonary_disease pathway. dyphylline primary_biliary_cirrhosis GAP_LOW 0.1102 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs primary_biliary_cirrhosis targets. Cross-check dyphylline pharmacophore against primary_biliary_cirrhosis pathway. ospemifene malaria GAP_LOW 0.1102 0.06666666666666667 talbutal Low-priority: Computational docking ospemifene vs malaria targets. Cross-check ospemifene pharmacophore against malaria pathway. selegiline acquired_immunodeficiency_syndrome GAP_LOW 0.1102 0.06666666666666667 nateglinide Low-priority: Computational docking selegiline vs acquired_immunodeficiency_syndrome targets. Cross-check selegiline pharmacophore against acquired_immunodeficiency_syndrome pathway. terlipressin attention_deficit_hyperactivity_disorder GAP_LOW 0.1102 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs attention_deficit_hyperactivity_disorder targets. Cross-check terlipressin pharmacophore against attention_deficit_hyperactivity_disorder pathway. chlorpropamide hepatitis_b GAP_LOW 0.1102 0.05 trandolapril Low-priority: Computational docking chlorpropamide vs hepatitis_b targets. Cross-check chlorpropamide pharmacophore against hepatitis_b pathway. felypressin refractive_error GAP_LOW 0.1102 0.043478260869565216 droxidopa Low-priority: Computational docking felypressin vs refractive_error targets. Cross-check felypressin pharmacophore against refractive_error pathway. latanoprost type_1_diabetes_mellitus GAP_LOW 0.1102 0.043478260869565216 bromfenac Low-priority: Computational docking latanoprost vs type_1_diabetes_mellitus targets. Cross-check latanoprost pharmacophore against type_1_diabetes_mellitus pathway. terlipressin nephrolithiasis GAP_LOW 0.1102 0.043478260869565216 prednisone Low-priority: Computational docking terlipressin vs nephrolithiasis targets. Cross-check terlipressin pharmacophore against nephrolithiasis pathway. terlipressin refractive_error GAP_LOW 0.1102 0.043478260869565216 droxidopa Low-priority: Computational docking terlipressin vs refractive_error targets. Cross-check terlipressin pharmacophore against refractive_error pathway. l-methionine crohns_disease GAP_LOW 0.1102 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs crohns_disease targets. Cross-check l-methionine pharmacophore against crohns_disease pathway. l-asparagine sclerosing_cholangitis GAP_LOW 0.1102 0.03571428571428571 anisotropine_methylbromide Low-priority: Computational docking l-asparagine vs sclerosing_cholangitis targets. Cross-check l-asparagine pharmacophore against sclerosing_cholangitis pathway. candesartan thymus_cancer GAP_LOW 0.1102 0.0 hydrocortisone Low-priority: Computational docking candesartan vs thymus_cancer targets. Cross-check candesartan pharmacophore against thymus_cancer pathway. conivaptan azoospermia GAP_LOW 0.1102 0.0 phenylbutazone Low-priority: Computational docking conivaptan vs azoospermia targets. Cross-check conivaptan pharmacophore against azoospermia pathway. mannitol gout GAP_LOW 0.1102 0.0 methdilazine Low-priority: Computational docking mannitol vs gout targets. Cross-check mannitol pharmacophore against gout pathway. mannitol thymus_cancer GAP_LOW 0.1102 0.0 hydrocortisone Low-priority: Computational docking mannitol vs thymus_cancer targets. Cross-check mannitol pharmacophore against thymus_cancer pathway. pravastatin gout GAP_LOW 0.1102 0.0 methdilazine Low-priority: Computational docking pravastatin vs gout targets. Cross-check pravastatin pharmacophore against gout pathway. pravastatin thymus_cancer GAP_LOW 0.1102 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs thymus_cancer targets. Cross-check pravastatin pharmacophore against thymus_cancer pathway. methyldopa urinary_bladder_cancer GAP_HIGH 0.1101 0.3 l-dopa High-priority: Binding assay methyldopa→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.30) progesterone type_1_diabetes_mellitus GAP_HIGH 0.1101 0.2857142857142857 hydrocortisone High-priority: Binding assay progesterone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to hydrocortisone (Jaccard=0.29) clozapine malignant_mesothelioma GAP_HIGH 0.1101 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.24) etoricoxib atherosclerosis GAP_HIGH 0.1101 0.2 phenelzine High-priority: Binding assay etoricoxib→?; validate in atherosclerosis cell model. Expected: similar to phenelzine (Jaccard=0.20) oxcarbazepine celiac_disease GAP_HIGH 0.1101 0.19230769230769232 chlorcyclizine High-priority: Binding assay oxcarbazepine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.19) chlorphenesin testicular_cancer GAP_HIGH 0.1101 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in testicular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) chlorphenesin vaginal_cancer GAP_HIGH 0.1101 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in vaginal_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) chlorphenesin vulva_cancer GAP_HIGH 0.1101 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in vulva_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) phenformin thymus_cancer GAP_HIGH 0.1101 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in thymus_cancer cell model. Expected: similar to melphalan (Jaccard=0.15) furosemide hypertension GAP_LOW 0.1101 0.15 tamsulosin Low-priority: Computational docking furosemide vs hypertension targets. Cross-check furosemide pharmacophore against hypertension pathway. l-glutamine idiopathic_pulmonary_fibrosis GAP_LOW 0.1101 0.14634146341463414 acetylcysteine Low-priority: Computational docking l-glutamine vs idiopathic_pulmonary_fibrosis targets. Cross-check l-glutamine pharmacophore against idiopathic_pulmonary_fibrosis pathway. telmisartan testicular_cancer GAP_LOW 0.1101 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs testicular_cancer targets. Cross-check telmisartan pharmacophore against testicular_cancer pathway. olanzapine kidney_cancer GAP_LOW 0.1101 0.125 alendronate Low-priority: Computational docking olanzapine vs kidney_cancer targets. Cross-check olanzapine pharmacophore against kidney_cancer pathway. alitretinoin membranous_glomerulonephritis GAP_LOW 0.1101 0.1111111111111111 adefovir_dipivoxil Low-priority: Computational docking alitretinoin vs membranous_glomerulonephritis targets. Cross-check alitretinoin pharmacophore against membranous_glomerulonephritis pathway. clotiazepam idiopathic_pulmonary_fibrosis GAP_LOW 0.1101 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking clotiazepam vs idiopathic_pulmonary_fibrosis targets. Cross-check clotiazepam pharmacophore against idiopathic_pulmonary_fibrosis pathway. tolbutamide pharynx_cancer GAP_LOW 0.1101 0.08333333333333333 aminosalicylic_acid Low-priority: Computational docking tolbutamide vs pharynx_cancer targets. Cross-check tolbutamide pharmacophore against pharynx_cancer pathway. agomelatine nephrolithiasis GAP_LOW 0.1101 0.08 hydrocortisone Low-priority: Computational docking agomelatine vs nephrolithiasis targets. Cross-check agomelatine pharmacophore against nephrolithiasis pathway. nabumetone chronic_obstructive_pulmonary_disease GAP_LOW 0.1101 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs chronic_obstructive_pulmonary_disease targets. Cross-check nabumetone pharmacophore against chronic_obstructive_pulmonary_disease pathway. l-citrulline multiple_sclerosis GAP_LOW 0.1101 0.07142857142857142 glucosamine Low-priority: Computational docking l-citrulline vs multiple_sclerosis targets. Cross-check l-citrulline pharmacophore against multiple_sclerosis pathway. dyphylline thymus_cancer GAP_LOW 0.1101 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs thymus_cancer targets. Cross-check dyphylline pharmacophore against thymus_cancer pathway. ceruletide celiac_disease GAP_LOW 0.1101 0.0625 prednisone Low-priority: Computational docking ceruletide vs celiac_disease targets. Cross-check ceruletide pharmacophore against celiac_disease pathway. bimatoprost hematologic_cancer GAP_LOW 0.1101 0.058823529411764705 sotalol Low-priority: Computational docking bimatoprost vs hematologic_cancer targets. Cross-check bimatoprost pharmacophore against hematologic_cancer pathway. crizotinib bone_cancer GAP_LOW 0.1101 0.058823529411764705 tetrahydrofolic_acid Low-priority: Computational docking crizotinib vs bone_cancer targets. Cross-check crizotinib pharmacophore against bone_cancer pathway. dyphylline membranous_glomerulonephritis GAP_LOW 0.1101 0.05555555555555555 adenosine Low-priority: Computational docking dyphylline vs membranous_glomerulonephritis targets. Cross-check dyphylline pharmacophore against membranous_glomerulonephritis pathway. treprostinil primary_biliary_cirrhosis GAP_LOW 0.1101 0.05555555555555555 methyldopa Low-priority: Computational docking treprostinil vs primary_biliary_cirrhosis targets. Cross-check treprostinil pharmacophore against primary_biliary_cirrhosis pathway. tolazamide prostate_cancer GAP_LOW 0.1101 0.05263157894736842 propranolol Low-priority: Computational docking tolazamide vs prostate_cancer targets. Cross-check tolazamide pharmacophore against prostate_cancer pathway. bimatoprost azoospermia GAP_LOW 0.1101 0.05 naproxen Low-priority: Computational docking bimatoprost vs azoospermia targets. Cross-check bimatoprost pharmacophore against azoospermia pathway. treprostinil membranous_glomerulonephritis GAP_LOW 0.1101 0.047619047619047616 tamsulosin Low-priority: Computational docking treprostinil vs membranous_glomerulonephritis targets. Cross-check treprostinil pharmacophore against membranous_glomerulonephritis pathway. phenylephrine acquired_immunodeficiency_syndrome GAP_LOW 0.1101 0.04 vidarabine Low-priority: Computational docking phenylephrine vs acquired_immunodeficiency_syndrome targets. Cross-check phenylephrine pharmacophore against acquired_immunodeficiency_syndrome pathway. naloxone acquired_immunodeficiency_syndrome GAP_LOW 0.1101 0.015873015873015872 adenosine_monophosphate Low-priority: Computational docking naloxone vs acquired_immunodeficiency_syndrome targets. Cross-check naloxone pharmacophore against acquired_immunodeficiency_syndrome pathway. calcium_acetate brain_cancer GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs brain_cancer targets. Cross-check calcium_acetate pharmacophore against brain_cancer pathway. calcium_acetate intracranial_aneurysm GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs intracranial_aneurysm targets. Cross-check calcium_acetate pharmacophore against intracranial_aneurysm pathway. clotrimazole pagets_disease_of_bone GAP_LOW 0.1101 0.0 ibandronate Low-priority: Computational docking clotrimazole vs pagets_disease_of_bone targets. Cross-check clotrimazole pharmacophore against pagets_disease_of_bone pathway. lercanidipine brain_cancer GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs brain_cancer targets. Cross-check lercanidipine pharmacophore against brain_cancer pathway. lercanidipine intracranial_aneurysm GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs intracranial_aneurysm targets. Cross-check lercanidipine pharmacophore against intracranial_aneurysm pathway. mannitol coronary_artery_disease GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking mannitol vs coronary_artery_disease targets. Cross-check mannitol pharmacophore against coronary_artery_disease pathway. nimodipine brain_cancer GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs brain_cancer targets. Cross-check nimodipine pharmacophore against brain_cancer pathway. nimodipine intracranial_aneurysm GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs intracranial_aneurysm targets. Cross-check nimodipine pharmacophore against intracranial_aneurysm pathway. papaverine brain_cancer GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking papaverine vs brain_cancer targets. Cross-check papaverine pharmacophore against brain_cancer pathway. papaverine intracranial_aneurysm GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking papaverine vs intracranial_aneurysm targets. Cross-check papaverine pharmacophore against intracranial_aneurysm pathway. pirenzepine pagets_disease_of_bone GAP_LOW 0.1101 0.0 ibandronate Low-priority: Computational docking pirenzepine vs pagets_disease_of_bone targets. Cross-check pirenzepine pharmacophore against pagets_disease_of_bone pathway. tofisopam brain_cancer GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking tofisopam vs brain_cancer targets. Cross-check tofisopam pharmacophore against brain_cancer pathway. tofisopam intracranial_aneurysm GAP_LOW 0.1101 0.0 hydrocortisone Low-priority: Computational docking tofisopam vs intracranial_aneurysm targets. Cross-check tofisopam pharmacophore against intracranial_aneurysm pathway. progesterone mediastinal_cancer GAP_HIGH 0.11 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in mediastinal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) clotrimazole pharynx_cancer GAP_HIGH 0.11 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) dexamethasone narcolepsy GAP_HIGH 0.11 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.27) atomoxetine meningioma GAP_HIGH 0.11 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.27) estrone type_1_diabetes_mellitus GAP_HIGH 0.11 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.27) chlordiazepoxide melanoma GAP_HIGH 0.11 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) aprindine peripheral_nervous_system_neoplasm GAP_HIGH 0.11 0.2222222222222222 aspartame High-priority: Binding assay aprindine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to aspartame (Jaccard=0.22) clodronate epilepsy_syndrome GAP_HIGH 0.11 0.2 metolazone High-priority: Binding assay clodronate→?; validate in epilepsy_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) podofilox amyotrophic_lateral_sclerosis GAP_HIGH 0.11 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to thioridazine (Jaccard=0.20) l-glutamine systemic_lupus_erythematosus GAP_HIGH 0.11 0.1728395061728395 penicillamine High-priority: Binding assay l-glutamine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to penicillamine (Jaccard=0.17) chlorphenesin vascular_cancer GAP_HIGH 0.11 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in vascular_cancer cell model. Expected: similar to pantoprazole (Jaccard=0.17) cyproterone_acetate alzheimers_disease GAP_HIGH 0.11 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in alzheimers_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) cyproterone_acetate parkinsons_disease GAP_HIGH 0.11 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in parkinsons_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) pamidronate rectum_cancer GAP_HIGH 0.11 0.16666666666666666 trifluoperazine High-priority: Binding assay pamidronate→?; validate in rectum_cancer cell model. Expected: similar to trifluoperazine (Jaccard=0.17) afatinib celiac_disease GAP_HIGH 0.11 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in celiac_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) imatinib polycystic_ovary_syndrome GAP_HIGH 0.11 0.15714285714285714 gefitinib High-priority: Binding assay imatinib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gefitinib (Jaccard=0.16) furosemide thyroid_cancer GAP_LOW 0.11 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs thyroid_cancer targets. Cross-check furosemide pharmacophore against thyroid_cancer pathway. telmisartan vascular_cancer GAP_LOW 0.11 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs vascular_cancer targets. Cross-check telmisartan pharmacophore against vascular_cancer pathway. adinazolam vascular_cancer GAP_LOW 0.11 0.125 chlorpromazine Low-priority: Computational docking adinazolam vs vascular_cancer targets. Cross-check adinazolam pharmacophore against vascular_cancer pathway. olanzapine nephrolithiasis GAP_LOW 0.11 0.125 alendronate Low-priority: Computational docking olanzapine vs nephrolithiasis targets. Cross-check olanzapine pharmacophore against nephrolithiasis pathway. pralatrexate parkinsons_disease GAP_LOW 0.11 0.125 olsalazine Low-priority: Computational docking pralatrexate vs parkinsons_disease targets. Cross-check pralatrexate pharmacophore against parkinsons_disease pathway. tretinoin ankylosing_spondylitis GAP_LOW 0.11 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs ankylosing_spondylitis targets. Cross-check tretinoin pharmacophore against ankylosing_spondylitis pathway. dihydrotachysterol ankylosing_spondylitis GAP_LOW 0.11 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs ankylosing_spondylitis targets. Cross-check dihydrotachysterol pharmacophore against ankylosing_spondylitis pathway. adinazolam prostate_cancer GAP_LOW 0.11 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs prostate_cancer targets. Cross-check adinazolam pharmacophore against prostate_cancer pathway. aspartame malaria GAP_LOW 0.11 0.1 tranylcypromine Low-priority: Computational docking aspartame vs malaria targets. Cross-check aspartame pharmacophore against malaria pathway. nabumetone asthma GAP_LOW 0.11 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs asthma targets. Cross-check nabumetone pharmacophore against asthma pathway. remifentanil meningioma GAP_LOW 0.11 0.08 methadone Low-priority: Computational docking remifentanil vs meningioma targets. Cross-check remifentanil pharmacophore against meningioma pathway. crizotinib alcohol_dependence GAP_LOW 0.11 0.07142857142857142 naloxone Low-priority: Computational docking crizotinib vs alcohol_dependence targets. Cross-check crizotinib pharmacophore against alcohol_dependence pathway. nilotinib alopecia_areata GAP_LOW 0.11 0.06666666666666667 dexamethasone Low-priority: Computational docking nilotinib vs alopecia_areata targets. Cross-check nilotinib pharmacophore against alopecia_areata pathway. pasireotide salivary_gland_cancer GAP_LOW 0.11 0.05555555555555555 droxidopa Low-priority: Computational docking pasireotide vs salivary_gland_cancer targets. Cross-check pasireotide pharmacophore against salivary_gland_cancer pathway. triamterene chronic_kidney_failure GAP_LOW 0.11 0.05 acetylsalicylic_acid Low-priority: Computational docking triamterene vs chronic_kidney_failure targets. Cross-check triamterene pharmacophore against chronic_kidney_failure pathway. nabumetone chronic_kidney_failure GAP_LOW 0.11 0.043478260869565216 dimetacrine Low-priority: Computational docking nabumetone vs chronic_kidney_failure targets. Cross-check nabumetone pharmacophore against chronic_kidney_failure pathway. imatinib acquired_immunodeficiency_syndrome GAP_LOW 0.11 0.02631578947368421 nateglinide Low-priority: Computational docking imatinib vs acquired_immunodeficiency_syndrome targets. Cross-check imatinib pharmacophore against acquired_immunodeficiency_syndrome pathway. arformoterol gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking arformoterol vs gestational_diabetes targets. Cross-check arformoterol pharmacophore against gestational_diabetes pathway. atenolol bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking atenolol vs bone_cancer targets. Cross-check atenolol pharmacophore against bone_cancer pathway. calcitriol bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking calcitriol vs bone_cancer targets. Cross-check calcitriol pharmacophore against bone_cancer pathway. calcitriol gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking calcitriol vs gestational_diabetes targets. Cross-check calcitriol pharmacophore against gestational_diabetes pathway. conjugated_estrogens bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking conjugated_estrogens vs bone_cancer targets. Cross-check conjugated_estrogens pharmacophore against bone_cancer pathway. conjugated_estrogens gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking conjugated_estrogens vs gestational_diabetes targets. Cross-check conjugated_estrogens pharmacophore against gestational_diabetes pathway. ergocalciferol bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking ergocalciferol vs bone_cancer targets. Cross-check ergocalciferol pharmacophore against bone_cancer pathway. ergocalciferol gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking ergocalciferol vs gestational_diabetes targets. Cross-check ergocalciferol pharmacophore against gestational_diabetes pathway. hydrochlorothiazide bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking hydrochlorothiazide vs bone_cancer targets. Cross-check hydrochlorothiazide pharmacophore against bone_cancer pathway. hydrochlorothiazide gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking hydrochlorothiazide vs gestational_diabetes targets. Cross-check hydrochlorothiazide pharmacophore against gestational_diabetes pathway. mannitol hematologic_cancer GAP_LOW 0.11 0.0 hydrocortisone Low-priority: Computational docking mannitol vs hematologic_cancer targets. Cross-check mannitol pharmacophore against hematologic_cancer pathway. mannitol narcolepsy GAP_LOW 0.11 0.0 phenylbutazone Low-priority: Computational docking mannitol vs narcolepsy targets. Cross-check mannitol pharmacophore against narcolepsy pathway. ospemifene bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking ospemifene vs bone_cancer targets. Cross-check ospemifene pharmacophore against bone_cancer pathway. remifentanil bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking remifentanil vs bone_cancer targets. Cross-check remifentanil pharmacophore against bone_cancer pathway. remifentanil gestational_diabetes GAP_LOW 0.11 0.0 tolazamide Low-priority: Computational docking remifentanil vs gestational_diabetes targets. Cross-check remifentanil pharmacophore against gestational_diabetes pathway. telmisartan bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking telmisartan vs bone_cancer targets. Cross-check telmisartan pharmacophore against bone_cancer pathway. tropicamide bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking tropicamide vs bone_cancer targets. Cross-check tropicamide pharmacophore against bone_cancer pathway. vitamin_a bone_cancer GAP_LOW 0.11 0.0 ibandronate Low-priority: Computational docking vitamin_a vs bone_cancer targets. Cross-check vitamin_a pharmacophore against bone_cancer pathway. clomipramine sclerosing_cholangitis GAP_HIGH 0.1099 0.3448275862068966 chlordiazepoxide High-priority: Binding assay clomipramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.34) warfarin uterine_cancer GAP_HIGH 0.1099 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) progesterone thymus_cancer GAP_HIGH 0.1099 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in thymus_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) diphenylpyraline type_1_diabetes_mellitus GAP_HIGH 0.1099 0.30434782608695654 benzatropine High-priority: Binding assay diphenylpyraline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.30) exemestane conduct_disorder GAP_HIGH 0.1099 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.28) exemestane panic_disorder GAP_HIGH 0.1099 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.28) l-tyrosine crohns_disease GAP_HIGH 0.1099 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in crohns_disease cell model. Expected: similar to suprofen (Jaccard=0.28) diazepam sarcoma GAP_HIGH 0.1099 0.25 chlorcyclizine High-priority: Binding assay diazepam→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.25) phenprocoumon vaginal_cancer GAP_HIGH 0.1099 0.25 tamoxifen High-priority: Binding assay phenprocoumon→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) phenprocoumon vulva_cancer GAP_HIGH 0.1099 0.25 tamoxifen High-priority: Binding assay phenprocoumon→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) ketoprofen salivary_gland_cancer GAP_HIGH 0.1099 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to epinephrine (Jaccard=0.22) phenprocoumon meningioma GAP_HIGH 0.1099 0.2222222222222222 modafinil High-priority: Binding assay phenprocoumon→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.22) epirubicin psoriatic_arthritis GAP_HIGH 0.1099 0.2 nitroglycerin High-priority: Binding assay epirubicin→?; validate in psoriatic_arthritis cell model. Expected: similar to nitroglycerin (Jaccard=0.20) cyproterone_acetate autistic_disorder GAP_HIGH 0.1099 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) cyproterone_acetate nicotine_dependence GAP_HIGH 0.1099 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in nicotine_dependence cell model. Expected: similar to dextromethorphan (Jaccard=0.17) afatinib chronic_kidney_failure GAP_HIGH 0.1099 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) clonazepam malignant_mesothelioma GAP_LOW 0.1099 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs malignant_mesothelioma targets. Cross-check clonazepam pharmacophore against malignant_mesothelioma pathway. medroxyprogesterone_acetate chronic_kidney_failure GAP_LOW 0.1099 0.125 ergocalciferol Low-priority: Computational docking medroxyprogesterone_acetate vs chronic_kidney_failure targets. Cross-check medroxyprogesterone_acetate pharmacophore against chronic_kidney_failure pathway. pralatrexate amyotrophic_lateral_sclerosis GAP_LOW 0.1099 0.125 olsalazine Low-priority: Computational docking pralatrexate vs amyotrophic_lateral_sclerosis targets. Cross-check pralatrexate pharmacophore against amyotrophic_lateral_sclerosis pathway. chlorthalidone celiac_disease GAP_LOW 0.1099 0.11538461538461539 pseudoephedrine Low-priority: Computational docking chlorthalidone vs celiac_disease targets. Cross-check chlorthalidone pharmacophore against celiac_disease pathway. chlorpropamide uterine_cancer GAP_LOW 0.1099 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs uterine_cancer targets. Cross-check chlorpropamide pharmacophore against uterine_cancer pathway. orphenadrine malaria GAP_LOW 0.1099 0.1111111111111111 modafinil Low-priority: Computational docking orphenadrine vs malaria targets. Cross-check orphenadrine pharmacophore against malaria pathway. proparacaine rectum_cancer GAP_LOW 0.1099 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs rectum_cancer targets. Cross-check proparacaine pharmacophore against rectum_cancer pathway. paricalcitol thymus_cancer GAP_LOW 0.1099 0.1 pasireotide Low-priority: Computational docking paricalcitol vs thymus_cancer targets. Cross-check paricalcitol pharmacophore against thymus_cancer pathway. nabumetone stomach_cancer GAP_LOW 0.1099 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs stomach_cancer targets. Cross-check nabumetone pharmacophore against stomach_cancer pathway. antazoline bone_cancer GAP_LOW 0.1099 0.07692307692307693 alendronate Low-priority: Computational docking antazoline vs bone_cancer targets. Cross-check antazoline pharmacophore against bone_cancer pathway. hydrochlorothiazide penile_cancer GAP_LOW 0.1099 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs penile_cancer targets. Cross-check hydrochlorothiazide pharmacophore against penile_cancer pathway. midodrine sarcoma GAP_LOW 0.1099 0.07692307692307693 pasireotide Low-priority: Computational docking midodrine vs sarcoma targets. Cross-check midodrine pharmacophore against sarcoma pathway. diclofenamide gilles_de_la_tourette_syndrome GAP_LOW 0.1099 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs gilles_de_la_tourette_syndrome targets. Cross-check diclofenamide pharmacophore against gilles_de_la_tourette_syndrome pathway. midodrine salivary_gland_cancer GAP_LOW 0.1099 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs salivary_gland_cancer targets. Cross-check midodrine pharmacophore against salivary_gland_cancer pathway. desmopressin celiac_disease GAP_LOW 0.1099 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs celiac_disease targets. Cross-check desmopressin pharmacophore against celiac_disease pathway. terlipressin asthma GAP_LOW 0.1099 0.06666666666666667 stanozolol Low-priority: Computational docking terlipressin vs asthma targets. Cross-check terlipressin pharmacophore against asthma pathway. terlipressin conduct_disorder GAP_LOW 0.1099 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs conduct_disorder targets. Cross-check terlipressin pharmacophore against conduct_disorder pathway. terlipressin panic_disorder GAP_LOW 0.1099 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs panic_disorder targets. Cross-check terlipressin pharmacophore against panic_disorder pathway. terlipressin schizophrenia GAP_LOW 0.1099 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs schizophrenia targets. Cross-check terlipressin pharmacophore against schizophrenia pathway. dyphylline kidney_cancer GAP_LOW 0.1099 0.047619047619047616 lamivudine Low-priority: Computational docking dyphylline vs kidney_cancer targets. Cross-check dyphylline pharmacophore against kidney_cancer pathway. midodrine refractive_error GAP_LOW 0.1099 0.045454545454545456 droxidopa Low-priority: Computational docking midodrine vs refractive_error targets. Cross-check midodrine pharmacophore against refractive_error pathway. l-asparagine duodenum_cancer GAP_LOW 0.1099 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs duodenum_cancer targets. Cross-check l-asparagine pharmacophore against duodenum_cancer pathway. l-asparagine gallbladder_cancer GAP_LOW 0.1099 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs gallbladder_cancer targets. Cross-check l-asparagine pharmacophore against gallbladder_cancer pathway. l-asparagine melanoma GAP_LOW 0.1099 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs melanoma targets. Cross-check l-asparagine pharmacophore against melanoma pathway. glucosamine gestational_diabetes GAP_LOW 0.1099 0.029411764705882353 gliclazide Low-priority: Computational docking glucosamine vs gestational_diabetes targets. Cross-check glucosamine pharmacophore against gestational_diabetes pathway. l-carnitine alopecia_areata GAP_LOW 0.1099 0.0 hydrocortisone Low-priority: Computational docking l-carnitine vs alopecia_areata targets. Cross-check l-carnitine pharmacophore against alopecia_areata pathway. linaclotide alopecia_areata GAP_LOW 0.1099 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs alopecia_areata targets. Cross-check linaclotide pharmacophore against alopecia_areata pathway. quinacrine alopecia_areata GAP_LOW 0.1099 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs alopecia_areata targets. Cross-check quinacrine pharmacophore against alopecia_areata pathway. thiothixene mediastinal_cancer GAP_HIGH 0.1098 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in mediastinal_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.33) aminosalicylic_acid migraine GAP_HIGH 0.1098 0.3 salicylate-sodium High-priority: Binding assay aminosalicylic_acid→?; validate in migraine cell model. Expected: similar to salicylate-sodium (Jaccard=0.30) alimemazine celiac_disease GAP_HIGH 0.1098 0.25925925925925924 diphenhydramine High-priority: Binding assay alimemazine→?; validate in celiac_disease cell model. Expected: similar to diphenhydramine (Jaccard=0.26) fosphenytoin vaginal_cancer GAP_HIGH 0.1098 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in vaginal_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) fosphenytoin vulva_cancer GAP_HIGH 0.1098 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in vulva_cancer cell model. Expected: similar to clobazam (Jaccard=0.24) vinblastine gout GAP_HIGH 0.1098 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in gout cell model. Expected: similar to epinastine (Jaccard=0.20) doxorubicin hepatitis_b GAP_HIGH 0.1098 0.1724137931034483 glucosamine High-priority: Binding assay doxorubicin→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.17) chlorphenesin systemic_scleroderma GAP_HIGH 0.1098 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in systemic_scleroderma cell model. Expected: similar to pantoprazole (Jaccard=0.17) pamidronate alzheimers_disease GAP_HIGH 0.1098 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in alzheimers_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate parkinsons_disease GAP_HIGH 0.1098 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in parkinsons_disease cell model. Expected: similar to phenelzine (Jaccard=0.17) pimozide melanoma GAP_HIGH 0.1098 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in melanoma cell model. Expected: similar to fentanyl (Jaccard=0.16) diclofenac refractive_error GAP_HIGH 0.1098 0.15384615384615385 epinephrine High-priority: Binding assay diclofenac→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.15) pimozide hematologic_cancer GAP_HIGH 0.1098 0.15384615384615385 ifenprodil High-priority: Binding assay pimozide→?; validate in hematologic_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) sunitinib atherosclerosis GAP_HIGH 0.1098 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in atherosclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) etonogestrel parkinsons_disease GAP_LOW 0.1098 0.14285714285714285 raloxifene Low-priority: Computational docking etonogestrel vs parkinsons_disease targets. Cross-check etonogestrel pharmacophore against parkinsons_disease pathway. hydromorphone vaginal_cancer GAP_LOW 0.1098 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs vaginal_cancer targets. Cross-check hydromorphone pharmacophore against vaginal_cancer pathway. hydromorphone vulva_cancer GAP_LOW 0.1098 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs vulva_cancer targets. Cross-check hydromorphone pharmacophore against vulva_cancer pathway. tolmetin kidney_cancer GAP_LOW 0.1098 0.13333333333333333 clofibrate Low-priority: Computational docking tolmetin vs kidney_cancer targets. Cross-check tolmetin pharmacophore against kidney_cancer pathway. estazolam kidney_cancer GAP_LOW 0.1098 0.125 quinacrine Low-priority: Computational docking estazolam vs kidney_cancer targets. Cross-check estazolam pharmacophore against kidney_cancer pathway. telmisartan duodenum_cancer GAP_LOW 0.1098 0.125 desipramine Low-priority: Computational docking telmisartan vs duodenum_cancer targets. Cross-check telmisartan pharmacophore against duodenum_cancer pathway. telmisartan gallbladder_cancer GAP_LOW 0.1098 0.125 desipramine Low-priority: Computational docking telmisartan vs gallbladder_cancer targets. Cross-check telmisartan pharmacophore against gallbladder_cancer pathway. ziprasidone mediastinal_cancer GAP_LOW 0.1098 0.125 alendronate Low-priority: Computational docking ziprasidone vs mediastinal_cancer targets. Cross-check ziprasidone pharmacophore against mediastinal_cancer pathway. alitretinoin germ_cell_cancer GAP_LOW 0.1098 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs germ_cell_cancer targets. Cross-check alitretinoin pharmacophore against germ_cell_cancer pathway. adinazolam mediastinal_cancer GAP_LOW 0.1098 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs mediastinal_cancer targets. Cross-check adinazolam pharmacophore against mediastinal_cancer pathway. nateglinide leprosy GAP_LOW 0.1098 0.10526315789473684 sulfamethizole Low-priority: Computational docking nateglinide vs leprosy targets. Cross-check nateglinide pharmacophore against leprosy pathway. droperidol type_1_diabetes_mellitus GAP_LOW 0.1098 0.1 cyclopentolate Low-priority: Computational docking droperidol vs type_1_diabetes_mellitus targets. Cross-check droperidol pharmacophore against type_1_diabetes_mellitus pathway. proparacaine meningioma GAP_LOW 0.1098 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs meningioma targets. Cross-check proparacaine pharmacophore against meningioma pathway. furosemide larynx_cancer GAP_LOW 0.1098 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs larynx_cancer targets. Cross-check furosemide pharmacophore against larynx_cancer pathway. dasatinib refractive_error GAP_LOW 0.1098 0.08333333333333333 dinoprost_tromethamine Low-priority: Computational docking dasatinib vs refractive_error targets. Cross-check dasatinib pharmacophore against refractive_error pathway. nabumetone salivary_gland_cancer GAP_LOW 0.1098 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs salivary_gland_cancer targets. Cross-check nabumetone pharmacophore against salivary_gland_cancer pathway. midodrine muscle_cancer GAP_LOW 0.1098 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs muscle_cancer targets. Cross-check midodrine pharmacophore against muscle_cancer pathway. oxybuprocaine alcohol_dependence GAP_LOW 0.1098 0.07142857142857142 ethylmorphine Low-priority: Computational docking oxybuprocaine vs alcohol_dependence targets. Cross-check oxybuprocaine pharmacophore against alcohol_dependence pathway. felypressin atopic_dermatitis GAP_LOW 0.1098 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs atopic_dermatitis targets. Cross-check felypressin pharmacophore against atopic_dermatitis pathway. felypressin colon_cancer GAP_LOW 0.1098 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs colon_cancer targets. Cross-check felypressin pharmacophore against colon_cancer pathway. terlipressin allergic_rhinitis GAP_LOW 0.1098 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs allergic_rhinitis targets. Cross-check terlipressin pharmacophore against allergic_rhinitis pathway. terlipressin atopic_dermatitis GAP_LOW 0.1098 0.06666666666666667 salicylate-sodium Low-priority: Computational docking terlipressin vs atopic_dermatitis targets. Cross-check terlipressin pharmacophore against atopic_dermatitis pathway. vapreotide mediastinal_cancer GAP_LOW 0.1098 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs mediastinal_cancer targets. Cross-check vapreotide pharmacophore against mediastinal_cancer pathway. pasireotide muscle_cancer GAP_LOW 0.1098 0.05555555555555555 droxidopa Low-priority: Computational docking pasireotide vs muscle_cancer targets. Cross-check pasireotide pharmacophore against muscle_cancer pathway. l-glutamine dilated_cardiomyopathy GAP_LOW 0.1098 0.012048192771084338 trandolapril Low-priority: Computational docking l-glutamine vs dilated_cardiomyopathy targets. Cross-check l-glutamine pharmacophore against dilated_cardiomyopathy pathway. alimemazine pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking alimemazine vs pagets_disease_of_bone targets. Cross-check alimemazine pharmacophore against pagets_disease_of_bone pathway. amlodipine germ_cell_cancer GAP_LOW 0.1098 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs germ_cell_cancer targets. Cross-check amlodipine pharmacophore against germ_cell_cancer pathway. amodiaquine germ_cell_cancer GAP_LOW 0.1098 0.0 hydrocortisone Low-priority: Computational docking amodiaquine vs germ_cell_cancer targets. Cross-check amodiaquine pharmacophore against germ_cell_cancer pathway. betamethasone pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking betamethasone vs pagets_disease_of_bone targets. Cross-check betamethasone pharmacophore against pagets_disease_of_bone pathway. conivaptan germ_cell_cancer GAP_LOW 0.1098 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs germ_cell_cancer targets. Cross-check conivaptan pharmacophore against germ_cell_cancer pathway. methotrimeprazine pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking methotrimeprazine vs pagets_disease_of_bone targets. Cross-check methotrimeprazine pharmacophore against pagets_disease_of_bone pathway. phenytoin pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking phenytoin vs pagets_disease_of_bone targets. Cross-check phenytoin pharmacophore against pagets_disease_of_bone pathway. promethazine pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking promethazine vs pagets_disease_of_bone targets. Cross-check promethazine pharmacophore against pagets_disease_of_bone pathway. trifluoperazine pagets_disease_of_bone GAP_LOW 0.1098 0.0 ibandronate Low-priority: Computational docking trifluoperazine vs pagets_disease_of_bone targets. Cross-check trifluoperazine pharmacophore against pagets_disease_of_bone pathway. thiothixene thymus_cancer GAP_HIGH 0.1097 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in thymus_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.33) clotrimazole chronic_obstructive_pulmonary_disease GAP_HIGH 0.1097 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ifenprodil (Jaccard=0.28) exemestane bipolar_disorder GAP_HIGH 0.1097 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.28) l-tyrosine penile_cancer GAP_HIGH 0.1097 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) brompheniramine uterine_cancer GAP_HIGH 0.1097 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in uterine_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) bevantolol systemic_scleroderma GAP_HIGH 0.1097 0.24 clotrimazole High-priority: Binding assay bevantolol→?; validate in systemic_scleroderma cell model. Expected: similar to clotrimazole (Jaccard=0.24) oxcarbazepine hematologic_cancer GAP_HIGH 0.1097 0.21428571428571427 diethylpropion High-priority: Binding assay oxcarbazepine→?; validate in hematologic_cancer cell model. Expected: similar to diethylpropion (Jaccard=0.21) fulvestrant schizophrenia GAP_HIGH 0.1097 0.2 dienestrol High-priority: Binding assay fulvestrant→?; validate in schizophrenia cell model. Expected: similar to dienestrol (Jaccard=0.20) mestranol panic_disorder GAP_HIGH 0.1097 0.2 dienestrol High-priority: Binding assay mestranol→?; validate in panic_disorder cell model. Expected: similar to dienestrol (Jaccard=0.20) mestranol schizophrenia GAP_HIGH 0.1097 0.2 dienestrol High-priority: Binding assay mestranol→?; validate in schizophrenia cell model. Expected: similar to dienestrol (Jaccard=0.20) testosterone pancreatitis GAP_HIGH 0.1097 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) fulvestrant penile_cancer GAP_HIGH 0.1097 0.17647058823529413 betamethasone High-priority: Binding assay fulvestrant→?; validate in penile_cancer cell model. Expected: similar to betamethasone (Jaccard=0.18) s-adenosylmethionine penile_cancer GAP_HIGH 0.1097 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in penile_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) chlorphenesin uterine_fibroid GAP_HIGH 0.1097 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in uterine_fibroid cell model. Expected: similar to pantoprazole (Jaccard=0.17) cyproterone_acetate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1097 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) pamidronate amyotrophic_lateral_sclerosis GAP_HIGH 0.1097 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate autistic_disorder GAP_HIGH 0.1097 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in autistic_disorder cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate nicotine_dependence GAP_HIGH 0.1097 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in nicotine_dependence cell model. Expected: similar to phenelzine (Jaccard=0.17) etonogestrel amyotrophic_lateral_sclerosis GAP_LOW 0.1097 0.14285714285714285 raloxifene Low-priority: Computational docking etonogestrel vs amyotrophic_lateral_sclerosis targets. Cross-check etonogestrel pharmacophore against amyotrophic_lateral_sclerosis pathway. furosemide salivary_gland_cancer GAP_LOW 0.1097 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs salivary_gland_cancer targets. Cross-check furosemide pharmacophore against salivary_gland_cancer pathway. telmisartan uterine_fibroid GAP_LOW 0.1097 0.14285714285714285 aspartame Low-priority: Computational docking telmisartan vs uterine_fibroid targets. Cross-check telmisartan pharmacophore against uterine_fibroid pathway. ziprasidone sarcoma GAP_LOW 0.1097 0.14285714285714285 vorinostat Low-priority: Computational docking ziprasidone vs sarcoma targets. Cross-check ziprasidone pharmacophore against sarcoma pathway. adenine head_and_neck_cancer GAP_LOW 0.1097 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs head_and_neck_cancer targets. Cross-check adenine pharmacophore against head_and_neck_cancer pathway. adenine malignant_glioma GAP_LOW 0.1097 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs malignant_glioma targets. Cross-check adenine pharmacophore against malignant_glioma pathway. ziprasidone thymus_cancer GAP_LOW 0.1097 0.125 alendronate Low-priority: Computational docking ziprasidone vs thymus_cancer targets. Cross-check ziprasidone pharmacophore against thymus_cancer pathway. mefenamic_acid gestational_diabetes GAP_LOW 0.1097 0.10344827586206896 bezafibrate Low-priority: Computational docking mefenamic_acid vs gestational_diabetes targets. Cross-check mefenamic_acid pharmacophore against gestational_diabetes pathway. nabumetone vitiligo GAP_LOW 0.1097 0.09090909090909091 naproxen Low-priority: Computational docking nabumetone vs vitiligo targets. Cross-check nabumetone pharmacophore against vitiligo pathway. vitamin_a coronary_artery_disease GAP_LOW 0.1097 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs coronary_artery_disease targets. Cross-check vitamin_a pharmacophore against coronary_artery_disease pathway. hydrochlorothiazide melanoma GAP_LOW 0.1097 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs melanoma targets. Cross-check hydrochlorothiazide pharmacophore against melanoma pathway. olanzapine malaria GAP_LOW 0.1097 0.08333333333333333 aminoglutethimide Low-priority: Computational docking olanzapine vs malaria targets. Cross-check olanzapine pharmacophore against malaria pathway. nabumetone muscle_cancer GAP_LOW 0.1097 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs muscle_cancer targets. Cross-check nabumetone pharmacophore against muscle_cancer pathway. terlipressin bipolar_disorder GAP_LOW 0.1097 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs bipolar_disorder targets. Cross-check terlipressin pharmacophore against bipolar_disorder pathway. treprostinil sclerosing_cholangitis GAP_LOW 0.1097 0.058823529411764705 salsalate Low-priority: Computational docking treprostinil vs sclerosing_cholangitis targets. Cross-check treprostinil pharmacophore against sclerosing_cholangitis pathway. midodrine malignant_mesothelioma GAP_LOW 0.1097 0.05555555555555555 diphemanil_methylsulfate Low-priority: Computational docking midodrine vs malignant_mesothelioma targets. Cross-check midodrine pharmacophore against malignant_mesothelioma pathway. pasireotide ocular_cancer GAP_LOW 0.1097 0.05555555555555555 droxidopa Low-priority: Computational docking pasireotide vs ocular_cancer targets. Cross-check pasireotide pharmacophore against ocular_cancer pathway. trifluridine azoospermia GAP_LOW 0.1097 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking trifluridine vs azoospermia targets. Cross-check trifluridine pharmacophore against azoospermia pathway. l-asparagine ankylosing_spondylitis GAP_LOW 0.1097 0.03571428571428571 anisotropine_methylbromide Low-priority: Computational docking l-asparagine vs ankylosing_spondylitis targets. Cross-check l-asparagine pharmacophore against ankylosing_spondylitis pathway. midodrine hepatitis_b GAP_LOW 0.1097 0.025 adenosine_triphosphate Low-priority: Computational docking midodrine vs hepatitis_b targets. Cross-check midodrine pharmacophore against hepatitis_b pathway. exemestane endogenous_depression GAP_HIGH 0.1096 0.2777777777777778 levorphanol High-priority: Binding assay exemestane→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.28) cinnarizine skin_cancer GAP_HIGH 0.1096 0.2222222222222222 bepridil High-priority: Binding assay cinnarizine→?; validate in skin_cancer cell model. Expected: similar to bepridil (Jaccard=0.22) ketoprofen ocular_cancer GAP_HIGH 0.1096 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in ocular_cancer cell model. Expected: similar to epinephrine (Jaccard=0.22) adenosine_triphosphate skin_cancer GAP_HIGH 0.1096 0.20512820512820512 clofarabine High-priority: Binding assay adenosine_triphosphate→?; validate in skin_cancer cell model. Expected: similar to clofarabine (Jaccard=0.21) acetophenazine type_1_diabetes_mellitus GAP_HIGH 0.1096 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to atropine (Jaccard=0.20) clobazam thyroid_cancer GAP_HIGH 0.1096 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) fulvestrant hypertension GAP_HIGH 0.1096 0.2 dienestrol High-priority: Binding assay fulvestrant→?; validate in hypertension cell model. Expected: similar to dienestrol (Jaccard=0.20) prednisolone refractive_error GAP_HIGH 0.1096 0.2 succinylcholine High-priority: Binding assay prednisolone→?; validate in refractive_error cell model. Expected: similar to succinylcholine (Jaccard=0.20) salicylic_acid focal_segmental_glomerulosclerosis GAP_HIGH 0.1096 0.2 mefenamic_acid High-priority: Binding assay salicylic_acid→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to mefenamic_acid (Jaccard=0.20) testosterone salivary_gland_cancer GAP_HIGH 0.1096 0.18181818181818182 fluoxymesterone High-priority: Binding assay testosterone→?; validate in salivary_gland_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.18) flurazepam skin_cancer GAP_LOW 0.1096 0.14285714285714285 oxcarbazepine Low-priority: Computational docking flurazepam vs skin_cancer targets. Cross-check flurazepam pharmacophore against skin_cancer pathway. hydromorphone vascular_cancer GAP_LOW 0.1096 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs vascular_cancer targets. Cross-check hydromorphone pharmacophore against vascular_cancer pathway. methamphetamine malaria GAP_LOW 0.1096 0.14285714285714285 tranylcypromine Low-priority: Computational docking methamphetamine vs malaria targets. Cross-check methamphetamine pharmacophore against malaria pathway. trilostane epilepsy_syndrome GAP_LOW 0.1096 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs epilepsy_syndrome targets. Cross-check trilostane pharmacophore against epilepsy_syndrome pathway. adenine kidney_cancer GAP_LOW 0.1096 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs kidney_cancer targets. Cross-check adenine pharmacophore against kidney_cancer pathway. practolol idiopathic_pulmonary_fibrosis GAP_LOW 0.1096 0.125 penbutolol Low-priority: Computational docking practolol vs idiopathic_pulmonary_fibrosis targets. Cross-check practolol pharmacophore against idiopathic_pulmonary_fibrosis pathway. nilotinib amyotrophic_lateral_sclerosis GAP_LOW 0.1096 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs amyotrophic_lateral_sclerosis targets. Cross-check nilotinib pharmacophore against amyotrophic_lateral_sclerosis pathway. cinchocaine mediastinal_cancer GAP_LOW 0.1096 0.1111111111111111 warfarin Low-priority: Computational docking cinchocaine vs mediastinal_cancer targets. Cross-check cinchocaine pharmacophore against mediastinal_cancer pathway. dasatinib creutzfeldt-jakob_disease GAP_LOW 0.1096 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs creutzfeldt-jakob_disease targets. Cross-check dasatinib pharmacophore against creutzfeldt-jakob_disease pathway. adinazolam thymus_cancer GAP_LOW 0.1096 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs thymus_cancer targets. Cross-check adinazolam pharmacophore against thymus_cancer pathway. ergocalciferol hematologic_cancer GAP_LOW 0.1096 0.1 cyproterone_acetate Low-priority: Computational docking ergocalciferol vs hematologic_cancer targets. Cross-check ergocalciferol pharmacophore against hematologic_cancer pathway. ergocalciferol narcolepsy GAP_LOW 0.1096 0.1 salicylate-sodium Low-priority: Computational docking ergocalciferol vs narcolepsy targets. Cross-check ergocalciferol pharmacophore against narcolepsy pathway. nabumetone ocular_cancer GAP_LOW 0.1096 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs ocular_cancer targets. Cross-check nabumetone pharmacophore against ocular_cancer pathway. midodrine ocular_cancer GAP_LOW 0.1096 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs ocular_cancer targets. Cross-check midodrine pharmacophore against ocular_cancer pathway. naloxone focal_segmental_glomerulosclerosis GAP_LOW 0.1096 0.07142857142857142 chlorthalidone Low-priority: Computational docking naloxone vs focal_segmental_glomerulosclerosis targets. Cross-check naloxone pharmacophore against focal_segmental_glomerulosclerosis pathway. terlipressin endogenous_depression GAP_LOW 0.1096 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs endogenous_depression targets. Cross-check terlipressin pharmacophore against endogenous_depression pathway. chlorpropamide focal_segmental_glomerulosclerosis GAP_LOW 0.1096 0.0625 indapamide Low-priority: Computational docking chlorpropamide vs focal_segmental_glomerulosclerosis targets. Cross-check chlorpropamide pharmacophore against focal_segmental_glomerulosclerosis pathway. colchicine chronic_kidney_failure GAP_LOW 0.1096 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking colchicine vs chronic_kidney_failure targets. Cross-check colchicine pharmacophore against chronic_kidney_failure pathway. l-cysteine creutzfeldt-jakob_disease GAP_LOW 0.1096 0.046511627906976744 milnacipran Low-priority: Computational docking l-cysteine vs creutzfeldt-jakob_disease targets. Cross-check l-cysteine pharmacophore against creutzfeldt-jakob_disease pathway. l-cysteine duodenum_cancer GAP_LOW 0.1096 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs duodenum_cancer targets. Cross-check l-cysteine pharmacophore against duodenum_cancer pathway. l-cysteine gallbladder_cancer GAP_LOW 0.1096 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs gallbladder_cancer targets. Cross-check l-cysteine pharmacophore against gallbladder_cancer pathway. l-cysteine melanoma GAP_LOW 0.1096 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs melanoma targets. Cross-check l-cysteine pharmacophore against melanoma pathway. etoricoxib chronic_obstructive_pulmonary_disease GAP_HIGH 0.1095 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to ritodrine (Jaccard=0.27) sorafenib hematologic_cancer GAP_HIGH 0.1095 0.23529411764705882 ponatinib High-priority: Binding assay sorafenib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.24) chloroprocaine ovarian_cancer GAP_HIGH 0.1095 0.21052631578947367 warfarin High-priority: Binding assay chloroprocaine→?; validate in ovarian_cancer cell model. Expected: similar to warfarin (Jaccard=0.21) podofilox atopic_dermatitis GAP_HIGH 0.1095 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in atopic_dermatitis cell model. Expected: similar to thioridazine (Jaccard=0.20) bethanidine nephrolithiasis GAP_HIGH 0.1095 0.19230769230769232 polythiazide High-priority: Binding assay bethanidine→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.19) alvimopan pancreatitis GAP_HIGH 0.1095 0.18181818181818182 atomoxetine High-priority: Binding assay alvimopan→?; validate in pancreatitis cell model. Expected: similar to atomoxetine (Jaccard=0.18) pamidronate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1095 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to phenelzine (Jaccard=0.17) olanzapine sclerosing_cholangitis GAP_HIGH 0.1095 0.15384615384615385 temazepam High-priority: Binding assay olanzapine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.15) anisotropine_methylbromide breast_cancer GAP_LOW 0.1095 0.14285714285714285 bromazepam Low-priority: Computational docking anisotropine_methylbromide vs breast_cancer targets. Cross-check anisotropine_methylbromide pharmacophore against breast_cancer pathway. adenine nephrolithiasis GAP_LOW 0.1095 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs nephrolithiasis targets. Cross-check adenine pharmacophore against nephrolithiasis pathway. ethylmorphine idiopathic_pulmonary_fibrosis GAP_LOW 0.1095 0.13333333333333333 metaraminol Low-priority: Computational docking ethylmorphine vs idiopathic_pulmonary_fibrosis targets. Cross-check ethylmorphine pharmacophore against idiopathic_pulmonary_fibrosis pathway. tripelennamine glaucoma GAP_LOW 0.1095 0.13333333333333333 alpha-linolenic_acid Low-priority: Computational docking tripelennamine vs glaucoma targets. Cross-check tripelennamine pharmacophore against glaucoma pathway. norelgestromin epilepsy_syndrome GAP_LOW 0.1095 0.125 bifonazole Low-priority: Computational docking norelgestromin vs epilepsy_syndrome targets. Cross-check norelgestromin pharmacophore against epilepsy_syndrome pathway. telmisartan sclerosing_cholangitis GAP_LOW 0.1095 0.125 cinnarizine Low-priority: Computational docking telmisartan vs sclerosing_cholangitis targets. Cross-check telmisartan pharmacophore against sclerosing_cholangitis pathway. abacavir duodenum_cancer GAP_LOW 0.1095 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs duodenum_cancer targets. Cross-check abacavir pharmacophore against duodenum_cancer pathway. abacavir gallbladder_cancer GAP_LOW 0.1095 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs gallbladder_cancer targets. Cross-check abacavir pharmacophore against gallbladder_cancer pathway. cinchocaine thymus_cancer GAP_LOW 0.1095 0.1111111111111111 warfarin Low-priority: Computational docking cinchocaine vs thymus_cancer targets. Cross-check cinchocaine pharmacophore against thymus_cancer pathway. enalapril larynx_cancer GAP_LOW 0.1095 0.1 doxorubicin Low-priority: Computational docking enalapril vs larynx_cancer targets. Cross-check enalapril pharmacophore against larynx_cancer pathway. sulfanilamide germ_cell_cancer GAP_LOW 0.1095 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs germ_cell_cancer targets. Cross-check sulfanilamide pharmacophore against germ_cell_cancer pathway. tolbutamide vulva_cancer GAP_LOW 0.1095 0.09090909090909091 salicylate-sodium Low-priority: Computational docking tolbutamide vs vulva_cancer targets. Cross-check tolbutamide pharmacophore against vulva_cancer pathway. cinchocaine glaucoma GAP_LOW 0.1095 0.08333333333333333 phenylephrine Low-priority: Computational docking cinchocaine vs glaucoma targets. Cross-check cinchocaine pharmacophore against glaucoma pathway. tolbutamide salivary_gland_cancer GAP_LOW 0.1095 0.08333333333333333 aminosalicylic_acid Low-priority: Computational docking tolbutamide vs salivary_gland_cancer targets. Cross-check tolbutamide pharmacophore against salivary_gland_cancer pathway. agomelatine kidney_cancer GAP_LOW 0.1095 0.07692307692307693 tolbutamide Low-priority: Computational docking agomelatine vs kidney_cancer targets. Cross-check agomelatine pharmacophore against kidney_cancer pathway. dextroamphetamine bone_cancer GAP_LOW 0.1095 0.07692307692307693 alendronate Low-priority: Computational docking dextroamphetamine vs bone_cancer targets. Cross-check dextroamphetamine pharmacophore against bone_cancer pathway. phenylpropanolamine leprosy GAP_LOW 0.1095 0.07692307692307693 lenalidomide Low-priority: Computational docking phenylpropanolamine vs leprosy targets. Cross-check phenylpropanolamine pharmacophore against leprosy pathway. dyphylline ankylosing_spondylitis GAP_LOW 0.1095 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs ankylosing_spondylitis targets. Cross-check dyphylline pharmacophore against ankylosing_spondylitis pathway. felypressin ovarian_cancer GAP_LOW 0.1095 0.06666666666666667 salicylate-sodium Low-priority: Computational docking felypressin vs ovarian_cancer targets. Cross-check felypressin pharmacophore against ovarian_cancer pathway. terlipressin multiple_sclerosis GAP_LOW 0.1095 0.06666666666666667 ketorolac Low-priority: Computational docking terlipressin vs multiple_sclerosis targets. Cross-check terlipressin pharmacophore against multiple_sclerosis pathway. clotiazepam alopecia_areata GAP_LOW 0.1095 0.058823529411764705 levorphanol Low-priority: Computational docking clotiazepam vs alopecia_areata targets. Cross-check clotiazepam pharmacophore against alopecia_areata pathway. desmopressin brain_cancer GAP_LOW 0.1095 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs brain_cancer targets. Cross-check desmopressin pharmacophore against brain_cancer pathway. desmopressin intracranial_aneurysm GAP_LOW 0.1095 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs intracranial_aneurysm targets. Cross-check desmopressin pharmacophore against intracranial_aneurysm pathway. codeine dilated_cardiomyopathy GAP_LOW 0.1095 0.0 hydrocortisone Low-priority: Computational docking codeine vs dilated_cardiomyopathy targets. Cross-check codeine pharmacophore against dilated_cardiomyopathy pathway. cytarabine dilated_cardiomyopathy GAP_LOW 0.1095 0.0 hydrocortisone Low-priority: Computational docking cytarabine vs dilated_cardiomyopathy targets. Cross-check cytarabine pharmacophore against dilated_cardiomyopathy pathway. l-dopa pagets_disease_of_bone GAP_LOW 0.1095 0.0 ibandronate Low-priority: Computational docking l-dopa vs pagets_disease_of_bone targets. Cross-check l-dopa pharmacophore against pagets_disease_of_bone pathway. methdilazine pagets_disease_of_bone GAP_LOW 0.1095 0.0 ibandronate Low-priority: Computational docking methdilazine vs pagets_disease_of_bone targets. Cross-check methdilazine pharmacophore against pagets_disease_of_bone pathway. perphenazine pagets_disease_of_bone GAP_LOW 0.1095 0.0 ibandronate Low-priority: Computational docking perphenazine vs pagets_disease_of_bone targets. Cross-check perphenazine pharmacophore against pagets_disease_of_bone pathway. pipotiazine pagets_disease_of_bone GAP_LOW 0.1095 0.0 ibandronate Low-priority: Computational docking pipotiazine vs pagets_disease_of_bone targets. Cross-check pipotiazine pharmacophore against pagets_disease_of_bone pathway. tamsulosin dilated_cardiomyopathy GAP_LOW 0.1095 0.0 hydrocortisone Low-priority: Computational docking tamsulosin vs dilated_cardiomyopathy targets. Cross-check tamsulosin pharmacophore against dilated_cardiomyopathy pathway. clotrimazole salivary_gland_cancer GAP_HIGH 0.1094 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in salivary_gland_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) nateglinide glaucoma GAP_HIGH 0.1094 0.2631578947368421 polythiazide High-priority: Binding assay nateglinide→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.26) flurbiprofen meningioma GAP_HIGH 0.1094 0.25925925925925924 procarbazine High-priority: Binding assay flurbiprofen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.26) propiomazine thyroid_cancer GAP_HIGH 0.1094 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in thyroid_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) cortisone_acetate amyotrophic_lateral_sclerosis GAP_HIGH 0.1094 0.23809523809523808 fludrocortisone High-priority: Binding assay cortisone_acetate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.24) fosphenytoin uterine_fibroid GAP_HIGH 0.1094 0.23809523809523808 clobazam High-priority: Binding assay fosphenytoin→?; validate in uterine_fibroid cell model. Expected: similar to clobazam (Jaccard=0.24) ketoprofen amyotrophic_lateral_sclerosis GAP_HIGH 0.1094 0.2222222222222222 ketorolac High-priority: Binding assay ketoprofen→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to ketorolac (Jaccard=0.22) orphenadrine pharynx_cancer GAP_HIGH 0.1094 0.17647058823529413 phenylbutazone High-priority: Binding assay orphenadrine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) s-adenosylmethionine malignant_mesothelioma GAP_HIGH 0.1094 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in malignant_mesothelioma cell model. Expected: similar to lamivudine (Jaccard=0.17) cyproterone_acetate conduct_disorder GAP_HIGH 0.1094 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in conduct_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) cyproterone_acetate panic_disorder GAP_HIGH 0.1094 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in panic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) alvimopan chronic_kidney_failure GAP_HIGH 0.1094 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in chronic_kidney_failure cell model. Expected: similar to trimipramine (Jaccard=0.16) pimozide sclerosing_cholangitis GAP_HIGH 0.1094 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in sclerosing_cholangitis cell model. Expected: similar to fentanyl (Jaccard=0.16) liothyronine acquired_immunodeficiency_syndrome GAP_HIGH 0.1094 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.15) oxybuprocaine focal_segmental_glomerulosclerosis GAP_LOW 0.1094 0.14814814814814814 ethopropazine Low-priority: Computational docking oxybuprocaine vs focal_segmental_glomerulosclerosis targets. Cross-check oxybuprocaine pharmacophore against focal_segmental_glomerulosclerosis pathway. cyproterone_acetate membranous_glomerulonephritis GAP_LOW 0.1094 0.14285714285714285 bumetanide Low-priority: Computational docking cyproterone_acetate vs membranous_glomerulonephritis targets. Cross-check cyproterone_acetate pharmacophore against membranous_glomerulonephritis pathway. enalapril gout GAP_LOW 0.1094 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs gout targets. Cross-check enalapril pharmacophore against gout pathway. enalapril primary_biliary_cirrhosis GAP_LOW 0.1094 0.14285714285714285 alvimopan Low-priority: Computational docking enalapril vs primary_biliary_cirrhosis targets. Cross-check enalapril pharmacophore against primary_biliary_cirrhosis pathway. furosemide ocular_cancer GAP_LOW 0.1094 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs ocular_cancer targets. Cross-check furosemide pharmacophore against ocular_cancer pathway. mefenamic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1094 0.14285714285714285 alvimopan Low-priority: Computational docking mefenamic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check mefenamic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. sulfamethizole germ_cell_cancer GAP_LOW 0.1094 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs germ_cell_cancer targets. Cross-check sulfamethizole pharmacophore against germ_cell_cancer pathway. hydromorphone narcolepsy GAP_LOW 0.1094 0.125 nitrazepam Low-priority: Computational docking hydromorphone vs narcolepsy targets. Cross-check hydromorphone pharmacophore against narcolepsy pathway. pralatrexate asthma GAP_LOW 0.1094 0.125 olsalazine Low-priority: Computational docking pralatrexate vs asthma targets. Cross-check pralatrexate pharmacophore against asthma pathway. pralatrexate panic_disorder GAP_LOW 0.1094 0.125 olsalazine Low-priority: Computational docking pralatrexate vs panic_disorder targets. Cross-check pralatrexate pharmacophore against panic_disorder pathway. pralatrexate schizophrenia GAP_LOW 0.1094 0.125 olsalazine Low-priority: Computational docking pralatrexate vs schizophrenia targets. Cross-check pralatrexate pharmacophore against schizophrenia pathway. telmisartan creutzfeldt-jakob_disease GAP_LOW 0.1094 0.125 desipramine Low-priority: Computational docking telmisartan vs creutzfeldt-jakob_disease targets. Cross-check telmisartan pharmacophore against creutzfeldt-jakob_disease pathway. methyltestosterone larynx_cancer GAP_LOW 0.1094 0.1111111111111111 methimazole Low-priority: Computational docking methyltestosterone vs larynx_cancer targets. Cross-check methyltestosterone pharmacophore against larynx_cancer pathway. desmopressin prostate_cancer GAP_LOW 0.1094 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs prostate_cancer targets. Cross-check desmopressin pharmacophore against prostate_cancer pathway. sulfanilamide glaucoma GAP_LOW 0.1094 0.08333333333333333 methacholine Low-priority: Computational docking sulfanilamide vs glaucoma targets. Cross-check sulfanilamide pharmacophore against glaucoma pathway. dienestrol larynx_cancer GAP_LOW 0.1094 0.07692307692307693 tetrahydrofolic_acid Low-priority: Computational docking dienestrol vs larynx_cancer targets. Cross-check dienestrol pharmacophore against larynx_cancer pathway. midodrine vaginal_cancer GAP_LOW 0.1094 0.07692307692307693 nandrolone_phenpropionate Low-priority: Computational docking midodrine vs vaginal_cancer targets. Cross-check midodrine pharmacophore against vaginal_cancer pathway. midodrine vulva_cancer GAP_LOW 0.1094 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs vulva_cancer targets. Cross-check midodrine pharmacophore against vulva_cancer pathway. l-cysteine sclerosing_cholangitis GAP_LOW 0.1094 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs sclerosing_cholangitis targets. Cross-check l-cysteine pharmacophore against sclerosing_cholangitis pathway. vapreotide nephrolithiasis GAP_LOW 0.1094 0.043478260869565216 prednisone Low-priority: Computational docking vapreotide vs nephrolithiasis targets. Cross-check vapreotide pharmacophore against nephrolithiasis pathway. vapreotide refractive_error GAP_LOW 0.1094 0.043478260869565216 droxidopa Low-priority: Computational docking vapreotide vs refractive_error targets. Cross-check vapreotide pharmacophore against refractive_error pathway. l-methionine coronary_artery_disease GAP_LOW 0.1094 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs coronary_artery_disease targets. Cross-check l-methionine pharmacophore against coronary_artery_disease pathway. chlorpropamide lymphatic_system_cancer GAP_LOW 0.1094 0.03278688524590164 s-adenosylmethionine Low-priority: Computational docking chlorpropamide vs lymphatic_system_cancer targets. Cross-check chlorpropamide pharmacophore against lymphatic_system_cancer pathway. chlorcyclizine systemic_lupus_erythematosus GAP_HIGH 0.1093 0.3333333333333333 temazepam High-priority: Binding assay chlorcyclizine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to temazepam (Jaccard=0.33) warfarin vaginal_cancer GAP_HIGH 0.1093 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in vaginal_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) warfarin vulva_cancer GAP_HIGH 0.1093 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.33) spironolactone mediastinal_cancer GAP_HIGH 0.1093 0.2727272727272727 prednicarbate High-priority: Binding assay spironolactone→?; validate in mediastinal_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.27) ketoprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.1093 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to epinephrine (Jaccard=0.22) adenosine_triphosphate pancreatic_cancer GAP_HIGH 0.1093 0.2 cladribine High-priority: Binding assay adenosine_triphosphate→?; validate in pancreatic_cancer cell model. Expected: similar to cladribine (Jaccard=0.20) cinnarizine primary_biliary_cirrhosis GAP_HIGH 0.1093 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to letrozole (Jaccard=0.20) glucosamine restless_legs_syndrome GAP_HIGH 0.1093 0.2 l-arginine High-priority: Binding assay glucosamine→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.20) prednicarbate alzheimers_disease GAP_HIGH 0.1093 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.20) prochlorperazine type_1_diabetes_mellitus GAP_HIGH 0.1093 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to atropine (Jaccard=0.20) nitrazepam chronic_obstructive_pulmonary_disease GAP_HIGH 0.1093 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to practolol (Jaccard=0.18) tolterodine germ_cell_cancer GAP_HIGH 0.1093 0.18181818181818182 tamoxifen High-priority: Binding assay tolterodine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.18) l-glutamine systemic_scleroderma GAP_HIGH 0.1093 0.1728395061728395 penicillamine High-priority: Binding assay l-glutamine→?; validate in systemic_scleroderma cell model. Expected: similar to penicillamine (Jaccard=0.17) oxybuprocaine malignant_mesothelioma GAP_HIGH 0.1093 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in malignant_mesothelioma cell model. Expected: similar to modafinil (Jaccard=0.17) chlorphenesin vitiligo GAP_HIGH 0.1093 0.16666666666666666 pantoprazole High-priority: Binding assay chlorphenesin→?; validate in vitiligo cell model. Expected: similar to pantoprazole (Jaccard=0.17) furosemide vaginal_cancer GAP_LOW 0.1093 0.15 tamsulosin Low-priority: Computational docking furosemide vs vaginal_cancer targets. Cross-check furosemide pharmacophore against vaginal_cancer pathway. hydromorphone uterine_fibroid GAP_LOW 0.1093 0.14285714285714285 levorphanol Low-priority: Computational docking hydromorphone vs uterine_fibroid targets. Cross-check hydromorphone pharmacophore against uterine_fibroid pathway. flunarizine glaucoma GAP_LOW 0.1093 0.13636363636363635 bevantolol Low-priority: Computational docking flunarizine vs glaucoma targets. Cross-check flunarizine pharmacophore against glaucoma pathway. adenine chronic_kidney_failure GAP_LOW 0.1093 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs chronic_kidney_failure targets. Cross-check adenine pharmacophore against chronic_kidney_failure pathway. propiomazine alcohol_dependence GAP_LOW 0.1093 0.13333333333333333 ethylmorphine Low-priority: Computational docking propiomazine vs alcohol_dependence targets. Cross-check propiomazine pharmacophore against alcohol_dependence pathway. entecavir ankylosing_spondylitis GAP_LOW 0.1093 0.125 tetrahydrofolic_acid Low-priority: Computational docking entecavir vs ankylosing_spondylitis targets. Cross-check entecavir pharmacophore against ankylosing_spondylitis pathway. pralatrexate atopic_dermatitis GAP_LOW 0.1093 0.125 sirolimus Low-priority: Computational docking pralatrexate vs atopic_dermatitis targets. Cross-check pralatrexate pharmacophore against atopic_dermatitis pathway. tolmetin brain_cancer GAP_LOW 0.1093 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs brain_cancer targets. Cross-check tolmetin pharmacophore against brain_cancer pathway. tolmetin intracranial_aneurysm GAP_LOW 0.1093 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs intracranial_aneurysm targets. Cross-check tolmetin pharmacophore against intracranial_aneurysm pathway. cladribine brain_cancer GAP_LOW 0.1093 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs brain_cancer targets. Cross-check cladribine pharmacophore against brain_cancer pathway. cladribine intracranial_aneurysm GAP_LOW 0.1093 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs intracranial_aneurysm targets. Cross-check cladribine pharmacophore against intracranial_aneurysm pathway. chlorpropamide vaginal_cancer GAP_LOW 0.1093 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs vaginal_cancer targets. Cross-check chlorpropamide pharmacophore against vaginal_cancer pathway. chlorpropamide vulva_cancer GAP_LOW 0.1093 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs vulva_cancer targets. Cross-check chlorpropamide pharmacophore against vulva_cancer pathway. alitretinoin kidney_cancer GAP_LOW 0.1093 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs kidney_cancer targets. Cross-check alitretinoin pharmacophore against kidney_cancer pathway. bromfenac leprosy GAP_LOW 0.1093 0.09375 sulfapyridine Low-priority: Computational docking bromfenac vs leprosy targets. Cross-check bromfenac pharmacophore against leprosy pathway. zolpidem prostate_cancer GAP_LOW 0.1093 0.08333333333333333 diphemanil_methylsulfate Low-priority: Computational docking zolpidem vs prostate_cancer targets. Cross-check zolpidem pharmacophore against prostate_cancer pathway. calcitriol kidney_cancer GAP_LOW 0.1093 0.07692307692307693 estrone Low-priority: Computational docking calcitriol vs kidney_cancer targets. Cross-check calcitriol pharmacophore against kidney_cancer pathway. midodrine vascular_cancer GAP_LOW 0.1093 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs vascular_cancer targets. Cross-check midodrine pharmacophore against vascular_cancer pathway. desmopressin membranous_glomerulonephritis GAP_LOW 0.1093 0.07142857142857142 ergocalciferol Low-priority: Computational docking desmopressin vs membranous_glomerulonephritis targets. Cross-check desmopressin pharmacophore against membranous_glomerulonephritis pathway. dyphylline epilepsy_syndrome GAP_LOW 0.1093 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs epilepsy_syndrome targets. Cross-check dyphylline pharmacophore against epilepsy_syndrome pathway. lidocaine acquired_immunodeficiency_syndrome GAP_LOW 0.1093 0.07142857142857142 emtricitabine Low-priority: Computational docking lidocaine vs acquired_immunodeficiency_syndrome targets. Cross-check lidocaine pharmacophore against acquired_immunodeficiency_syndrome pathway. midodrine peripheral_nervous_system_neoplasm GAP_LOW 0.1093 0.07142857142857142 prednicarbate Low-priority: Computational docking midodrine vs peripheral_nervous_system_neoplasm targets. Cross-check midodrine pharmacophore against peripheral_nervous_system_neoplasm pathway. codeine head_and_neck_cancer GAP_LOW 0.1093 0.06666666666666667 topotecan Low-priority: Computational docking codeine vs head_and_neck_cancer targets. Cross-check codeine pharmacophore against head_and_neck_cancer pathway. codeine malignant_glioma GAP_LOW 0.1093 0.06666666666666667 topotecan Low-priority: Computational docking codeine vs malignant_glioma targets. Cross-check codeine pharmacophore against malignant_glioma pathway. vapreotide nicotine_dependence GAP_LOW 0.1093 0.06666666666666667 salicylate-sodium Low-priority: Computational docking vapreotide vs nicotine_dependence targets. Cross-check vapreotide pharmacophore against nicotine_dependence pathway. zafirlukast larynx_cancer GAP_LOW 0.1093 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs larynx_cancer targets. Cross-check zafirlukast pharmacophore against larynx_cancer pathway. benzocaine malaria GAP_LOW 0.1093 0.045454545454545456 ethotoin Low-priority: Computational docking benzocaine vs malaria targets. Cross-check benzocaine pharmacophore against malaria pathway. l-citrulline chronic_kidney_failure GAP_LOW 0.1093 0.018867924528301886 thioridazine Low-priority: Computational docking l-citrulline vs chronic_kidney_failure targets. Cross-check l-citrulline pharmacophore against chronic_kidney_failure pathway. acetic_acid hepatitis_b GAP_LOW 0.1093 0.0 mitiglinide Low-priority: Computational docking acetic_acid vs hepatitis_b targets. Cross-check acetic_acid pharmacophore against hepatitis_b pathway. epinephrine malaria GAP_LOW 0.1093 0.0 ethotoin Low-priority: Computational docking epinephrine vs malaria targets. Cross-check epinephrine pharmacophore against malaria pathway. quinestrol hepatitis_b GAP_LOW 0.1093 0.0 mitiglinide Low-priority: Computational docking quinestrol vs hepatitis_b targets. Cross-check quinestrol pharmacophore against hepatitis_b pathway. clotrimazole rectum_cancer GAP_HIGH 0.1092 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) spironolactone thymus_cancer GAP_HIGH 0.1092 0.2727272727272727 prednicarbate High-priority: Binding assay spironolactone→?; validate in thymus_cancer cell model. Expected: similar to prednicarbate (Jaccard=0.27) pazopanib polycystic_ovary_syndrome GAP_HIGH 0.1092 0.23529411764705882 crizotinib High-priority: Binding assay pazopanib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to crizotinib (Jaccard=0.24) acetophenazine glaucoma GAP_HIGH 0.1092 0.2 metaraminol High-priority: Binding assay acetophenazine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) podofilox osteoporosis GAP_HIGH 0.1092 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in osteoporosis cell model. Expected: similar to thioridazine (Jaccard=0.20) podofilox psoriasis GAP_HIGH 0.1092 0.2 thioridazine High-priority: Binding assay podofilox→?; validate in psoriasis cell model. Expected: similar to thioridazine (Jaccard=0.20) prednicarbate nicotine_dependence GAP_HIGH 0.1092 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.20) cyproterone_acetate bipolar_disorder GAP_HIGH 0.1092 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in bipolar_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) pamidronate asthma GAP_HIGH 0.1092 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in asthma cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate conduct_disorder GAP_HIGH 0.1092 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in conduct_disorder cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate panic_disorder GAP_HIGH 0.1092 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in panic_disorder cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate schizophrenia GAP_HIGH 0.1092 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in schizophrenia cell model. Expected: similar to phenelzine (Jaccard=0.17) tolterodine glaucoma GAP_HIGH 0.1092 0.16666666666666666 penbutolol High-priority: Binding assay tolterodine→?; validate in glaucoma cell model. Expected: similar to penbutolol (Jaccard=0.17) sulfapyridine nephrolithiasis GAP_HIGH 0.1092 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in nephrolithiasis cell model. Expected: similar to etoricoxib (Jaccard=0.16) l-glutamine creutzfeldt-jakob_disease GAP_HIGH 0.1092 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-histidine (Jaccard=0.15) furosemide testicular_cancer GAP_LOW 0.1092 0.15 tamsulosin Low-priority: Computational docking furosemide vs testicular_cancer targets. Cross-check furosemide pharmacophore against testicular_cancer pathway. anisotropine_methylbromide multiple_sclerosis GAP_LOW 0.1092 0.14285714285714285 bromazepam Low-priority: Computational docking anisotropine_methylbromide vs multiple_sclerosis targets. Cross-check anisotropine_methylbromide pharmacophore against multiple_sclerosis pathway. flurandrenolide atherosclerosis GAP_LOW 0.1092 0.14285714285714285 floctafenine Low-priority: Computational docking flurandrenolide vs atherosclerosis targets. Cross-check flurandrenolide pharmacophore against atherosclerosis pathway. pralatrexate allergic_rhinitis GAP_LOW 0.1092 0.125 olsalazine Low-priority: Computational docking pralatrexate vs allergic_rhinitis targets. Cross-check pralatrexate pharmacophore against allergic_rhinitis pathway. alitretinoin penile_cancer GAP_LOW 0.1092 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs penile_cancer targets. Cross-check alitretinoin pharmacophore against penile_cancer pathway. chlorpropamide testicular_cancer GAP_LOW 0.1092 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs testicular_cancer targets. Cross-check chlorpropamide pharmacophore against testicular_cancer pathway. regadenoson gout GAP_LOW 0.1092 0.1 methotrexate Low-priority: Computational docking regadenoson vs gout targets. Cross-check regadenoson pharmacophore against gout pathway. proparacaine idiopathic_pulmonary_fibrosis GAP_LOW 0.1092 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs idiopathic_pulmonary_fibrosis targets. Cross-check proparacaine pharmacophore against idiopathic_pulmonary_fibrosis pathway. atenolol gilles_de_la_tourette_syndrome GAP_LOW 0.1092 0.08333333333333333 alvimopan Low-priority: Computational docking atenolol vs gilles_de_la_tourette_syndrome targets. Cross-check atenolol pharmacophore against gilles_de_la_tourette_syndrome pathway. tolbutamide ocular_cancer GAP_LOW 0.1092 0.08333333333333333 aminosalicylic_acid Low-priority: Computational docking tolbutamide vs ocular_cancer targets. Cross-check tolbutamide pharmacophore against ocular_cancer pathway. calcitriol nephrolithiasis GAP_LOW 0.1092 0.07692307692307693 estrone Low-priority: Computational docking calcitriol vs nephrolithiasis targets. Cross-check calcitriol pharmacophore against nephrolithiasis pathway. nabumetone peripheral_nervous_system_neoplasm GAP_LOW 0.1092 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs peripheral_nervous_system_neoplasm targets. Cross-check nabumetone pharmacophore against peripheral_nervous_system_neoplasm pathway. proparacaine head_and_neck_cancer GAP_LOW 0.1092 0.07692307692307693 topotecan Low-priority: Computational docking proparacaine vs head_and_neck_cancer targets. Cross-check proparacaine pharmacophore against head_and_neck_cancer pathway. proparacaine malignant_glioma GAP_LOW 0.1092 0.07692307692307693 topotecan Low-priority: Computational docking proparacaine vs malignant_glioma targets. Cross-check proparacaine pharmacophore against malignant_glioma pathway. dyphylline melanoma GAP_LOW 0.1092 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs melanoma targets. Cross-check dyphylline pharmacophore against melanoma pathway. flunarizine dilated_cardiomyopathy GAP_LOW 0.1092 0.06666666666666667 medrysone Low-priority: Computational docking flunarizine vs dilated_cardiomyopathy targets. Cross-check flunarizine pharmacophore against dilated_cardiomyopathy pathway. zafirlukast focal_segmental_glomerulosclerosis GAP_LOW 0.1092 0.06666666666666667 indapamide Low-priority: Computational docking zafirlukast vs focal_segmental_glomerulosclerosis targets. Cross-check zafirlukast pharmacophore against focal_segmental_glomerulosclerosis pathway. anisindione atherosclerosis GAP_LOW 0.1092 0.058823529411764705 salsalate Low-priority: Computational docking anisindione vs atherosclerosis targets. Cross-check anisindione pharmacophore against atherosclerosis pathway. tripelennamine alcohol_dependence GAP_LOW 0.1092 0.05 ethylmorphine Low-priority: Computational docking tripelennamine vs alcohol_dependence targets. Cross-check tripelennamine pharmacophore against alcohol_dependence pathway. adenosine_monophosphate gestational_diabetes GAP_LOW 0.1092 0.046875 sulpiride Low-priority: Computational docking adenosine_monophosphate vs gestational_diabetes targets. Cross-check adenosine_monophosphate pharmacophore against gestational_diabetes pathway. calcium_acetate head_and_neck_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs head_and_neck_cancer targets. Cross-check calcium_acetate pharmacophore against head_and_neck_cancer pathway. calcium_acetate malignant_glioma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs malignant_glioma targets. Cross-check calcium_acetate pharmacophore against malignant_glioma pathway. conivaptan penile_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs penile_cancer targets. Cross-check conivaptan pharmacophore against penile_cancer pathway. lercanidipine head_and_neck_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs head_and_neck_cancer targets. Cross-check lercanidipine pharmacophore against head_and_neck_cancer pathway. lercanidipine malignant_glioma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs malignant_glioma targets. Cross-check lercanidipine pharmacophore against malignant_glioma pathway. mannitol duodenum_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking mannitol vs duodenum_cancer targets. Cross-check mannitol pharmacophore against duodenum_cancer pathway. mannitol gallbladder_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking mannitol vs gallbladder_cancer targets. Cross-check mannitol pharmacophore against gallbladder_cancer pathway. mannitol melanoma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking mannitol vs melanoma targets. Cross-check mannitol pharmacophore against melanoma pathway. nimodipine head_and_neck_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs head_and_neck_cancer targets. Cross-check nimodipine pharmacophore against head_and_neck_cancer pathway. nimodipine malignant_glioma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs malignant_glioma targets. Cross-check nimodipine pharmacophore against malignant_glioma pathway. papaverine head_and_neck_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking papaverine vs head_and_neck_cancer targets. Cross-check papaverine pharmacophore against head_and_neck_cancer pathway. papaverine malignant_glioma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking papaverine vs malignant_glioma targets. Cross-check papaverine pharmacophore against malignant_glioma pathway. pravastatin duodenum_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs duodenum_cancer targets. Cross-check pravastatin pharmacophore against duodenum_cancer pathway. pravastatin gallbladder_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs gallbladder_cancer targets. Cross-check pravastatin pharmacophore against gallbladder_cancer pathway. pravastatin melanoma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs melanoma targets. Cross-check pravastatin pharmacophore against melanoma pathway. tofisopam head_and_neck_cancer GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking tofisopam vs head_and_neck_cancer targets. Cross-check tofisopam pharmacophore against head_and_neck_cancer pathway. tofisopam malignant_glioma GAP_LOW 0.1092 0.0 hydrocortisone Low-priority: Computational docking tofisopam vs malignant_glioma targets. Cross-check tofisopam pharmacophore against malignant_glioma pathway. dexamethasone colon_cancer GAP_HIGH 0.1091 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in colon_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.29) clotrimazole ocular_cancer GAP_HIGH 0.1091 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in ocular_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) brompheniramine vaginal_cancer GAP_HIGH 0.1091 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in vaginal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) brompheniramine vulva_cancer GAP_HIGH 0.1091 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in vulva_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) alimemazine malaria GAP_HIGH 0.1091 0.21428571428571427 modafinil High-priority: Binding assay alimemazine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) chloroprocaine skin_cancer GAP_HIGH 0.1091 0.21052631578947367 warfarin High-priority: Binding assay chloroprocaine→?; validate in skin_cancer cell model. Expected: similar to warfarin (Jaccard=0.21) crizotinib colon_cancer GAP_HIGH 0.1091 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in colon_cancer cell model. Expected: similar to sorafenib (Jaccard=0.20) naproxen membranous_glomerulonephritis GAP_HIGH 0.1091 0.1951219512195122 fenoprofen High-priority: Binding assay naproxen→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.20) sulfadiazine uterine_cancer GAP_HIGH 0.1091 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in uterine_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) cyproterone_acetate endogenous_depression GAP_HIGH 0.1091 0.16666666666666666 dextromethorphan High-priority: Binding assay cyproterone_acetate→?; validate in endogenous_depression cell model. Expected: similar to dextromethorphan (Jaccard=0.17) pamidronate allergic_rhinitis GAP_HIGH 0.1091 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in allergic_rhinitis cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate atopic_dermatitis GAP_HIGH 0.1091 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in atopic_dermatitis cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate hypertension GAP_HIGH 0.1091 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in hypertension cell model. Expected: similar to phenelzine (Jaccard=0.17) testolactone alcohol_dependence GAP_HIGH 0.1091 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.16) ketorolac refractive_error GAP_HIGH 0.1091 0.15384615384615385 clonidine High-priority: Binding assay ketorolac→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.15) phenformin melanoma GAP_HIGH 0.1091 0.15384615384615385 melphalan High-priority: Binding assay phenformin→?; validate in melanoma cell model. Expected: similar to melphalan (Jaccard=0.15) furosemide vascular_cancer GAP_LOW 0.1091 0.15 tamsulosin Low-priority: Computational docking furosemide vs vascular_cancer targets. Cross-check furosemide pharmacophore against vascular_cancer pathway. furosemide peripheral_nervous_system_neoplasm GAP_LOW 0.1091 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs peripheral_nervous_system_neoplasm targets. Cross-check furosemide pharmacophore against peripheral_nervous_system_neoplasm pathway. ketoprofen atherosclerosis GAP_LOW 0.1091 0.13333333333333333 tiaprofenic_acid Low-priority: Computational docking ketoprofen vs atherosclerosis targets. Cross-check ketoprofen pharmacophore against atherosclerosis pathway. diethylpropion gilles_de_la_tourette_syndrome GAP_LOW 0.1091 0.13043478260869565 phenylbutazone Low-priority: Computational docking diethylpropion vs gilles_de_la_tourette_syndrome targets. Cross-check diethylpropion pharmacophore against gilles_de_la_tourette_syndrome pathway. levonorgestrel membranous_glomerulonephritis GAP_LOW 0.1091 0.125 bumetanide Low-priority: Computational docking levonorgestrel vs membranous_glomerulonephritis targets. Cross-check levonorgestrel pharmacophore against membranous_glomerulonephritis pathway. chlorpropamide vascular_cancer GAP_LOW 0.1091 0.1111111111111111 procarbazine Low-priority: Computational docking chlorpropamide vs vascular_cancer targets. Cross-check chlorpropamide pharmacophore against vascular_cancer pathway. dihydrotachysterol alzheimers_disease GAP_LOW 0.1091 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs alzheimers_disease targets. Cross-check dihydrotachysterol pharmacophore against alzheimers_disease pathway. dihydrotachysterol parkinsons_disease GAP_LOW 0.1091 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs parkinsons_disease targets. Cross-check dihydrotachysterol pharmacophore against parkinsons_disease pathway. calcitriol crohns_disease GAP_LOW 0.1091 0.09090909090909091 salicylate-sodium Low-priority: Computational docking calcitriol vs crohns_disease targets. Cross-check calcitriol pharmacophore against crohns_disease pathway. chlorpropamide narcolepsy GAP_LOW 0.1091 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs narcolepsy targets. Cross-check chlorpropamide pharmacophore against narcolepsy pathway. desmopressin gout GAP_LOW 0.1091 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs gout targets. Cross-check desmopressin pharmacophore against gout pathway. nabumetone vaginal_cancer GAP_LOW 0.1091 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs vaginal_cancer targets. Cross-check nabumetone pharmacophore against vaginal_cancer pathway. nabumetone vulva_cancer GAP_LOW 0.1091 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs vulva_cancer targets. Cross-check nabumetone pharmacophore against vulva_cancer pathway. hydrochlorothiazide meningioma GAP_LOW 0.1091 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs meningioma targets. Cross-check hydrochlorothiazide pharmacophore against meningioma pathway. diethylstilbestrol leprosy GAP_LOW 0.1091 0.07142857142857142 sulfamethizole Low-priority: Computational docking diethylstilbestrol vs leprosy targets. Cross-check diethylstilbestrol pharmacophore against leprosy pathway. droperidol malaria GAP_LOW 0.1091 0.07142857142857142 methylphenobarbital Low-priority: Computational docking droperidol vs malaria targets. Cross-check droperidol pharmacophore against malaria pathway. dyphylline duodenum_cancer GAP_LOW 0.1091 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs duodenum_cancer targets. Cross-check dyphylline pharmacophore against duodenum_cancer pathway. dyphylline gallbladder_cancer GAP_LOW 0.1091 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs gallbladder_cancer targets. Cross-check dyphylline pharmacophore against gallbladder_cancer pathway. vitamin_a glaucoma GAP_LOW 0.1091 0.06666666666666667 alpha-linolenic_acid Low-priority: Computational docking vitamin_a vs glaucoma targets. Cross-check vitamin_a pharmacophore against glaucoma pathway. tolmetin acquired_immunodeficiency_syndrome GAP_LOW 0.1091 0.058823529411764705 lisinopril Low-priority: Computational docking tolmetin vs acquired_immunodeficiency_syndrome targets. Cross-check tolmetin pharmacophore against acquired_immunodeficiency_syndrome pathway. trifluridine crohns_disease GAP_LOW 0.1091 0.05263157894736842 sorafenib Low-priority: Computational docking trifluridine vs crohns_disease targets. Cross-check trifluridine pharmacophore against crohns_disease pathway. latanoprost azoospermia GAP_LOW 0.1091 0.05 fenoprofen Low-priority: Computational docking latanoprost vs azoospermia targets. Cross-check latanoprost pharmacophore against azoospermia pathway. l-citrulline coronary_artery_disease GAP_LOW 0.1091 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs coronary_artery_disease targets. Cross-check l-citrulline pharmacophore against coronary_artery_disease pathway. diphenhydramine pagets_disease_of_bone GAP_LOW 0.1091 0.0 ibandronate Low-priority: Computational docking diphenhydramine vs pagets_disease_of_bone targets. Cross-check diphenhydramine pharmacophore against pagets_disease_of_bone pathway. estrone pagets_disease_of_bone GAP_LOW 0.1091 0.0 ibandronate Low-priority: Computational docking estrone vs pagets_disease_of_bone targets. Cross-check estrone pharmacophore against pagets_disease_of_bone pathway. pheniramine pagets_disease_of_bone GAP_LOW 0.1091 0.0 ibandronate Low-priority: Computational docking pheniramine vs pagets_disease_of_bone targets. Cross-check pheniramine pharmacophore against pagets_disease_of_bone pathway. propericiazine pagets_disease_of_bone GAP_LOW 0.1091 0.0 ibandronate Low-priority: Computational docking propericiazine vs pagets_disease_of_bone targets. Cross-check propericiazine pharmacophore against pagets_disease_of_bone pathway. l-tyrosine coronary_artery_disease GAP_HIGH 0.109 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in coronary_artery_disease cell model. Expected: similar to suprofen (Jaccard=0.28) chlordiazepoxide thyroid_cancer GAP_HIGH 0.109 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) spironolactone malignant_mesothelioma GAP_HIGH 0.109 0.2631578947368421 fluoxymesterone High-priority: Binding assay spironolactone→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.26) levorphanol creutzfeldt-jakob_disease GAP_HIGH 0.109 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) clodronate attention_deficit_hyperactivity_disorder GAP_HIGH 0.109 0.2 metolazone High-priority: Binding assay clodronate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to metolazone (Jaccard=0.20) phenelzine esophageal_cancer GAP_HIGH 0.109 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) nitrazepam salivary_gland_cancer GAP_HIGH 0.109 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in salivary_gland_cancer cell model. Expected: similar to practolol (Jaccard=0.18) docetaxel focal_segmental_glomerulosclerosis GAP_HIGH 0.109 0.16666666666666666 bumetanide High-priority: Binding assay docetaxel→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bumetanide (Jaccard=0.17) pamidronate bipolar_disorder GAP_HIGH 0.109 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in bipolar_disorder cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate idiopathic_pulmonary_fibrosis GAP_HIGH 0.109 0.15384615384615385 azatadine High-priority: Binding assay pamidronate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.15) phenformin duodenum_cancer GAP_HIGH 0.109 0.15384615384615385 l-dopa High-priority: Binding assay phenformin→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.15) phenformin gallbladder_cancer GAP_HIGH 0.109 0.15384615384615385 l-dopa High-priority: Binding assay phenformin→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.15) alendronate refractive_error GAP_LOW 0.109 0.14285714285714285 polythiazide Low-priority: Computational docking alendronate vs refractive_error targets. Cross-check alendronate pharmacophore against refractive_error pathway. orphenadrine kidney_cancer GAP_LOW 0.109 0.14285714285714285 benzocaine Low-priority: Computational docking orphenadrine vs kidney_cancer targets. Cross-check orphenadrine pharmacophore against kidney_cancer pathway. trilostane alzheimers_disease GAP_LOW 0.109 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs alzheimers_disease targets. Cross-check trilostane pharmacophore against alzheimers_disease pathway. telmisartan ankylosing_spondylitis GAP_LOW 0.109 0.125 desipramine Low-priority: Computational docking telmisartan vs ankylosing_spondylitis targets. Cross-check telmisartan pharmacophore against ankylosing_spondylitis pathway. tretinoin peripheral_nervous_system_neoplasm GAP_LOW 0.109 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs peripheral_nervous_system_neoplasm targets. Cross-check tretinoin pharmacophore against peripheral_nervous_system_neoplasm pathway. nilotinib atopic_dermatitis GAP_LOW 0.109 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs atopic_dermatitis targets. Cross-check nilotinib pharmacophore against atopic_dermatitis pathway. alitretinoin malignant_mesothelioma GAP_LOW 0.109 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs malignant_mesothelioma targets. Cross-check alitretinoin pharmacophore against malignant_mesothelioma pathway. dasatinib chronic_obstructive_pulmonary_disease GAP_LOW 0.109 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs chronic_obstructive_pulmonary_disease targets. Cross-check dasatinib pharmacophore against chronic_obstructive_pulmonary_disease pathway. dihydrotachysterol amyotrophic_lateral_sclerosis GAP_LOW 0.109 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs amyotrophic_lateral_sclerosis targets. Cross-check dihydrotachysterol pharmacophore against amyotrophic_lateral_sclerosis pathway. dihydrotachysterol autistic_disorder GAP_LOW 0.109 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs autistic_disorder targets. Cross-check dihydrotachysterol pharmacophore against autistic_disorder pathway. dihydrotachysterol nicotine_dependence GAP_LOW 0.109 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs nicotine_dependence targets. Cross-check dihydrotachysterol pharmacophore against nicotine_dependence pathway. dihydrotachysterol primary_biliary_cirrhosis GAP_LOW 0.109 0.1 tauroursodeoxycholic_acid Low-priority: Computational docking dihydrotachysterol vs primary_biliary_cirrhosis targets. Cross-check dihydrotachysterol pharmacophore against primary_biliary_cirrhosis pathway. fluspirilene type_1_diabetes_mellitus GAP_LOW 0.109 0.1 cyclopentolate Low-priority: Computational docking fluspirilene vs type_1_diabetes_mellitus targets. Cross-check fluspirilene pharmacophore against type_1_diabetes_mellitus pathway. proparacaine mediastinal_cancer GAP_LOW 0.109 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs mediastinal_cancer targets. Cross-check proparacaine pharmacophore against mediastinal_cancer pathway. gliclazide breast_cancer GAP_LOW 0.109 0.09090909090909091 pargyline Low-priority: Computational docking gliclazide vs breast_cancer targets. Cross-check gliclazide pharmacophore against breast_cancer pathway. azacitidine glaucoma GAP_LOW 0.109 0.08333333333333333 l-carnitine Low-priority: Computational docking azacitidine vs glaucoma targets. Cross-check azacitidine pharmacophore against glaucoma pathway. desmopressin coronary_artery_disease GAP_LOW 0.109 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs coronary_artery_disease targets. Cross-check desmopressin pharmacophore against coronary_artery_disease pathway. midodrine uterine_fibroid GAP_LOW 0.109 0.07692307692307693 ergocalciferol Low-priority: Computational docking midodrine vs uterine_fibroid targets. Cross-check midodrine pharmacophore against uterine_fibroid pathway. pemetrexed atherosclerosis GAP_LOW 0.109 0.07692307692307693 olsalazine Low-priority: Computational docking pemetrexed vs atherosclerosis targets. Cross-check pemetrexed pharmacophore against atherosclerosis pathway. proparacaine refractive_error GAP_LOW 0.109 0.07692307692307693 metaraminol Low-priority: Computational docking proparacaine vs refractive_error targets. Cross-check proparacaine pharmacophore against refractive_error pathway. felypressin vaginal_cancer GAP_LOW 0.109 0.06666666666666667 calcitriol Low-priority: Computational docking felypressin vs vaginal_cancer targets. Cross-check felypressin pharmacophore against vaginal_cancer pathway. terlipressin pharynx_cancer GAP_LOW 0.109 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs pharynx_cancer targets. Cross-check terlipressin pharmacophore against pharynx_cancer pathway. l-citrulline chronic_obstructive_pulmonary_disease GAP_LOW 0.109 0.05454545454545454 epinephrine Low-priority: Computational docking l-citrulline vs chronic_obstructive_pulmonary_disease targets. Cross-check l-citrulline pharmacophore against chronic_obstructive_pulmonary_disease pathway. difenoxin alcohol_dependence GAP_LOW 0.109 0.047619047619047616 levorphanol Low-priority: Computational docking difenoxin vs alcohol_dependence targets. Cross-check difenoxin pharmacophore against alcohol_dependence pathway. emtricitabine azoospermia GAP_LOW 0.109 0.045454545454545456 procaine Low-priority: Computational docking emtricitabine vs azoospermia targets. Cross-check emtricitabine pharmacophore against azoospermia pathway. l-cysteine ankylosing_spondylitis GAP_LOW 0.109 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs ankylosing_spondylitis targets. Cross-check l-cysteine pharmacophore against ankylosing_spondylitis pathway. acenocoumarol gestational_diabetes GAP_LOW 0.109 0.034482758620689655 bezafibrate Low-priority: Computational docking acenocoumarol vs gestational_diabetes targets. Cross-check acenocoumarol pharmacophore against gestational_diabetes pathway. l-methionine germ_cell_cancer GAP_LOW 0.109 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs germ_cell_cancer targets. Cross-check l-methionine pharmacophore against germ_cell_cancer pathway. agomelatine alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking agomelatine vs alcohol_dependence targets. Cross-check agomelatine pharmacophore against alcohol_dependence pathway. dobutamine alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking dobutamine vs alcohol_dependence targets. Cross-check dobutamine pharmacophore against alcohol_dependence pathway. isoetarine alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking isoetarine vs alcohol_dependence targets. Cross-check isoetarine pharmacophore against alcohol_dependence pathway. l-glutamine alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking l-glutamine vs alcohol_dependence targets. Cross-check l-glutamine pharmacophore against alcohol_dependence pathway. lenalidomide alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking lenalidomide vs alcohol_dependence targets. Cross-check lenalidomide pharmacophore against alcohol_dependence pathway. lercanidipine refractive_error GAP_LOW 0.109 0.0 pirbuterol Low-priority: Computational docking lercanidipine vs refractive_error targets. Cross-check lercanidipine pharmacophore against refractive_error pathway. nelarabine alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking nelarabine vs alcohol_dependence targets. Cross-check nelarabine pharmacophore against alcohol_dependence pathway. tenofovir alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking tenofovir vs alcohol_dependence targets. Cross-check tenofovir pharmacophore against alcohol_dependence pathway. zolpidem alcohol_dependence GAP_LOW 0.109 0.0 midazolam Low-priority: Computational docking zolpidem vs alcohol_dependence targets. Cross-check zolpidem pharmacophore against alcohol_dependence pathway. warfarin uterine_fibroid GAP_HIGH 0.1089 0.3333333333333333 modafinil High-priority: Binding assay warfarin→?; validate in uterine_fibroid cell model. Expected: similar to modafinil (Jaccard=0.33) dexamethasone ulcerative_colitis GAP_HIGH 0.1089 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in ulcerative_colitis cell model. Expected: similar to doxorubicin (Jaccard=0.29) l-tyrosine meningioma GAP_HIGH 0.1089 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.27) propiomazine muscle_cancer GAP_HIGH 0.1089 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in muscle_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) ketoprofen atopic_dermatitis GAP_HIGH 0.1089 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.22) crizotinib psoriasis GAP_HIGH 0.1089 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in psoriasis cell model. Expected: similar to sorafenib (Jaccard=0.20) prochlorperazine glaucoma GAP_HIGH 0.1089 0.2 metaraminol High-priority: Binding assay prochlorperazine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) salicylic_acid glaucoma GAP_HIGH 0.1089 0.2 l-tryptophan High-priority: Binding assay salicylic_acid→?; validate in glaucoma cell model. Expected: similar to l-tryptophan (Jaccard=0.20) pamidronate endogenous_depression GAP_HIGH 0.1089 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in endogenous_depression cell model. Expected: similar to phenelzine (Jaccard=0.17) pimozide ankylosing_spondylitis GAP_HIGH 0.1089 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in ankylosing_spondylitis cell model. Expected: similar to fentanyl (Jaccard=0.16) lapatinib malignant_glioma GAP_LOW 0.1089 0.14285714285714285 vinblastine Low-priority: Computational docking lapatinib vs malignant_glioma targets. Cross-check lapatinib pharmacophore against malignant_glioma pathway. orphenadrine nephrolithiasis GAP_LOW 0.1089 0.14285714285714285 benzocaine Low-priority: Computational docking orphenadrine vs nephrolithiasis targets. Cross-check orphenadrine pharmacophore against nephrolithiasis pathway. orphenadrine refractive_error GAP_LOW 0.1089 0.14285714285714285 metaraminol Low-priority: Computational docking orphenadrine vs refractive_error targets. Cross-check orphenadrine pharmacophore against refractive_error pathway. trilostane autistic_disorder GAP_LOW 0.1089 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs autistic_disorder targets. Cross-check trilostane pharmacophore against autistic_disorder pathway. pargyline acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.13636363636363635 nateglinide Low-priority: Computational docking pargyline vs acquired_immunodeficiency_syndrome targets. Cross-check pargyline pharmacophore against acquired_immunodeficiency_syndrome pathway. danazol membranous_glomerulonephritis GAP_LOW 0.1089 0.125 bumetanide Low-priority: Computational docking danazol vs membranous_glomerulonephritis targets. Cross-check danazol pharmacophore against membranous_glomerulonephritis pathway. tolmetin esophageal_cancer GAP_LOW 0.1089 0.11538461538461539 hydrocortisone Low-priority: Computational docking tolmetin vs esophageal_cancer targets. Cross-check tolmetin pharmacophore against esophageal_cancer pathway. indomethacin pancreatic_cancer GAP_LOW 0.1089 0.1111111111111111 clofibrate Low-priority: Computational docking indomethacin vs pancreatic_cancer targets. Cross-check indomethacin pharmacophore against pancreatic_cancer pathway. salbutamol gilles_de_la_tourette_syndrome GAP_LOW 0.1089 0.1 tolterodine Low-priority: Computational docking salbutamol vs gilles_de_la_tourette_syndrome targets. Cross-check salbutamol pharmacophore against gilles_de_la_tourette_syndrome pathway. sulfamethizole larynx_cancer GAP_LOW 0.1089 0.1 clodronate Low-priority: Computational docking sulfamethizole vs larynx_cancer targets. Cross-check sulfamethizole pharmacophore against larynx_cancer pathway. metolazone rectum_cancer GAP_LOW 0.1089 0.09090909090909091 etoricoxib Low-priority: Computational docking metolazone vs rectum_cancer targets. Cross-check metolazone pharmacophore against rectum_cancer pathway. ospemifene glaucoma GAP_LOW 0.1089 0.09090909090909091 l-dopa Low-priority: Computational docking ospemifene vs glaucoma targets. Cross-check ospemifene pharmacophore against glaucoma pathway. anisindione glaucoma GAP_LOW 0.1089 0.07692307692307693 alpha-linolenic_acid Low-priority: Computational docking anisindione vs glaucoma targets. Cross-check anisindione pharmacophore against glaucoma pathway. cinchocaine focal_segmental_glomerulosclerosis GAP_LOW 0.1089 0.07692307692307693 moricizine Low-priority: Computational docking cinchocaine vs focal_segmental_glomerulosclerosis targets. Cross-check cinchocaine pharmacophore against focal_segmental_glomerulosclerosis pathway. diazepam bone_cancer GAP_LOW 0.1089 0.07142857142857142 alendronate Low-priority: Computational docking diazepam vs bone_cancer targets. Cross-check diazepam pharmacophore against bone_cancer pathway. midodrine atopic_dermatitis GAP_LOW 0.1089 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking midodrine vs atopic_dermatitis targets. Cross-check midodrine pharmacophore against atopic_dermatitis pathway. dasatinib alopecia_areata GAP_LOW 0.1089 0.0625 dexamethasone Low-priority: Computational docking dasatinib vs alopecia_areata targets. Cross-check dasatinib pharmacophore against alopecia_areata pathway. atenolol malaria GAP_LOW 0.1089 0.05555555555555555 warfarin Low-priority: Computational docking atenolol vs malaria targets. Cross-check atenolol pharmacophore against malaria pathway. l-citrulline ankylosing_spondylitis GAP_LOW 0.1089 0.05263157894736842 adenine Low-priority: Computational docking l-citrulline vs ankylosing_spondylitis targets. Cross-check l-citrulline pharmacophore against ankylosing_spondylitis pathway. pirbuterol acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.045454545454545456 vidarabine Low-priority: Computational docking pirbuterol vs acquired_immunodeficiency_syndrome targets. Cross-check pirbuterol pharmacophore against acquired_immunodeficiency_syndrome pathway. s-adenosylmethionine bone_cancer GAP_LOW 0.1089 0.03508771929824561 tetrahydrofolic_acid Low-priority: Computational docking s-adenosylmethionine vs bone_cancer targets. Cross-check s-adenosylmethionine pharmacophore against bone_cancer pathway. ospemifene acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.03225806451612903 vidarabine Low-priority: Computational docking ospemifene vs acquired_immunodeficiency_syndrome targets. Cross-check ospemifene pharmacophore against acquired_immunodeficiency_syndrome pathway. milnacipran alcohol_dependence GAP_LOW 0.1089 0.024390243902439025 mazindol Low-priority: Computational docking milnacipran vs alcohol_dependence targets. Cross-check milnacipran pharmacophore against alcohol_dependence pathway. conivaptan malignant_mesothelioma GAP_LOW 0.1089 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs malignant_mesothelioma targets. Cross-check conivaptan pharmacophore against malignant_mesothelioma pathway. desmopressin acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking desmopressin vs acquired_immunodeficiency_syndrome targets. Cross-check desmopressin pharmacophore against acquired_immunodeficiency_syndrome pathway. felypressin acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking felypressin vs acquired_immunodeficiency_syndrome targets. Cross-check felypressin pharmacophore against acquired_immunodeficiency_syndrome pathway. halazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking halazepam vs acquired_immunodeficiency_syndrome targets. Cross-check halazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. indomethacin acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking indomethacin vs acquired_immunodeficiency_syndrome targets. Cross-check indomethacin pharmacophore against acquired_immunodeficiency_syndrome pathway. linaclotide esophageal_cancer GAP_LOW 0.1089 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs esophageal_cancer targets. Cross-check linaclotide pharmacophore against esophageal_cancer pathway. mannitol sclerosing_cholangitis GAP_LOW 0.1089 0.0 hydrocortisone Low-priority: Computational docking mannitol vs sclerosing_cholangitis targets. Cross-check mannitol pharmacophore against sclerosing_cholangitis pathway. pasireotide acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking pasireotide vs acquired_immunodeficiency_syndrome targets. Cross-check pasireotide pharmacophore against acquired_immunodeficiency_syndrome pathway. quinacrine esophageal_cancer GAP_LOW 0.1089 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs esophageal_cancer targets. Cross-check quinacrine pharmacophore against esophageal_cancer pathway. terlipressin acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking terlipressin vs acquired_immunodeficiency_syndrome targets. Cross-check terlipressin pharmacophore against acquired_immunodeficiency_syndrome pathway. treprostinil acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking treprostinil vs acquired_immunodeficiency_syndrome targets. Cross-check treprostinil pharmacophore against acquired_immunodeficiency_syndrome pathway. vapreotide acquired_immunodeficiency_syndrome GAP_LOW 0.1089 0.0 mitiglinide Low-priority: Computational docking vapreotide vs acquired_immunodeficiency_syndrome targets. Cross-check vapreotide pharmacophore against acquired_immunodeficiency_syndrome pathway. clotrimazole peripheral_nervous_system_neoplasm GAP_HIGH 0.1088 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to ifenprodil (Jaccard=0.28) mazindol malignant_mesothelioma GAP_HIGH 0.1088 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) crizotinib osteoporosis GAP_HIGH 0.1088 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in osteoporosis cell model. Expected: similar to sorafenib (Jaccard=0.20) lisinopril primary_biliary_cirrhosis GAP_HIGH 0.1088 0.18181818181818182 alvimopan High-priority: Binding assay lisinopril→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.18) orphenadrine salivary_gland_cancer GAP_HIGH 0.1088 0.17647058823529413 phenylbutazone High-priority: Binding assay orphenadrine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) s-adenosylmethionine meningioma GAP_HIGH 0.1088 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in meningioma cell model. Expected: similar to lamivudine (Jaccard=0.17) pamidronate migraine GAP_HIGH 0.1088 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in migraine cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate multiple_sclerosis GAP_HIGH 0.1088 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in multiple_sclerosis cell model. Expected: similar to phenelzine (Jaccard=0.17) pimozide osteoporosis GAP_HIGH 0.1088 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in osteoporosis cell model. Expected: similar to calcidiol (Jaccard=0.17) pimozide psoriasis GAP_HIGH 0.1088 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in psoriasis cell model. Expected: similar to calcidiol (Jaccard=0.17) pimozide ulcerative_colitis GAP_HIGH 0.1088 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in ulcerative_colitis cell model. Expected: similar to calcidiol (Jaccard=0.17) chloroprocaine gilles_de_la_tourette_syndrome GAP_HIGH 0.1088 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to modafinil (Jaccard=0.16) diphemanil_methylsulfate acquired_immunodeficiency_syndrome GAP_HIGH 0.1088 0.15384615384615385 alvimopan High-priority: Binding assay diphemanil_methylsulfate→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.15) floctafenine brain_cancer GAP_HIGH 0.1088 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in brain_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine intracranial_aneurysm GAP_HIGH 0.1088 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in intracranial_aneurysm cell model. Expected: similar to fluorometholone (Jaccard=0.15) furosemide uterine_fibroid GAP_LOW 0.1088 0.15 tamsulosin Low-priority: Computational docking furosemide vs uterine_fibroid targets. Cross-check furosemide pharmacophore against uterine_fibroid pathway. sulfamethizole penile_cancer GAP_LOW 0.1088 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs penile_cancer targets. Cross-check sulfamethizole pharmacophore against penile_cancer pathway. alendronate hepatitis_b GAP_LOW 0.1088 0.125 nateglinide Low-priority: Computational docking alendronate vs hepatitis_b targets. Cross-check alendronate pharmacophore against hepatitis_b pathway. dexamethasone bone_cancer GAP_LOW 0.1088 0.125 histamine_phosphate Low-priority: Computational docking dexamethasone vs bone_cancer targets. Cross-check dexamethasone pharmacophore against bone_cancer pathway. telmisartan chronic_obstructive_pulmonary_disease GAP_LOW 0.1088 0.125 cinnarizine Low-priority: Computational docking telmisartan vs chronic_obstructive_pulmonary_disease targets. Cross-check telmisartan pharmacophore against chronic_obstructive_pulmonary_disease pathway. ethotoin idiopathic_pulmonary_fibrosis GAP_LOW 0.1088 0.12 ephedrine Low-priority: Computational docking ethotoin vs idiopathic_pulmonary_fibrosis targets. Cross-check ethotoin pharmacophore against idiopathic_pulmonary_fibrosis pathway. dihydrotachysterol attention_deficit_hyperactivity_disorder GAP_LOW 0.1088 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs attention_deficit_hyperactivity_disorder targets. Cross-check dihydrotachysterol pharmacophore against attention_deficit_hyperactivity_disorder pathway. olanzapine glaucoma GAP_LOW 0.1088 0.1111111111111111 sodium_lauryl_sulfate Low-priority: Computational docking olanzapine vs glaucoma targets. Cross-check olanzapine pharmacophore against glaucoma pathway. proparacaine ovarian_cancer GAP_LOW 0.1088 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs ovarian_cancer targets. Cross-check proparacaine pharmacophore against ovarian_cancer pathway. proparacaine uterine_cancer GAP_LOW 0.1088 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs uterine_cancer targets. Cross-check proparacaine pharmacophore against uterine_cancer pathway. proparacaine thymus_cancer GAP_LOW 0.1088 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs thymus_cancer targets. Cross-check proparacaine pharmacophore against thymus_cancer pathway. conjugated_estrogens chronic_kidney_failure GAP_LOW 0.1088 0.09090909090909091 carbinoxamine Low-priority: Computational docking conjugated_estrogens vs chronic_kidney_failure targets. Cross-check conjugated_estrogens pharmacophore against chronic_kidney_failure pathway. dihydrotachysterol celiac_disease GAP_LOW 0.1088 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs celiac_disease targets. Cross-check dihydrotachysterol pharmacophore against celiac_disease pathway. isoetarine brain_cancer GAP_LOW 0.1088 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs brain_cancer targets. Cross-check isoetarine pharmacophore against brain_cancer pathway. isoetarine intracranial_aneurysm GAP_LOW 0.1088 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs intracranial_aneurysm targets. Cross-check isoetarine pharmacophore against intracranial_aneurysm pathway. nabumetone atopic_dermatitis GAP_LOW 0.1088 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs atopic_dermatitis targets. Cross-check nabumetone pharmacophore against atopic_dermatitis pathway. midazolam gestational_diabetes GAP_LOW 0.1088 0.07142857142857142 glisoxepide Low-priority: Computational docking midazolam vs gestational_diabetes targets. Cross-check midazolam pharmacophore against gestational_diabetes pathway. midodrine allergic_rhinitis GAP_LOW 0.1088 0.07142857142857142 cyproterone_acetate Low-priority: Computational docking midodrine vs allergic_rhinitis targets. Cross-check midodrine pharmacophore against allergic_rhinitis pathway. dyphylline sclerosing_cholangitis GAP_LOW 0.1088 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs sclerosing_cholangitis targets. Cross-check dyphylline pharmacophore against sclerosing_cholangitis pathway. dopamine chronic_kidney_failure GAP_LOW 0.1088 0.058823529411764705 salsalate Low-priority: Computational docking dopamine vs chronic_kidney_failure targets. Cross-check dopamine pharmacophore against chronic_kidney_failure pathway. aciclovir chronic_kidney_failure GAP_LOW 0.1088 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs chronic_kidney_failure targets. Cross-check aciclovir pharmacophore against chronic_kidney_failure pathway. l-cysteine chronic_obstructive_pulmonary_disease GAP_LOW 0.1088 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs chronic_obstructive_pulmonary_disease targets. Cross-check l-cysteine pharmacophore against chronic_obstructive_pulmonary_disease pathway. propafenone leprosy GAP_LOW 0.1088 0.038461538461538464 phensuximide Low-priority: Computational docking propafenone vs leprosy targets. Cross-check propafenone pharmacophore against leprosy pathway. furosemide alcohol_dependence GAP_LOW 0.1088 0.024390243902439025 mazindol Low-priority: Computational docking furosemide vs alcohol_dependence targets. Cross-check furosemide pharmacophore against alcohol_dependence pathway. folic_acid pagets_disease_of_bone GAP_LOW 0.1088 0.0 ibandronate Low-priority: Computational docking folic_acid vs pagets_disease_of_bone targets. Cross-check folic_acid pharmacophore against pagets_disease_of_bone pathway. mannitol creutzfeldt-jakob_disease GAP_LOW 0.1088 0.0 loxapine Low-priority: Computational docking mannitol vs creutzfeldt-jakob_disease targets. Cross-check mannitol pharmacophore against creutzfeldt-jakob_disease pathway. tetrahydrofolic_acid pagets_disease_of_bone GAP_LOW 0.1088 0.0 ibandronate Low-priority: Computational docking tetrahydrofolic_acid vs pagets_disease_of_bone targets. Cross-check tetrahydrofolic_acid pharmacophore against pagets_disease_of_bone pathway. thioproperazine pagets_disease_of_bone GAP_LOW 0.1088 0.0 ibandronate Low-priority: Computational docking thioproperazine vs pagets_disease_of_bone targets. Cross-check thioproperazine pharmacophore against pagets_disease_of_bone pathway. ethopropazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1087 0.3333333333333333 trimipramine High-priority: Binding assay ethopropazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to trimipramine (Jaccard=0.33) thiothixene melanoma GAP_HIGH 0.1087 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in melanoma cell model. Expected: similar to ethopropazine (Jaccard=0.33) aminosalicylic_acid idiopathic_pulmonary_fibrosis GAP_HIGH 0.1087 0.2727272727272727 isoprenaline High-priority: Binding assay aminosalicylic_acid→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to isoprenaline (Jaccard=0.27) atomoxetine focal_segmental_glomerulosclerosis GAP_HIGH 0.1087 0.23076923076923078 promethazine High-priority: Binding assay atomoxetine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.23) prednicarbate panic_disorder GAP_HIGH 0.1087 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.20) sunitinib germ_cell_cancer GAP_HIGH 0.1087 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in germ_cell_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) lisinopril gout GAP_HIGH 0.1087 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in gout cell model. Expected: similar to desipramine (Jaccard=0.18) nitrazepam ocular_cancer GAP_HIGH 0.1087 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in ocular_cancer cell model. Expected: similar to practolol (Jaccard=0.18) lidocaine skin_cancer GAP_HIGH 0.1087 0.17647058823529413 erlotinib High-priority: Binding assay lidocaine→?; validate in skin_cancer cell model. Expected: similar to erlotinib (Jaccard=0.18) oxybuprocaine meningioma GAP_HIGH 0.1087 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.17) aprindine esophageal_cancer GAP_HIGH 0.1087 0.16666666666666666 tamoxifen High-priority: Binding assay aprindine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) docetaxel type_1_diabetes_mellitus GAP_HIGH 0.1087 0.16666666666666666 glyburide High-priority: Binding assay docetaxel→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to glyburide (Jaccard=0.17) afatinib azoospermia GAP_HIGH 0.1087 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) pimozide chronic_obstructive_pulmonary_disease GAP_HIGH 0.1087 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to fentanyl (Jaccard=0.16) pamidronate primary_biliary_cirrhosis GAP_HIGH 0.1087 0.15384615384615385 etoricoxib High-priority: Binding assay pamidronate→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.15) teniposide focal_segmental_glomerulosclerosis GAP_LOW 0.1087 0.14285714285714285 amsacrine Low-priority: Computational docking teniposide vs focal_segmental_glomerulosclerosis targets. Cross-check teniposide pharmacophore against focal_segmental_glomerulosclerosis pathway. trilostane attention_deficit_hyperactivity_disorder GAP_LOW 0.1087 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs attention_deficit_hyperactivity_disorder targets. Cross-check trilostane pharmacophore against attention_deficit_hyperactivity_disorder pathway. medroxyprogesterone_acetate azoospermia GAP_LOW 0.1087 0.125 dienestrol Low-priority: Computational docking medroxyprogesterone_acetate vs azoospermia targets. Cross-check medroxyprogesterone_acetate pharmacophore against azoospermia pathway. orciprenaline azoospermia GAP_LOW 0.1087 0.125 indecainide Low-priority: Computational docking orciprenaline vs azoospermia targets. Cross-check orciprenaline pharmacophore against azoospermia pathway. ziprasidone melanoma GAP_LOW 0.1087 0.125 alendronate Low-priority: Computational docking ziprasidone vs melanoma targets. Cross-check ziprasidone pharmacophore against melanoma pathway. nilotinib migraine GAP_LOW 0.1087 0.11538461538461539 pseudoephedrine Low-priority: Computational docking nilotinib vs migraine targets. Cross-check nilotinib pharmacophore against migraine pathway. practolol azoospermia GAP_LOW 0.1087 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs azoospermia targets. Cross-check practolol pharmacophore against azoospermia pathway. adinazolam melanoma GAP_LOW 0.1087 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs melanoma targets. Cross-check adinazolam pharmacophore against melanoma pathway. telmisartan azoospermia GAP_LOW 0.1087 0.1 aprindine Low-priority: Computational docking telmisartan vs azoospermia targets. Cross-check telmisartan pharmacophore against azoospermia pathway. abacavir esophageal_cancer GAP_LOW 0.1087 0.09090909090909091 epirubicin Low-priority: Computational docking abacavir vs esophageal_cancer targets. Cross-check abacavir pharmacophore against esophageal_cancer pathway. nabumetone uterine_fibroid GAP_LOW 0.1087 0.08333333333333333 nandrolone_phenpropionate Low-priority: Computational docking nabumetone vs uterine_fibroid targets. Cross-check nabumetone pharmacophore against uterine_fibroid pathway. aprindine gestational_diabetes GAP_LOW 0.1087 0.07692307692307693 glimepiride Low-priority: Computational docking aprindine vs gestational_diabetes targets. Cross-check aprindine pharmacophore against gestational_diabetes pathway. nabumetone allergic_rhinitis GAP_LOW 0.1087 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs allergic_rhinitis targets. Cross-check nabumetone pharmacophore against allergic_rhinitis pathway. l-cysteine germ_cell_cancer GAP_LOW 0.1087 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs germ_cell_cancer targets. Cross-check l-cysteine pharmacophore against germ_cell_cancer pathway. aciclovir bone_cancer GAP_LOW 0.1087 0.0 ibandronate Low-priority: Computational docking aciclovir vs bone_cancer targets. Cross-check aciclovir pharmacophore against bone_cancer pathway. adenosine gestational_diabetes GAP_LOW 0.1087 0.0 tolazamide Low-priority: Computational docking adenosine vs gestational_diabetes targets. Cross-check adenosine pharmacophore against gestational_diabetes pathway. adinazolam bone_cancer GAP_LOW 0.1087 0.0 ibandronate Low-priority: Computational docking adinazolam vs bone_cancer targets. Cross-check adinazolam pharmacophore against bone_cancer pathway. adinazolam gestational_diabetes GAP_LOW 0.1087 0.0 tolazamide Low-priority: Computational docking adinazolam vs gestational_diabetes targets. Cross-check adinazolam pharmacophore against gestational_diabetes pathway. benzthiazide larynx_cancer GAP_LOW 0.1087 0.0 vinblastine Low-priority: Computational docking benzthiazide vs larynx_cancer targets. Cross-check benzthiazide pharmacophore against larynx_cancer pathway. flurazepam bone_cancer GAP_LOW 0.1087 0.0 ibandronate Low-priority: Computational docking flurazepam vs bone_cancer targets. Cross-check flurazepam pharmacophore against bone_cancer pathway. paricalcitol bone_cancer GAP_LOW 0.1087 0.0 ibandronate Low-priority: Computational docking paricalcitol vs bone_cancer targets. Cross-check paricalcitol pharmacophore against bone_cancer pathway. paricalcitol gestational_diabetes GAP_LOW 0.1087 0.0 tolazamide Low-priority: Computational docking paricalcitol vs gestational_diabetes targets. Cross-check paricalcitol pharmacophore against gestational_diabetes pathway. phenylephrine bone_cancer GAP_LOW 0.1087 0.0 ibandronate Low-priority: Computational docking phenylephrine vs bone_cancer targets. Cross-check phenylephrine pharmacophore against bone_cancer pathway. phenylephrine gestational_diabetes GAP_LOW 0.1087 0.0 tolazamide Low-priority: Computational docking phenylephrine vs gestational_diabetes targets. Cross-check phenylephrine pharmacophore against gestational_diabetes pathway. streptozocin larynx_cancer GAP_LOW 0.1087 0.0 vinblastine Low-priority: Computational docking streptozocin vs larynx_cancer targets. Cross-check streptozocin pharmacophore against larynx_cancer pathway. estrone head_and_neck_cancer GAP_HIGH 0.1086 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in head_and_neck_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) propericiazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1086 0.26666666666666666 azatadine High-priority: Binding assay propericiazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.27) brompheniramine uterine_fibroid GAP_HIGH 0.1086 0.25 tamoxifen High-priority: Binding assay brompheniramine→?; validate in uterine_fibroid cell model. Expected: similar to tamoxifen (Jaccard=0.25) clozapine mediastinal_cancer GAP_HIGH 0.1086 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) spironolactone type_1_diabetes_mellitus GAP_HIGH 0.1086 0.23809523809523808 fludrocortisone High-priority: Binding assay spironolactone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to fludrocortisone (Jaccard=0.24) estradiol type_1_diabetes_mellitus GAP_HIGH 0.1086 0.21052631578947367 exemestane High-priority: Binding assay estradiol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to exemestane (Jaccard=0.21) aprindine primary_biliary_cirrhosis GAP_HIGH 0.1086 0.2 alvimopan High-priority: Binding assay aprindine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.20) clobazam urinary_bladder_cancer GAP_HIGH 0.1086 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.20) clodronate bipolar_disorder GAP_HIGH 0.1086 0.2 metolazone High-priority: Binding assay clodronate→?; validate in bipolar_disorder cell model. Expected: similar to metolazone (Jaccard=0.20) clotrimazole malaria GAP_HIGH 0.1086 0.2 modafinil High-priority: Binding assay clotrimazole→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.20) prednicarbate conduct_disorder GAP_HIGH 0.1086 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.20) floctafenine crohns_disease GAP_HIGH 0.1086 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in crohns_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) midazolam glaucoma GAP_HIGH 0.1086 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in glaucoma cell model. Expected: similar to practolol (Jaccard=0.17) glucosamine crohns_disease GAP_HIGH 0.1086 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in crohns_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) olanzapine pancreatitis GAP_HIGH 0.1086 0.15384615384615385 temazepam High-priority: Binding assay olanzapine→?; validate in pancreatitis cell model. Expected: similar to temazepam (Jaccard=0.15) sulfamethizole malignant_mesothelioma GAP_LOW 0.1086 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs malignant_mesothelioma targets. Cross-check sulfamethizole pharmacophore against malignant_mesothelioma pathway. ethotoin pharynx_cancer GAP_LOW 0.1086 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs pharynx_cancer targets. Cross-check ethotoin pharmacophore against pharynx_cancer pathway. pemetrexed ankylosing_spondylitis GAP_LOW 0.1086 0.125 sorafenib Low-priority: Computational docking pemetrexed vs ankylosing_spondylitis targets. Cross-check pemetrexed pharmacophore against ankylosing_spondylitis pathway. telmisartan pancreatitis GAP_LOW 0.1086 0.125 cinnarizine Low-priority: Computational docking telmisartan vs pancreatitis targets. Cross-check telmisartan pharmacophore against pancreatitis pathway. hydromorphone germ_cell_cancer GAP_LOW 0.1086 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs germ_cell_cancer targets. Cross-check hydromorphone pharmacophore against germ_cell_cancer pathway. lenalidomide narcolepsy GAP_LOW 0.1086 0.1111111111111111 isoprenaline Low-priority: Computational docking lenalidomide vs narcolepsy targets. Cross-check lenalidomide pharmacophore against narcolepsy pathway. sulfamethizole gilles_de_la_tourette_syndrome GAP_LOW 0.1086 0.1111111111111111 meclizine Low-priority: Computational docking sulfamethizole vs gilles_de_la_tourette_syndrome targets. Cross-check sulfamethizole pharmacophore against gilles_de_la_tourette_syndrome pathway. cinchocaine idiopathic_pulmonary_fibrosis GAP_LOW 0.1086 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs idiopathic_pulmonary_fibrosis targets. Cross-check cinchocaine pharmacophore against idiopathic_pulmonary_fibrosis pathway. dyphylline metabolic_syndrome_x GAP_LOW 0.1086 0.07692307692307693 pravastatin Low-priority: Computational docking dyphylline vs metabolic_syndrome_x targets. Cross-check dyphylline pharmacophore against metabolic_syndrome_x pathway. dyphylline alzheimers_disease GAP_LOW 0.1086 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs alzheimers_disease targets. Cross-check dyphylline pharmacophore against alzheimers_disease pathway. dyphylline autistic_disorder GAP_LOW 0.1086 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs autistic_disorder targets. Cross-check dyphylline pharmacophore against autistic_disorder pathway. dyphylline nicotine_dependence GAP_LOW 0.1086 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs nicotine_dependence targets. Cross-check dyphylline pharmacophore against nicotine_dependence pathway. dyphylline parkinsons_disease GAP_LOW 0.1086 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs parkinsons_disease targets. Cross-check dyphylline pharmacophore against parkinsons_disease pathway. desmopressin azoospermia GAP_LOW 0.1086 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs azoospermia targets. Cross-check desmopressin pharmacophore against azoospermia pathway. fulvestrant bone_cancer GAP_LOW 0.1086 0.06666666666666667 tetrahydrofolic_acid Low-priority: Computational docking fulvestrant vs bone_cancer targets. Cross-check fulvestrant pharmacophore against bone_cancer pathway. desmopressin head_and_neck_cancer GAP_LOW 0.1086 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs head_and_neck_cancer targets. Cross-check desmopressin pharmacophore against head_and_neck_cancer pathway. desmopressin malignant_glioma GAP_LOW 0.1086 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs malignant_glioma targets. Cross-check desmopressin pharmacophore against malignant_glioma pathway. dopamine focal_segmental_glomerulosclerosis GAP_LOW 0.1086 0.047619047619047616 tamsulosin Low-priority: Computational docking dopamine vs focal_segmental_glomerulosclerosis targets. Cross-check dopamine pharmacophore against focal_segmental_glomerulosclerosis pathway. nabumetone membranous_glomerulonephritis GAP_LOW 0.1086 0.043478260869565216 dimetacrine Low-priority: Computational docking nabumetone vs membranous_glomerulonephritis targets. Cross-check nabumetone pharmacophore against membranous_glomerulonephritis pathway. flurazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1086 0.03571428571428571 vidarabine Low-priority: Computational docking flurazepam vs acquired_immunodeficiency_syndrome targets. Cross-check flurazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. promethazine prostate_cancer GAP_HIGH 0.1085 0.3076923076923077 isopropamide High-priority: Binding assay promethazine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.31) dexamethasone systemic_lupus_erythematosus GAP_HIGH 0.1085 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to doxorubicin (Jaccard=0.29) etoricoxib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1085 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ritodrine (Jaccard=0.27) clozapine thymus_cancer GAP_HIGH 0.1085 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) ketoprofen sarcoma GAP_HIGH 0.1085 0.2222222222222222 epinephrine High-priority: Binding assay ketoprofen→?; validate in sarcoma cell model. Expected: similar to epinephrine (Jaccard=0.22) prednicarbate bipolar_disorder GAP_HIGH 0.1085 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.20) orphenadrine ocular_cancer GAP_HIGH 0.1085 0.17647058823529413 phenylbutazone High-priority: Binding assay orphenadrine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) sulfadiazine testicular_cancer GAP_HIGH 0.1085 0.17391304347826086 droxidopa High-priority: Binding assay sulfadiazine→?; validate in testicular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) pamidronate metabolic_syndrome_x GAP_HIGH 0.1085 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in metabolic_syndrome_x cell model. Expected: similar to phenelzine (Jaccard=0.17) pimozide systemic_lupus_erythematosus GAP_HIGH 0.1085 0.16666666666666666 calcidiol High-priority: Binding assay pimozide→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to calcidiol (Jaccard=0.17) pimozide pancreatitis GAP_HIGH 0.1085 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in pancreatitis cell model. Expected: similar to fentanyl (Jaccard=0.16) procarbazine type_1_diabetes_mellitus GAP_HIGH 0.1085 0.15384615384615385 gliquidone High-priority: Binding assay procarbazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to gliquidone (Jaccard=0.15) l-glutamine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1085 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to l-histidine (Jaccard=0.15) etonogestrel narcolepsy GAP_LOW 0.1085 0.125 l-tryptophan Low-priority: Computational docking etonogestrel vs narcolepsy targets. Cross-check etonogestrel pharmacophore against narcolepsy pathway. melphalan acquired_immunodeficiency_syndrome GAP_LOW 0.1085 0.125 mitiglinide Low-priority: Computational docking melphalan vs acquired_immunodeficiency_syndrome targets. Cross-check melphalan pharmacophore against acquired_immunodeficiency_syndrome pathway. dihydrotachysterol asthma GAP_LOW 0.1085 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs asthma targets. Cross-check dihydrotachysterol pharmacophore against asthma pathway. dihydrotachysterol conduct_disorder GAP_LOW 0.1085 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs conduct_disorder targets. Cross-check dihydrotachysterol pharmacophore against conduct_disorder pathway. dihydrotachysterol panic_disorder GAP_LOW 0.1085 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs panic_disorder targets. Cross-check dihydrotachysterol pharmacophore against panic_disorder pathway. dihydrotachysterol schizophrenia GAP_LOW 0.1085 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs schizophrenia targets. Cross-check dihydrotachysterol pharmacophore against schizophrenia pathway. raloxifene alcohol_dependence GAP_LOW 0.1085 0.1111111111111111 naloxone Low-priority: Computational docking raloxifene vs alcohol_dependence targets. Cross-check raloxifene pharmacophore against alcohol_dependence pathway. desmopressin metabolic_syndrome_x GAP_LOW 0.1085 0.1 clopidogrel Low-priority: Computational docking desmopressin vs metabolic_syndrome_x targets. Cross-check desmopressin pharmacophore against metabolic_syndrome_x pathway. bethanidine bone_cancer GAP_LOW 0.1085 0.08695652173913043 alendronate Low-priority: Computational docking bethanidine vs bone_cancer targets. Cross-check bethanidine pharmacophore against bone_cancer pathway. adinazolam glaucoma GAP_LOW 0.1085 0.07692307692307693 practolol Low-priority: Computational docking adinazolam vs glaucoma targets. Cross-check adinazolam pharmacophore against glaucoma pathway. indomethacin germ_cell_cancer GAP_LOW 0.1085 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs germ_cell_cancer targets. Cross-check indomethacin pharmacophore against germ_cell_cancer pathway. paricalcitol kidney_cancer GAP_LOW 0.1085 0.07692307692307693 sulfamethizole Low-priority: Computational docking paricalcitol vs kidney_cancer targets. Cross-check paricalcitol pharmacophore against kidney_cancer pathway. dyphylline amyotrophic_lateral_sclerosis GAP_LOW 0.1085 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs amyotrophic_lateral_sclerosis targets. Cross-check dyphylline pharmacophore against amyotrophic_lateral_sclerosis pathway. fluspirilene malaria GAP_LOW 0.1085 0.07142857142857142 methylphenobarbital Low-priority: Computational docking fluspirilene vs malaria targets. Cross-check fluspirilene pharmacophore against malaria pathway. tripelennamine acquired_immunodeficiency_syndrome GAP_LOW 0.1085 0.07142857142857142 lisinopril Low-priority: Computational docking tripelennamine vs acquired_immunodeficiency_syndrome targets. Cross-check tripelennamine pharmacophore against acquired_immunodeficiency_syndrome pathway. dyphylline pharynx_cancer GAP_LOW 0.1085 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs pharynx_cancer targets. Cross-check dyphylline pharmacophore against pharynx_cancer pathway. nelarabine migraine GAP_LOW 0.1085 0.06666666666666667 chloroprocaine Low-priority: Computational docking nelarabine vs migraine targets. Cross-check nelarabine pharmacophore against migraine pathway. desmopressin kidney_cancer GAP_LOW 0.1085 0.058823529411764705 sulfamethizole Low-priority: Computational docking desmopressin vs kidney_cancer targets. Cross-check desmopressin pharmacophore against kidney_cancer pathway. diclofenac dilated_cardiomyopathy GAP_LOW 0.1085 0.05263157894736842 medrysone Low-priority: Computational docking diclofenac vs dilated_cardiomyopathy targets. Cross-check diclofenac pharmacophore against dilated_cardiomyopathy pathway. l-cysteine pancreatitis GAP_LOW 0.1085 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs pancreatitis targets. Cross-check l-cysteine pharmacophore against pancreatitis pathway. bimatoprost chronic_kidney_failure GAP_LOW 0.1085 0.041666666666666664 bevantolol Low-priority: Computational docking bimatoprost vs chronic_kidney_failure targets. Cross-check bimatoprost pharmacophore against chronic_kidney_failure pathway. dyphylline focal_segmental_glomerulosclerosis GAP_LOW 0.1085 0.034482758620689655 bevantolol Low-priority: Computational docking dyphylline vs focal_segmental_glomerulosclerosis targets. Cross-check dyphylline pharmacophore against focal_segmental_glomerulosclerosis pathway. linaclotide focal_segmental_glomerulosclerosis GAP_LOW 0.1085 0.0 methdilazine Low-priority: Computational docking linaclotide vs focal_segmental_glomerulosclerosis targets. Cross-check linaclotide pharmacophore against focal_segmental_glomerulosclerosis pathway. mannitol pharynx_cancer GAP_LOW 0.1085 0.0 hydrocortisone Low-priority: Computational docking mannitol vs pharynx_cancer targets. Cross-check mannitol pharmacophore against pharynx_cancer pathway. naftifine pagets_disease_of_bone GAP_LOW 0.1085 0.0 ibandronate Low-priority: Computational docking naftifine vs pagets_disease_of_bone targets. Cross-check naftifine pharmacophore against pagets_disease_of_bone pathway. promazine pagets_disease_of_bone GAP_LOW 0.1085 0.0 ibandronate Low-priority: Computational docking promazine vs pagets_disease_of_bone targets. Cross-check promazine pharmacophore against pagets_disease_of_bone pathway. pyrimethamine focal_segmental_glomerulosclerosis GAP_LOW 0.1085 0.0 methdilazine Low-priority: Computational docking pyrimethamine vs focal_segmental_glomerulosclerosis targets. Cross-check pyrimethamine pharmacophore against focal_segmental_glomerulosclerosis pathway. tauroursodeoxycholic_acid pharynx_cancer GAP_LOW 0.1085 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs pharynx_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against pharynx_cancer pathway. trimipramine pagets_disease_of_bone GAP_LOW 0.1085 0.0 ibandronate Low-priority: Computational docking trimipramine vs pagets_disease_of_bone targets. Cross-check trimipramine pharmacophore against pagets_disease_of_bone pathway. warfarin pagets_disease_of_bone GAP_LOW 0.1085 0.0 ibandronate Low-priority: Computational docking warfarin vs pagets_disease_of_bone targets. Cross-check warfarin pharmacophore against pagets_disease_of_bone pathway. propiomazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1084 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.25) propiomazine urinary_bladder_cancer GAP_HIGH 0.1084 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) lacosamide membranous_glomerulonephritis GAP_HIGH 0.1084 0.21428571428571427 mitiglinide High-priority: Binding assay lacosamide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.21) clodronate migraine GAP_HIGH 0.1084 0.2 metolazone High-priority: Binding assay clodronate→?; validate in migraine cell model. Expected: similar to metolazone (Jaccard=0.20) clodronate multiple_sclerosis GAP_HIGH 0.1084 0.2 metolazone High-priority: Binding assay clodronate→?; validate in multiple_sclerosis cell model. Expected: similar to metolazone (Jaccard=0.20) prednicarbate endogenous_depression GAP_HIGH 0.1084 0.2 levorphanol High-priority: Binding assay prednicarbate→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.20) vinblastine creutzfeldt-jakob_disease GAP_HIGH 0.1084 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to epinastine (Jaccard=0.20) nitrazepam peripheral_nervous_system_neoplasm GAP_HIGH 0.1084 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to practolol (Jaccard=0.18) oxybuprocaine crohns_disease GAP_HIGH 0.1084 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in crohns_disease cell model. Expected: similar to modafinil (Jaccard=0.17) azatadine larynx_cancer GAP_HIGH 0.1084 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in larynx_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) brompheniramine atherosclerosis GAP_HIGH 0.1084 0.16666666666666666 warfarin High-priority: Binding assay brompheniramine→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.17) clonidine hepatitis_b GAP_HIGH 0.1084 0.16666666666666666 alvimopan High-priority: Binding assay clonidine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.17) estazolam skin_cancer GAP_HIGH 0.1084 0.16129032258064516 flurbiprofen High-priority: Binding assay estazolam→?; validate in skin_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.16) dexamethasone dilated_cardiomyopathy GAP_LOW 0.1084 0.14285714285714285 progesterone Low-priority: Computational docking dexamethasone vs dilated_cardiomyopathy targets. Cross-check dexamethasone pharmacophore against dilated_cardiomyopathy pathway. trilostane panic_disorder GAP_LOW 0.1084 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs panic_disorder targets. Cross-check trilostane pharmacophore against panic_disorder pathway. trilostane schizophrenia GAP_LOW 0.1084 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs schizophrenia targets. Cross-check trilostane pharmacophore against schizophrenia pathway. clonazepam mediastinal_cancer GAP_LOW 0.1084 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs mediastinal_cancer targets. Cross-check clonazepam pharmacophore against mediastinal_cancer pathway. pemetrexed chronic_obstructive_pulmonary_disease GAP_LOW 0.1084 0.125 epinephrine Low-priority: Computational docking pemetrexed vs chronic_obstructive_pulmonary_disease targets. Cross-check pemetrexed pharmacophore against chronic_obstructive_pulmonary_disease pathway. tolmetin head_and_neck_cancer GAP_LOW 0.1084 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs head_and_neck_cancer targets. Cross-check tolmetin pharmacophore against head_and_neck_cancer pathway. tolmetin malignant_glioma GAP_LOW 0.1084 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs malignant_glioma targets. Cross-check tolmetin pharmacophore against malignant_glioma pathway. cladribine head_and_neck_cancer GAP_LOW 0.1084 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs head_and_neck_cancer targets. Cross-check cladribine pharmacophore against head_and_neck_cancer pathway. cladribine malignant_glioma GAP_LOW 0.1084 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs malignant_glioma targets. Cross-check cladribine pharmacophore against malignant_glioma pathway. alitretinoin meningioma GAP_LOW 0.1084 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs meningioma targets. Cross-check alitretinoin pharmacophore against meningioma pathway. dihydrotachysterol allergic_rhinitis GAP_LOW 0.1084 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs allergic_rhinitis targets. Cross-check dihydrotachysterol pharmacophore against allergic_rhinitis pathway. dihydrotachysterol atopic_dermatitis GAP_LOW 0.1084 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs atopic_dermatitis targets. Cross-check dihydrotachysterol pharmacophore against atopic_dermatitis pathway. dihydrotachysterol breast_cancer GAP_LOW 0.1084 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs breast_cancer targets. Cross-check dihydrotachysterol pharmacophore against breast_cancer pathway. dihydrotachysterol colon_cancer GAP_LOW 0.1084 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs colon_cancer targets. Cross-check dihydrotachysterol pharmacophore against colon_cancer pathway. etonogestrel membranous_glomerulonephritis GAP_LOW 0.1084 0.1111111111111111 calcitriol Low-priority: Computational docking etonogestrel vs membranous_glomerulonephritis targets. Cross-check etonogestrel pharmacophore against membranous_glomerulonephritis pathway. cinchocaine primary_biliary_cirrhosis GAP_LOW 0.1084 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs primary_biliary_cirrhosis targets. Cross-check cinchocaine pharmacophore against primary_biliary_cirrhosis pathway. calcitriol pancreatitis GAP_LOW 0.1084 0.1 pasireotide Low-priority: Computational docking calcitriol vs pancreatitis targets. Cross-check calcitriol pharmacophore against pancreatitis pathway. clotiazepam muscle_cancer GAP_LOW 0.1084 0.09523809523809523 phensuximide Low-priority: Computational docking clotiazepam vs muscle_cancer targets. Cross-check clotiazepam pharmacophore against muscle_cancer pathway. hydrochlorothiazide pancreatitis GAP_LOW 0.1084 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs pancreatitis targets. Cross-check hydrochlorothiazide pharmacophore against pancreatitis pathway. enalapril lymphatic_system_cancer GAP_LOW 0.1084 0.07692307692307693 aciclovir Low-priority: Computational docking enalapril vs lymphatic_system_cancer targets. Cross-check enalapril pharmacophore against lymphatic_system_cancer pathway. nabumetone sarcoma GAP_LOW 0.1084 0.07692307692307693 prednicarbate Low-priority: Computational docking nabumetone vs sarcoma targets. Cross-check nabumetone pharmacophore against sarcoma pathway. terlipressin salivary_gland_cancer GAP_LOW 0.1084 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs salivary_gland_cancer targets. Cross-check terlipressin pharmacophore against salivary_gland_cancer pathway. flurazepam atherosclerosis GAP_LOW 0.1084 0.05714285714285714 flurbiprofen Low-priority: Computational docking flurazepam vs atherosclerosis targets. Cross-check flurazepam pharmacophore against atherosclerosis pathway. sulfaphenazole bone_cancer GAP_LOW 0.1084 0.05263157894736842 tetrahydrofolic_acid Low-priority: Computational docking sulfaphenazole vs bone_cancer targets. Cross-check sulfaphenazole pharmacophore against bone_cancer pathway. l-cysteine panic_disorder GAP_LOW 0.1084 0.05 l-lysine Low-priority: Computational docking l-cysteine vs panic_disorder targets. Cross-check l-cysteine pharmacophore against panic_disorder pathway. l-asparagine lung_cancer GAP_LOW 0.1084 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs lung_cancer targets. Cross-check l-asparagine pharmacophore against lung_cancer pathway. l-asparagine rectum_cancer GAP_LOW 0.1084 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs rectum_cancer targets. Cross-check l-asparagine pharmacophore against rectum_cancer pathway. l-methionine penile_cancer GAP_LOW 0.1084 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs penile_cancer targets. Cross-check l-methionine pharmacophore against penile_cancer pathway. dimetindene leprosy GAP_LOW 0.1084 0.0 sulfapyridine Low-priority: Computational docking dimetindene vs leprosy targets. Cross-check dimetindene pharmacophore against leprosy pathway. l-arginine gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking l-arginine vs gilles_de_la_tourette_syndrome targets. Cross-check l-arginine pharmacophore against gilles_de_la_tourette_syndrome pathway. l-asparagine gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking l-asparagine vs gilles_de_la_tourette_syndrome targets. Cross-check l-asparagine pharmacophore against gilles_de_la_tourette_syndrome pathway. l-aspartic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking l-aspartic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check l-aspartic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. l-methionine gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking l-methionine vs gilles_de_la_tourette_syndrome targets. Cross-check l-methionine pharmacophore against gilles_de_la_tourette_syndrome pathway. l-ornithine gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking l-ornithine vs gilles_de_la_tourette_syndrome targets. Cross-check l-ornithine pharmacophore against gilles_de_la_tourette_syndrome pathway. linaclotide gilles_de_la_tourette_syndrome GAP_LOW 0.1084 0.0 loxapine Low-priority: Computational docking linaclotide vs gilles_de_la_tourette_syndrome targets. Cross-check linaclotide pharmacophore against gilles_de_la_tourette_syndrome pathway. mannitol ankylosing_spondylitis GAP_LOW 0.1084 0.0 flurazepam Low-priority: Computational docking mannitol vs ankylosing_spondylitis targets. Cross-check mannitol pharmacophore against ankylosing_spondylitis pathway. orphenadrine leprosy GAP_LOW 0.1084 0.0 sulfapyridine Low-priority: Computational docking orphenadrine vs leprosy targets. Cross-check orphenadrine pharmacophore against leprosy pathway. salicylic_acid sclerosing_cholangitis GAP_HIGH 0.1083 0.23529411764705882 salsalate High-priority: Binding assay salicylic_acid→?; validate in sclerosing_cholangitis cell model. Expected: similar to salsalate (Jaccard=0.24) levorphanol epilepsy_syndrome GAP_HIGH 0.1083 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in epilepsy_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) estradiol head_and_neck_cancer GAP_HIGH 0.1083 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in head_and_neck_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) crizotinib osteoarthritis GAP_HIGH 0.1083 0.2 sorafenib High-priority: Binding assay crizotinib→?; validate in osteoarthritis cell model. Expected: similar to sorafenib (Jaccard=0.20) floctafenine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1083 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) floctafenine celiac_disease GAP_HIGH 0.1083 0.15789473684210525 salsalate High-priority: Binding assay floctafenine→?; validate in celiac_disease cell model. Expected: similar to salsalate (Jaccard=0.16) pimozide muscle_cancer GAP_HIGH 0.1083 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in muscle_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) medrysone alcohol_dependence GAP_LOW 0.1083 0.15 levorphanol Low-priority: Computational docking medrysone vs alcohol_dependence targets. Cross-check medrysone pharmacophore against alcohol_dependence pathway. enalapril duodenum_cancer GAP_LOW 0.1083 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs duodenum_cancer targets. Cross-check enalapril pharmacophore against duodenum_cancer pathway. enalapril gallbladder_cancer GAP_LOW 0.1083 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs gallbladder_cancer targets. Cross-check enalapril pharmacophore against gallbladder_cancer pathway. furosemide sarcoma GAP_LOW 0.1083 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs sarcoma targets. Cross-check furosemide pharmacophore against sarcoma pathway. furosemide uterine_cancer GAP_LOW 0.1083 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs uterine_cancer targets. Cross-check furosemide pharmacophore against uterine_cancer pathway. trilostane conduct_disorder GAP_LOW 0.1083 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs conduct_disorder targets. Cross-check trilostane pharmacophore against conduct_disorder pathway. clonazepam thymus_cancer GAP_LOW 0.1083 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs thymus_cancer targets. Cross-check clonazepam pharmacophore against thymus_cancer pathway. chlorphenesin crohns_disease GAP_LOW 0.1083 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs crohns_disease targets. Cross-check chlorphenesin pharmacophore against crohns_disease pathway. telmisartan lung_cancer GAP_LOW 0.1083 0.125 desipramine Low-priority: Computational docking telmisartan vs lung_cancer targets. Cross-check telmisartan pharmacophore against lung_cancer pathway. telmisartan rectum_cancer GAP_LOW 0.1083 0.125 desipramine Low-priority: Computational docking telmisartan vs rectum_cancer targets. Cross-check telmisartan pharmacophore against rectum_cancer pathway. dihydrotachysterol bipolar_disorder GAP_LOW 0.1083 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs bipolar_disorder targets. Cross-check dihydrotachysterol pharmacophore against bipolar_disorder pathway. naproxen acquired_immunodeficiency_syndrome GAP_LOW 0.1083 0.10526315789473684 alvimopan Low-priority: Computational docking naproxen vs acquired_immunodeficiency_syndrome targets. Cross-check naproxen pharmacophore against acquired_immunodeficiency_syndrome pathway. aspartame atherosclerosis GAP_LOW 0.1083 0.09090909090909091 phentermine Low-priority: Computational docking aspartame vs atherosclerosis targets. Cross-check aspartame pharmacophore against atherosclerosis pathway. paricalcitol crohns_disease GAP_LOW 0.1083 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs crohns_disease targets. Cross-check paricalcitol pharmacophore against crohns_disease pathway. chlorpropamide hematologic_cancer GAP_LOW 0.1083 0.08695652173913043 pargyline Low-priority: Computational docking chlorpropamide vs hematologic_cancer targets. Cross-check chlorpropamide pharmacophore against hematologic_cancer pathway. cinchocaine refractive_error GAP_LOW 0.1083 0.08333333333333333 phenylephrine Low-priority: Computational docking cinchocaine vs refractive_error targets. Cross-check cinchocaine pharmacophore against refractive_error pathway. dyphylline attention_deficit_hyperactivity_disorder GAP_LOW 0.1083 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs attention_deficit_hyperactivity_disorder targets. Cross-check dyphylline pharmacophore against attention_deficit_hyperactivity_disorder pathway. liothyronine leprosy GAP_LOW 0.1083 0.07142857142857142 menadione Low-priority: Computational docking liothyronine vs leprosy targets. Cross-check liothyronine pharmacophore against leprosy pathway. ospemifene larynx_cancer GAP_LOW 0.1083 0.07142857142857142 pantoprazole Low-priority: Computational docking ospemifene vs larynx_cancer targets. Cross-check ospemifene pharmacophore against larynx_cancer pathway. sulfaphenazole alcohol_dependence GAP_LOW 0.1083 0.0625 midazolam Low-priority: Computational docking sulfaphenazole vs alcohol_dependence targets. Cross-check sulfaphenazole pharmacophore against alcohol_dependence pathway. terlipressin muscle_cancer GAP_LOW 0.1083 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs muscle_cancer targets. Cross-check terlipressin pharmacophore against muscle_cancer pathway. l-citrulline lung_cancer GAP_LOW 0.1083 0.05357142857142857 dexamethasone Low-priority: Computational docking l-citrulline vs lung_cancer targets. Cross-check l-citrulline pharmacophore against lung_cancer pathway. l-cysteine schizophrenia GAP_LOW 0.1083 0.05 l-lysine Low-priority: Computational docking l-cysteine vs schizophrenia targets. Cross-check l-cysteine pharmacophore against schizophrenia pathway. conivaptan meningioma GAP_LOW 0.1083 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs meningioma targets. Cross-check conivaptan pharmacophore against meningioma pathway. mannitol thyroid_cancer GAP_LOW 0.1083 0.0 hydrocortisone Low-priority: Computational docking mannitol vs thyroid_cancer targets. Cross-check mannitol pharmacophore against thyroid_cancer pathway. pravastatin thyroid_cancer GAP_LOW 0.1083 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs thyroid_cancer targets. Cross-check pravastatin pharmacophore against thyroid_cancer pathway. etoricoxib asthma GAP_HIGH 0.1082 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in asthma cell model. Expected: similar to ritodrine (Jaccard=0.27) acetylsalicylic_acid germ_cell_cancer GAP_HIGH 0.1082 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in germ_cell_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) cinnarizine duodenum_cancer GAP_HIGH 0.1082 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in duodenum_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) cinnarizine gallbladder_cancer GAP_HIGH 0.1082 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in gallbladder_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) desipramine larynx_cancer GAP_HIGH 0.1082 0.2 vincristine High-priority: Binding assay desipramine→?; validate in larynx_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) s-adenosylmethionine prostate_cancer GAP_HIGH 0.1082 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in prostate_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) pimozide rectum_cancer GAP_HIGH 0.1082 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in rectum_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) tripelennamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1082 0.15384615384615385 atomoxetine High-priority: Binding assay tripelennamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.15) phenindamine larynx_cancer GAP_LOW 0.1082 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs larynx_cancer targets. Cross-check phenindamine pharmacophore against larynx_cancer pathway. trilostane bipolar_disorder GAP_LOW 0.1082 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs bipolar_disorder targets. Cross-check trilostane pharmacophore against bipolar_disorder pathway. dydrogesterone alcohol_dependence GAP_LOW 0.1082 0.13043478260869565 levorphanol Low-priority: Computational docking dydrogesterone vs alcohol_dependence targets. Cross-check dydrogesterone pharmacophore against alcohol_dependence pathway. isoprenaline dilated_cardiomyopathy GAP_LOW 0.1082 0.125 milrinone Low-priority: Computational docking isoprenaline vs dilated_cardiomyopathy targets. Cross-check isoprenaline pharmacophore against dilated_cardiomyopathy pathway. norelgestromin schizophrenia GAP_LOW 0.1082 0.125 bifonazole Low-priority: Computational docking norelgestromin vs schizophrenia targets. Cross-check norelgestromin pharmacophore against schizophrenia pathway. tretinoin osteoporosis GAP_LOW 0.1082 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs osteoporosis targets. Cross-check tretinoin pharmacophore against osteoporosis pathway. lisinopril atherosclerosis GAP_LOW 0.1082 0.11538461538461539 bezafibrate Low-priority: Computational docking lisinopril vs atherosclerosis targets. Cross-check lisinopril pharmacophore against atherosclerosis pathway. dasatinib amyotrophic_lateral_sclerosis GAP_LOW 0.1082 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs amyotrophic_lateral_sclerosis targets. Cross-check dasatinib pharmacophore against amyotrophic_lateral_sclerosis pathway. dihydrotachysterol endogenous_depression GAP_LOW 0.1082 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs endogenous_depression targets. Cross-check dihydrotachysterol pharmacophore against endogenous_depression pathway. proparacaine vulva_cancer GAP_LOW 0.1082 0.1111111111111111 moricizine Low-priority: Computational docking proparacaine vs vulva_cancer targets. Cross-check proparacaine pharmacophore against vulva_cancer pathway. adinazolam hematologic_cancer GAP_LOW 0.1082 0.1 flurbiprofen Low-priority: Computational docking adinazolam vs hematologic_cancer targets. Cross-check adinazolam pharmacophore against hematologic_cancer pathway. cinchocaine meningioma GAP_LOW 0.1082 0.1 modafinil Low-priority: Computational docking cinchocaine vs meningioma targets. Cross-check cinchocaine pharmacophore against meningioma pathway. vitamin_a metabolic_syndrome_x GAP_LOW 0.1082 0.1 carvedilol Low-priority: Computational docking vitamin_a vs metabolic_syndrome_x targets. Cross-check vitamin_a pharmacophore against metabolic_syndrome_x pathway. allylestrenol focal_segmental_glomerulosclerosis GAP_LOW 0.1082 0.09090909090909091 calcitriol Low-priority: Computational docking allylestrenol vs focal_segmental_glomerulosclerosis targets. Cross-check allylestrenol pharmacophore against focal_segmental_glomerulosclerosis pathway. calcitriol narcolepsy GAP_LOW 0.1082 0.09090909090909091 salicylate-sodium Low-priority: Computational docking calcitriol vs narcolepsy targets. Cross-check calcitriol pharmacophore against narcolepsy pathway. hydrochlorothiazide muscle_cancer GAP_LOW 0.1082 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs muscle_cancer targets. Cross-check hydrochlorothiazide pharmacophore against muscle_cancer pathway. adenosine crohns_disease GAP_LOW 0.1082 0.08333333333333333 tioguanine Low-priority: Computational docking adenosine vs crohns_disease targets. Cross-check adenosine pharmacophore against crohns_disease pathway. tolbutamide uterine_cancer GAP_LOW 0.1082 0.08333333333333333 aminosalicylic_acid Low-priority: Computational docking tolbutamide vs uterine_cancer targets. Cross-check tolbutamide pharmacophore against uterine_cancer pathway. dyphylline obesity GAP_LOW 0.1082 0.07692307692307693 pravastatin Low-priority: Computational docking dyphylline vs obesity targets. Cross-check dyphylline pharmacophore against obesity pathway. hydrochlorothiazide primary_biliary_cirrhosis GAP_LOW 0.1082 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs primary_biliary_cirrhosis targets. Cross-check hydrochlorothiazide pharmacophore against primary_biliary_cirrhosis pathway. dyphylline thyroid_cancer GAP_LOW 0.1082 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs thyroid_cancer targets. Cross-check dyphylline pharmacophore against thyroid_cancer pathway. zafirlukast gilles_de_la_tourette_syndrome GAP_LOW 0.1082 0.0625 alvimopan Low-priority: Computational docking zafirlukast vs gilles_de_la_tourette_syndrome targets. Cross-check zafirlukast pharmacophore against gilles_de_la_tourette_syndrome pathway. estradiol leprosy GAP_LOW 0.1082 0.05555555555555555 menadione Low-priority: Computational docking estradiol vs leprosy targets. Cross-check estradiol pharmacophore against leprosy pathway. nabumetone primary_biliary_cirrhosis GAP_LOW 0.1082 0.05555555555555555 exemestane Low-priority: Computational docking nabumetone vs primary_biliary_cirrhosis targets. Cross-check nabumetone pharmacophore against primary_biliary_cirrhosis pathway. fenbufen refractive_error GAP_LOW 0.1082 0.05263157894736842 l-dopa Low-priority: Computational docking fenbufen vs refractive_error targets. Cross-check fenbufen pharmacophore against refractive_error pathway. l-asparagine liver_cancer GAP_LOW 0.1082 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs liver_cancer targets. Cross-check l-asparagine pharmacophore against liver_cancer pathway. l-methionine malignant_mesothelioma GAP_LOW 0.1082 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs malignant_mesothelioma targets. Cross-check l-methionine pharmacophore against malignant_mesothelioma pathway. amphetamine type_1_diabetes_mellitus GAP_LOW 0.1082 0.0 hydrocortisone Low-priority: Computational docking amphetamine vs type_1_diabetes_mellitus targets. Cross-check amphetamine pharmacophore against type_1_diabetes_mellitus pathway. cyclopentolate pagets_disease_of_bone GAP_LOW 0.1082 0.0 ibandronate Low-priority: Computational docking cyclopentolate vs pagets_disease_of_bone targets. Cross-check cyclopentolate pharmacophore against pagets_disease_of_bone pathway. fluticasone_propionate pagets_disease_of_bone GAP_LOW 0.1082 0.0 ibandronate Low-priority: Computational docking fluticasone_propionate vs pagets_disease_of_bone targets. Cross-check fluticasone_propionate pharmacophore against pagets_disease_of_bone pathway. isopropamide pagets_disease_of_bone GAP_LOW 0.1082 0.0 ibandronate Low-priority: Computational docking isopropamide vs pagets_disease_of_bone targets. Cross-check isopropamide pharmacophore against pagets_disease_of_bone pathway. mannitol chronic_obstructive_pulmonary_disease GAP_LOW 0.1082 0.0 hydrocortisone Low-priority: Computational docking mannitol vs chronic_obstructive_pulmonary_disease targets. Cross-check mannitol pharmacophore against chronic_obstructive_pulmonary_disease pathway. mannitol epilepsy_syndrome GAP_LOW 0.1082 0.0 flurazepam Low-priority: Computational docking mannitol vs epilepsy_syndrome targets. Cross-check mannitol pharmacophore against epilepsy_syndrome pathway. reboxetine pagets_disease_of_bone GAP_LOW 0.1082 0.0 ibandronate Low-priority: Computational docking reboxetine vs pagets_disease_of_bone targets. Cross-check reboxetine pharmacophore against pagets_disease_of_bone pathway. spironolactone pagets_disease_of_bone GAP_LOW 0.1082 0.0 ibandronate Low-priority: Computational docking spironolactone vs pagets_disease_of_bone targets. Cross-check spironolactone pharmacophore against pagets_disease_of_bone pathway. clotrimazole uterine_cancer GAP_HIGH 0.1081 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) etoricoxib allergic_rhinitis GAP_HIGH 0.1081 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in allergic_rhinitis cell model. Expected: similar to ritodrine (Jaccard=0.27) etoricoxib atopic_dermatitis GAP_HIGH 0.1081 0.2727272727272727 ritodrine High-priority: Binding assay etoricoxib→?; validate in atopic_dermatitis cell model. Expected: similar to ritodrine (Jaccard=0.27) chlordiazepoxide urinary_bladder_cancer GAP_HIGH 0.1081 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) nateglinide nephrolithiasis GAP_HIGH 0.1081 0.2631578947368421 polythiazide High-priority: Binding assay nateglinide→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.26) nateglinide refractive_error GAP_HIGH 0.1081 0.2631578947368421 polythiazide High-priority: Binding assay nateglinide→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.26) atomoxetine germ_cell_cancer GAP_HIGH 0.1081 0.25 tamoxifen High-priority: Binding assay atomoxetine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) azelastine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1081 0.22727272727272727 azatadine High-priority: Binding assay azelastine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.23) ketoprofen osteoarthritis GAP_HIGH 0.1081 0.2222222222222222 ketorolac High-priority: Binding assay ketoprofen→?; validate in osteoarthritis cell model. Expected: similar to ketorolac (Jaccard=0.22) estradiol_valeratedienogest narcolepsy GAP_HIGH 0.1081 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in narcolepsy cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) sulfapyridine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1081 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to droxidopa (Jaccard=0.17) aprindine type_1_diabetes_mellitus GAP_HIGH 0.1081 0.16666666666666666 cyclopentolate High-priority: Binding assay aprindine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.17) pamidronate obesity GAP_HIGH 0.1081 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in obesity cell model. Expected: similar to phenelzine (Jaccard=0.17) phentermine hepatitis_b GAP_HIGH 0.1081 0.16666666666666666 nateglinide High-priority: Binding assay phentermine→?; validate in hepatitis_b cell model. Expected: similar to nateglinide (Jaccard=0.17) trilostane endogenous_depression GAP_LOW 0.1081 0.14285714285714285 bifonazole Low-priority: Computational docking trilostane vs endogenous_depression targets. Cross-check trilostane pharmacophore against endogenous_depression pathway. drostanolone gilles_de_la_tourette_syndrome GAP_LOW 0.1081 0.13333333333333333 loperamide Low-priority: Computational docking drostanolone vs gilles_de_la_tourette_syndrome targets. Cross-check drostanolone pharmacophore against gilles_de_la_tourette_syndrome pathway. pamidronate glaucoma GAP_LOW 0.1081 0.13333333333333333 polythiazide Low-priority: Computational docking pamidronate vs glaucoma targets. Cross-check pamidronate pharmacophore against glaucoma pathway. ethotoin sclerosing_cholangitis GAP_LOW 0.1081 0.125 chlorcyclizine Low-priority: Computational docking ethotoin vs sclerosing_cholangitis targets. Cross-check ethotoin pharmacophore against sclerosing_cholangitis pathway. olanzapine germ_cell_cancer GAP_LOW 0.1081 0.125 alendronate Low-priority: Computational docking olanzapine vs germ_cell_cancer targets. Cross-check olanzapine pharmacophore against germ_cell_cancer pathway. telmisartan alzheimers_disease GAP_LOW 0.1081 0.125 desipramine Low-priority: Computational docking telmisartan vs alzheimers_disease targets. Cross-check telmisartan pharmacophore against alzheimers_disease pathway. telmisartan liver_cancer GAP_LOW 0.1081 0.125 desipramine Low-priority: Computational docking telmisartan vs liver_cancer targets. Cross-check telmisartan pharmacophore against liver_cancer pathway. telmisartan parkinsons_disease GAP_LOW 0.1081 0.125 desipramine Low-priority: Computational docking telmisartan vs parkinsons_disease targets. Cross-check telmisartan pharmacophore against parkinsons_disease pathway. mepyramine refractive_error GAP_LOW 0.1081 0.11764705882352941 sotalol Low-priority: Computational docking mepyramine vs refractive_error targets. Cross-check mepyramine pharmacophore against refractive_error pathway. olanzapine celiac_disease GAP_LOW 0.1081 0.11538461538461539 chlorcyclizine Low-priority: Computational docking olanzapine vs celiac_disease targets. Cross-check olanzapine pharmacophore against celiac_disease pathway. dihydrotachysterol migraine GAP_LOW 0.1081 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs migraine targets. Cross-check dihydrotachysterol pharmacophore against migraine pathway. dihydrotachysterol ovarian_cancer GAP_LOW 0.1081 0.1111111111111111 pimozide Low-priority: Computational docking dihydrotachysterol vs ovarian_cancer targets. Cross-check dihydrotachysterol pharmacophore against ovarian_cancer pathway. desmopressin obesity GAP_LOW 0.1081 0.1 clopidogrel Low-priority: Computational docking desmopressin vs obesity targets. Cross-check desmopressin pharmacophore against obesity pathway. sulfanilamide meningioma GAP_LOW 0.1081 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs meningioma targets. Cross-check sulfanilamide pharmacophore against meningioma pathway. indomethacin creutzfeldt-jakob_disease GAP_LOW 0.1081 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs creutzfeldt-jakob_disease targets. Cross-check indomethacin pharmacophore against creutzfeldt-jakob_disease pathway. indomethacin sclerosing_cholangitis GAP_LOW 0.1081 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs sclerosing_cholangitis targets. Cross-check indomethacin pharmacophore against sclerosing_cholangitis pathway. hydrochlorothiazide lung_cancer GAP_LOW 0.1081 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs lung_cancer targets. Cross-check hydrochlorothiazide pharmacophore against lung_cancer pathway. calcitriol malignant_mesothelioma GAP_LOW 0.1081 0.08333333333333333 fulvestrant Low-priority: Computational docking calcitriol vs malignant_mesothelioma targets. Cross-check calcitriol pharmacophore against malignant_mesothelioma pathway. desmopressin duodenum_cancer GAP_LOW 0.1081 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs duodenum_cancer targets. Cross-check desmopressin pharmacophore against duodenum_cancer pathway. desmopressin gallbladder_cancer GAP_LOW 0.1081 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs gallbladder_cancer targets. Cross-check desmopressin pharmacophore against gallbladder_cancer pathway. temazepam leprosy GAP_LOW 0.1081 0.0625 phensuximide Low-priority: Computational docking temazepam vs leprosy targets. Cross-check temazepam pharmacophore against leprosy pathway. terlipressin ocular_cancer GAP_LOW 0.1081 0.058823529411764705 cortisone_acetate Low-priority: Computational docking terlipressin vs ocular_cancer targets. Cross-check terlipressin pharmacophore against ocular_cancer pathway. l-citrulline liver_cancer GAP_LOW 0.1081 0.05357142857142857 dexamethasone Low-priority: Computational docking l-citrulline vs liver_cancer targets. Cross-check l-citrulline pharmacophore against liver_cancer pathway. loratadine prostate_cancer GAP_LOW 0.1081 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs prostate_cancer targets. Cross-check loratadine pharmacophore against prostate_cancer pathway. l-cysteine penile_cancer GAP_LOW 0.1081 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs penile_cancer targets. Cross-check l-cysteine pharmacophore against penile_cancer pathway. conivaptan crohns_disease GAP_LOW 0.1081 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs crohns_disease targets. Cross-check conivaptan pharmacophore against crohns_disease pathway. promethazine hematologic_cancer GAP_HIGH 0.108 0.3076923076923077 isopropamide High-priority: Binding assay promethazine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.31) l-tyrosine mediastinal_cancer GAP_HIGH 0.108 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in mediastinal_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) brompheniramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.108 0.2222222222222222 atomoxetine High-priority: Binding assay brompheniramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.22) acetophenazine refractive_error GAP_HIGH 0.108 0.2 metaraminol High-priority: Binding assay acetophenazine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) clodronate metabolic_syndrome_x GAP_HIGH 0.108 0.2 metolazone High-priority: Binding assay clodronate→?; validate in metabolic_syndrome_x cell model. Expected: similar to metolazone (Jaccard=0.20) lisinopril idiopathic_pulmonary_fibrosis GAP_HIGH 0.108 0.17647058823529413 zafirlukast High-priority: Binding assay lisinopril→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to zafirlukast (Jaccard=0.18) s-adenosylmethionine mediastinal_cancer GAP_HIGH 0.108 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in mediastinal_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) tolterodine refractive_error GAP_HIGH 0.108 0.16666666666666666 penbutolol High-priority: Binding assay tolterodine→?; validate in refractive_error cell model. Expected: similar to penbutolol (Jaccard=0.17) l-glutamine ocular_cancer GAP_HIGH 0.108 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in ocular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.15) medroxyprogesterone_acetate creutzfeldt-jakob_disease GAP_LOW 0.108 0.14285714285714285 raloxifene Low-priority: Computational docking medroxyprogesterone_acetate vs creutzfeldt-jakob_disease targets. Cross-check medroxyprogesterone_acetate pharmacophore against creutzfeldt-jakob_disease pathway. sulfamethizole meningioma GAP_LOW 0.108 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs meningioma targets. Cross-check sulfamethizole pharmacophore against meningioma pathway. ethotoin salivary_gland_cancer GAP_LOW 0.108 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs salivary_gland_cancer targets. Cross-check ethotoin pharmacophore against salivary_gland_cancer pathway. telmisartan amyotrophic_lateral_sclerosis GAP_LOW 0.108 0.125 desipramine Low-priority: Computational docking telmisartan vs amyotrophic_lateral_sclerosis targets. Cross-check telmisartan pharmacophore against amyotrophic_lateral_sclerosis pathway. testosterone gilles_de_la_tourette_syndrome GAP_LOW 0.108 0.125 loperamide Low-priority: Computational docking testosterone vs gilles_de_la_tourette_syndrome targets. Cross-check testosterone pharmacophore against gilles_de_la_tourette_syndrome pathway. adinazolam pharynx_cancer GAP_LOW 0.108 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs pharynx_cancer targets. Cross-check adinazolam pharmacophore against pharynx_cancer pathway. zidovudine larynx_cancer GAP_LOW 0.108 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs larynx_cancer targets. Cross-check zidovudine pharmacophore against larynx_cancer pathway. indomethacin penile_cancer GAP_LOW 0.108 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs penile_cancer targets. Cross-check indomethacin pharmacophore against penile_cancer pathway. isoetarine malignant_glioma GAP_LOW 0.108 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs malignant_glioma targets. Cross-check isoetarine pharmacophore against malignant_glioma pathway. tretinoin alopecia_areata GAP_LOW 0.108 0.07692307692307693 dexamethasone Low-priority: Computational docking tretinoin vs alopecia_areata targets. Cross-check tretinoin pharmacophore against alopecia_areata pathway. danazol lymphatic_system_cancer GAP_LOW 0.108 0.07142857142857142 glucosamine Low-priority: Computational docking danazol vs lymphatic_system_cancer targets. Cross-check danazol pharmacophore against lymphatic_system_cancer pathway. dyphylline breast_cancer GAP_LOW 0.108 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs breast_cancer targets. Cross-check dyphylline pharmacophore against breast_cancer pathway. dyphylline conduct_disorder GAP_LOW 0.108 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs conduct_disorder targets. Cross-check dyphylline pharmacophore against conduct_disorder pathway. dyphylline panic_disorder GAP_LOW 0.108 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs panic_disorder targets. Cross-check dyphylline pharmacophore against panic_disorder pathway. dyphylline schizophrenia GAP_LOW 0.108 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs schizophrenia targets. Cross-check dyphylline pharmacophore against schizophrenia pathway. tolbutamide malignant_mesothelioma GAP_LOW 0.108 0.0625 melphalan Low-priority: Computational docking tolbutamide vs malignant_mesothelioma targets. Cross-check tolbutamide pharmacophore against malignant_mesothelioma pathway. afatinib alcohol_dependence GAP_LOW 0.108 0.058823529411764705 naloxone Low-priority: Computational docking afatinib vs alcohol_dependence targets. Cross-check afatinib pharmacophore against alcohol_dependence pathway. vapreotide pharynx_cancer GAP_LOW 0.108 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs pharynx_cancer targets. Cross-check vapreotide pharmacophore against pharynx_cancer pathway. vidarabine dilated_cardiomyopathy GAP_LOW 0.108 0.05 milrinone Low-priority: Computational docking vidarabine vs dilated_cardiomyopathy targets. Cross-check vidarabine pharmacophore against dilated_cardiomyopathy pathway. l-cysteine lung_cancer GAP_LOW 0.108 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs lung_cancer targets. Cross-check l-cysteine pharmacophore against lung_cancer pathway. l-cysteine rectum_cancer GAP_LOW 0.108 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs rectum_cancer targets. Cross-check l-cysteine pharmacophore against rectum_cancer pathway. l-asparagine urinary_bladder_cancer GAP_LOW 0.108 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs urinary_bladder_cancer targets. Cross-check l-asparagine pharmacophore against urinary_bladder_cancer pathway. levomilnacipran alcohol_dependence GAP_LOW 0.108 0.024390243902439025 mazindol Low-priority: Computational docking levomilnacipran vs alcohol_dependence targets. Cross-check levomilnacipran pharmacophore against alcohol_dependence pathway. benzocaine dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking benzocaine vs dilated_cardiomyopathy targets. Cross-check benzocaine pharmacophore against dilated_cardiomyopathy pathway. clonazepam dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking clonazepam vs dilated_cardiomyopathy targets. Cross-check clonazepam pharmacophore against dilated_cardiomyopathy pathway. clotiazepam dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking clotiazepam vs dilated_cardiomyopathy targets. Cross-check clotiazepam pharmacophore against dilated_cardiomyopathy pathway. dobutamine dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking dobutamine vs dilated_cardiomyopathy targets. Cross-check dobutamine pharmacophore against dilated_cardiomyopathy pathway. mannitol pancreatitis GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking mannitol vs pancreatitis targets. Cross-check mannitol pharmacophore against pancreatitis pathway. mephentermine dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking mephentermine vs dilated_cardiomyopathy targets. Cross-check mephentermine pharmacophore against dilated_cardiomyopathy pathway. nelarabine dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking nelarabine vs dilated_cardiomyopathy targets. Cross-check nelarabine pharmacophore against dilated_cardiomyopathy pathway. proparacaine dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking proparacaine vs dilated_cardiomyopathy targets. Cross-check proparacaine pharmacophore against dilated_cardiomyopathy pathway. tenofovir dilated_cardiomyopathy GAP_LOW 0.108 0.0 hydrocortisone Low-priority: Computational docking tenofovir vs dilated_cardiomyopathy targets. Cross-check tenofovir pharmacophore against dilated_cardiomyopathy pathway. l-tyrosine thymus_cancer GAP_HIGH 0.1079 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in thymus_cancer cell model. Expected: similar to procarbazine (Jaccard=0.27) norethindrone pancreatitis GAP_HIGH 0.1079 0.2608695652173913 hydrocortisone High-priority: Binding assay norethindrone→?; validate in pancreatitis cell model. Expected: similar to hydrocortisone (Jaccard=0.26) triflupromazine crohns_disease GAP_HIGH 0.1079 0.25 epinastine High-priority: Binding assay triflupromazine→?; validate in crohns_disease cell model. Expected: similar to epinastine (Jaccard=0.25) l-tyrosine atherosclerosis GAP_HIGH 0.1079 0.20454545454545456 flurbiprofen High-priority: Binding assay l-tyrosine→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.20) vinblastine ankylosing_spondylitis GAP_HIGH 0.1079 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in ankylosing_spondylitis cell model. Expected: similar to epinastine (Jaccard=0.20) s-adenosylmethionine thymus_cancer GAP_HIGH 0.1079 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in thymus_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) pimozide urinary_bladder_cancer GAP_HIGH 0.1079 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in urinary_bladder_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) floctafenine head_and_neck_cancer GAP_HIGH 0.1079 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in head_and_neck_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine malignant_glioma GAP_HIGH 0.1079 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in malignant_glioma cell model. Expected: similar to fluorometholone (Jaccard=0.15) chlorphenesin epilepsy_syndrome GAP_LOW 0.1079 0.14285714285714285 talbutal Low-priority: Computational docking chlorphenesin vs epilepsy_syndrome targets. Cross-check chlorphenesin pharmacophore against epilepsy_syndrome pathway. furosemide skin_cancer GAP_LOW 0.1079 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs skin_cancer targets. Cross-check furosemide pharmacophore against skin_cancer pathway. adenine membranous_glomerulonephritis GAP_LOW 0.1079 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs membranous_glomerulonephritis targets. Cross-check adenine pharmacophore against membranous_glomerulonephritis pathway. chlorphenesin idiopathic_pulmonary_fibrosis GAP_LOW 0.1079 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs idiopathic_pulmonary_fibrosis targets. Cross-check chlorphenesin pharmacophore against idiopathic_pulmonary_fibrosis pathway. cyproterone_acetate glaucoma GAP_LOW 0.1079 0.125 dinoprost_tromethamine Low-priority: Computational docking cyproterone_acetate vs glaucoma targets. Cross-check cyproterone_acetate pharmacophore against glaucoma pathway. nandrolone_phenpropionate schizophrenia GAP_LOW 0.1079 0.125 hydromorphone Low-priority: Computational docking nandrolone_phenpropionate vs schizophrenia targets. Cross-check nandrolone_phenpropionate pharmacophore against schizophrenia pathway. paricalcitol thyroid_cancer GAP_LOW 0.1079 0.1 pasireotide Low-priority: Computational docking paricalcitol vs thyroid_cancer targets. Cross-check paricalcitol pharmacophore against thyroid_cancer pathway. vitamin_a obesity GAP_LOW 0.1079 0.1 carvedilol Low-priority: Computational docking vitamin_a vs obesity targets. Cross-check vitamin_a pharmacophore against obesity pathway. bethanidine alcohol_dependence GAP_LOW 0.1079 0.09615384615384616 mazindol Low-priority: Computational docking bethanidine vs alcohol_dependence targets. Cross-check bethanidine pharmacophore against alcohol_dependence pathway. chlorpropamide creutzfeldt-jakob_disease GAP_LOW 0.1079 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs creutzfeldt-jakob_disease targets. Cross-check chlorpropamide pharmacophore against creutzfeldt-jakob_disease pathway. desogestrel glaucoma GAP_LOW 0.1079 0.09090909090909091 choline Low-priority: Computational docking desogestrel vs glaucoma targets. Cross-check desogestrel pharmacophore against glaucoma pathway. proparacaine primary_biliary_cirrhosis GAP_LOW 0.1079 0.09090909090909091 cyclandelate Low-priority: Computational docking proparacaine vs primary_biliary_cirrhosis targets. Cross-check proparacaine pharmacophore against primary_biliary_cirrhosis pathway. norelgestromin focal_segmental_glomerulosclerosis GAP_LOW 0.1079 0.08333333333333333 calcitriol Low-priority: Computational docking norelgestromin vs focal_segmental_glomerulosclerosis targets. Cross-check norelgestromin pharmacophore against focal_segmental_glomerulosclerosis pathway. isoetarine kidney_cancer GAP_LOW 0.1079 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs kidney_cancer targets. Cross-check isoetarine pharmacophore against kidney_cancer pathway. dyphylline allergic_rhinitis GAP_LOW 0.1079 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs allergic_rhinitis targets. Cross-check dyphylline pharmacophore against allergic_rhinitis pathway. dyphylline bipolar_disorder GAP_LOW 0.1079 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs bipolar_disorder targets. Cross-check dyphylline pharmacophore against bipolar_disorder pathway. dyphylline hypertension GAP_LOW 0.1079 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs hypertension targets. Cross-check dyphylline pharmacophore against hypertension pathway. dyphylline pancreatitis GAP_LOW 0.1079 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs pancreatitis targets. Cross-check dyphylline pharmacophore against pancreatitis pathway. dyphylline salivary_gland_cancer GAP_LOW 0.1079 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs salivary_gland_cancer targets. Cross-check dyphylline pharmacophore against salivary_gland_cancer pathway. nelarabine azoospermia GAP_LOW 0.1079 0.047619047619047616 procaine Low-priority: Computational docking nelarabine vs azoospermia targets. Cross-check nelarabine pharmacophore against azoospermia pathway. l-cysteine liver_cancer GAP_LOW 0.1079 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs liver_cancer targets. Cross-check l-cysteine pharmacophore against liver_cancer pathway. l-citrulline creutzfeldt-jakob_disease GAP_LOW 0.1079 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs creutzfeldt-jakob_disease targets. Cross-check l-citrulline pharmacophore against creutzfeldt-jakob_disease pathway. l-cysteine malignant_mesothelioma GAP_LOW 0.1079 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs malignant_mesothelioma targets. Cross-check l-cysteine pharmacophore against malignant_mesothelioma pathway. l-citrulline membranous_glomerulonephritis GAP_LOW 0.1079 0.018867924528301886 thioridazine Low-priority: Computational docking l-citrulline vs membranous_glomerulonephritis targets. Cross-check l-citrulline pharmacophore against membranous_glomerulonephritis pathway. carbidopa pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking carbidopa vs pagets_disease_of_bone targets. Cross-check carbidopa pharmacophore against pagets_disease_of_bone pathway. dimetacrine pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking dimetacrine vs pagets_disease_of_bone targets. Cross-check dimetacrine pharmacophore against pagets_disease_of_bone pathway. fenoprofen pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking fenoprofen vs pagets_disease_of_bone targets. Cross-check fenoprofen pharmacophore against pagets_disease_of_bone pathway. l-tyrosine pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking l-tyrosine vs pagets_disease_of_bone targets. Cross-check l-tyrosine pharmacophore against pagets_disease_of_bone pathway. linaclotide glaucoma GAP_LOW 0.1079 0.0 pirbuterol Low-priority: Computational docking linaclotide vs glaucoma targets. Cross-check linaclotide pharmacophore against glaucoma pathway. loratadine atherosclerosis GAP_LOW 0.1079 0.0 fenoprofen Low-priority: Computational docking loratadine vs atherosclerosis targets. Cross-check loratadine pharmacophore against atherosclerosis pathway. phenacemide pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking phenacemide vs pagets_disease_of_bone targets. Cross-check phenacemide pharmacophore against pagets_disease_of_bone pathway. salicylate-sodium pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking salicylate-sodium vs pagets_disease_of_bone targets. Cross-check salicylate-sodium pharmacophore against pagets_disease_of_bone pathway. tamoxifen pagets_disease_of_bone GAP_LOW 0.1079 0.0 ibandronate Low-priority: Computational docking tamoxifen vs pagets_disease_of_bone targets. Cross-check tamoxifen pharmacophore against pagets_disease_of_bone pathway. tauroursodeoxycholic_acid salivary_gland_cancer GAP_LOW 0.1079 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs salivary_gland_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against salivary_gland_cancer pathway. l-tyrosine sclerosing_cholangitis GAP_HIGH 0.1078 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.28) l-tyrosine esophageal_cancer GAP_HIGH 0.1078 0.23333333333333334 melphalan High-priority: Binding assay l-tyrosine→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.23) clozapine penile_cancer GAP_HIGH 0.1078 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) acetophenazine celiac_disease GAP_HIGH 0.1078 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in celiac_disease cell model. Expected: similar to atropine (Jaccard=0.20) clobazam sarcoma GAP_HIGH 0.1078 0.2 phenytoin High-priority: Binding assay clobazam→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.20) oxybuprocaine mediastinal_cancer GAP_HIGH 0.1078 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in mediastinal_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) brompheniramine malaria GAP_HIGH 0.1078 0.16666666666666666 warfarin High-priority: Binding assay brompheniramine→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.17) loteprednol glaucoma GAP_HIGH 0.1078 0.16666666666666666 methacholine High-priority: Binding assay loteprednol→?; validate in glaucoma cell model. Expected: similar to methacholine (Jaccard=0.17) glucosamine coronary_artery_disease GAP_HIGH 0.1078 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in coronary_artery_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) furosemide vulva_cancer GAP_LOW 0.1078 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs vulva_cancer targets. Cross-check furosemide pharmacophore against vulva_cancer pathway. diethylstilbestrol alcohol_dependence GAP_LOW 0.1078 0.11764705882352941 levorphanol Low-priority: Computational docking diethylstilbestrol vs alcohol_dependence targets. Cross-check diethylstilbestrol pharmacophore against alcohol_dependence pathway. azacitidine refractive_error GAP_LOW 0.1078 0.08333333333333333 l-carnitine Low-priority: Computational docking azacitidine vs refractive_error targets. Cross-check azacitidine pharmacophore against refractive_error pathway. isoetarine nephrolithiasis GAP_LOW 0.1078 0.07692307692307693 estrone Low-priority: Computational docking isoetarine vs nephrolithiasis targets. Cross-check isoetarine pharmacophore against nephrolithiasis pathway. nabumetone vascular_cancer GAP_LOW 0.1078 0.07692307692307693 cyproterone_acetate Low-priority: Computational docking nabumetone vs vascular_cancer targets. Cross-check nabumetone pharmacophore against vascular_cancer pathway. dyphylline endogenous_depression GAP_LOW 0.1078 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs endogenous_depression targets. Cross-check dyphylline pharmacophore against endogenous_depression pathway. ceruletide penile_cancer GAP_LOW 0.1078 0.0625 prednisone Low-priority: Computational docking ceruletide vs penile_cancer targets. Cross-check ceruletide pharmacophore against penile_cancer pathway. drostanolone bone_cancer GAP_LOW 0.1078 0.04 tetrahydrofolic_acid Low-priority: Computational docking drostanolone vs bone_cancer targets. Cross-check drostanolone pharmacophore against bone_cancer pathway. mannitol muscle_cancer GAP_LOW 0.1078 0.0 hydrocortisone Low-priority: Computational docking mannitol vs muscle_cancer targets. Cross-check mannitol pharmacophore against muscle_cancer pathway. thiothixene thyroid_cancer GAP_HIGH 0.1077 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in thyroid_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.33) levorphanol parkinsons_disease GAP_HIGH 0.1077 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in parkinsons_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) prochlorperazine refractive_error GAP_HIGH 0.1077 0.2 metaraminol High-priority: Binding assay prochlorperazine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) vinblastine epilepsy_syndrome GAP_HIGH 0.1077 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in epilepsy_syndrome cell model. Expected: similar to epinastine (Jaccard=0.20) lisinopril duodenum_cancer GAP_HIGH 0.1077 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril gallbladder_cancer GAP_HIGH 0.1077 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) floctafenine hematologic_cancer GAP_HIGH 0.1077 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in hematologic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) oxybuprocaine thymus_cancer GAP_HIGH 0.1077 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in thymus_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) phentermine malaria GAP_HIGH 0.1077 0.15384615384615385 tranylcypromine High-priority: Binding assay phentermine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.15) chloroprocaine alopecia_areata GAP_LOW 0.1077 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs alopecia_areata targets. Cross-check chloroprocaine pharmacophore against alopecia_areata pathway. ethotoin ocular_cancer GAP_LOW 0.1077 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs ocular_cancer targets. Cross-check ethotoin pharmacophore against ocular_cancer pathway. tretinoin osteoarthritis GAP_LOW 0.1077 0.125 histamine_phosphate Low-priority: Computational docking tretinoin vs osteoarthritis targets. Cross-check tretinoin pharmacophore against osteoarthritis pathway. alitretinoin prostate_cancer GAP_LOW 0.1077 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs prostate_cancer targets. Cross-check alitretinoin pharmacophore against prostate_cancer pathway. adinazolam thyroid_cancer GAP_LOW 0.1077 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs thyroid_cancer targets. Cross-check adinazolam pharmacophore against thyroid_cancer pathway. ergocalciferol epilepsy_syndrome GAP_LOW 0.1077 0.1 ketorolac Low-priority: Computational docking ergocalciferol vs epilepsy_syndrome targets. Cross-check ergocalciferol pharmacophore against epilepsy_syndrome pathway. ospemifene refractive_error GAP_LOW 0.1077 0.09090909090909091 l-dopa Low-priority: Computational docking ospemifene vs refractive_error targets. Cross-check ospemifene pharmacophore against refractive_error pathway. bezafibrate leprosy GAP_LOW 0.1077 0.07894736842105263 sulfapyridine Low-priority: Computational docking bezafibrate vs leprosy targets. Cross-check bezafibrate pharmacophore against leprosy pathway. dyphylline polycystic_ovary_syndrome GAP_LOW 0.1077 0.07692307692307693 pravastatin Low-priority: Computational docking dyphylline vs polycystic_ovary_syndrome targets. Cross-check dyphylline pharmacophore against polycystic_ovary_syndrome pathway. dyphylline type_2_diabetes_mellitus GAP_LOW 0.1077 0.07692307692307693 pravastatin Low-priority: Computational docking dyphylline vs type_2_diabetes_mellitus targets. Cross-check dyphylline pharmacophore against type_2_diabetes_mellitus pathway. indomethacin malignant_mesothelioma GAP_LOW 0.1077 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs malignant_mesothelioma targets. Cross-check indomethacin pharmacophore against malignant_mesothelioma pathway. dyphylline osteoporosis GAP_LOW 0.1077 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs osteoporosis targets. Cross-check dyphylline pharmacophore against osteoporosis pathway. dyphylline muscle_cancer GAP_LOW 0.1077 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs muscle_cancer targets. Cross-check dyphylline pharmacophore against muscle_cancer pathway. terlipressin penile_cancer GAP_LOW 0.1077 0.043478260869565216 prednisone Low-priority: Computational docking terlipressin vs penile_cancer targets. Cross-check terlipressin pharmacophore against penile_cancer pathway. conivaptan idiopathic_pulmonary_fibrosis GAP_LOW 0.1077 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs idiopathic_pulmonary_fibrosis targets. Cross-check conivaptan pharmacophore against idiopathic_pulmonary_fibrosis pathway. conivaptan prostate_cancer GAP_LOW 0.1077 0.0 phenylbutazone Low-priority: Computational docking conivaptan vs prostate_cancer targets. Cross-check conivaptan pharmacophore against prostate_cancer pathway. mannitol lung_cancer GAP_LOW 0.1077 0.0 hydrocortisone Low-priority: Computational docking mannitol vs lung_cancer targets. Cross-check mannitol pharmacophore against lung_cancer pathway. mannitol rectum_cancer GAP_LOW 0.1077 0.0 hydrocortisone Low-priority: Computational docking mannitol vs rectum_cancer targets. Cross-check mannitol pharmacophore against rectum_cancer pathway. pravastatin lung_cancer GAP_LOW 0.1077 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs lung_cancer targets. Cross-check pravastatin pharmacophore against lung_cancer pathway. pravastatin rectum_cancer GAP_LOW 0.1077 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs rectum_cancer targets. Cross-check pravastatin pharmacophore against rectum_cancer pathway. progesterone pancreatitis GAP_HIGH 0.1076 0.32 fluoxymesterone High-priority: Binding assay progesterone→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.32) clotrimazole skin_cancer GAP_HIGH 0.1076 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in skin_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) propiomazine sarcoma GAP_HIGH 0.1076 0.25 tamoxifen High-priority: Binding assay propiomazine→?; validate in sarcoma cell model. Expected: similar to tamoxifen (Jaccard=0.25) desipramine chronic_kidney_failure GAP_HIGH 0.1076 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in chronic_kidney_failure cell model. Expected: similar to trimipramine (Jaccard=0.22) levorphanol amyotrophic_lateral_sclerosis GAP_HIGH 0.1076 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) levorphanol autistic_disorder GAP_HIGH 0.1076 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in autistic_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) clodronate obesity GAP_HIGH 0.1076 0.2 metolazone High-priority: Binding assay clodronate→?; validate in obesity cell model. Expected: similar to metolazone (Jaccard=0.20) pamidronate restless_legs_syndrome GAP_HIGH 0.1076 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in restless_legs_syndrome cell model. Expected: similar to phenelzine (Jaccard=0.17) alvimopan focal_segmental_glomerulosclerosis GAP_LOW 0.1076 0.14285714285714285 mefenamic_acid Low-priority: Computational docking alvimopan vs focal_segmental_glomerulosclerosis targets. Cross-check alvimopan pharmacophore against focal_segmental_glomerulosclerosis pathway. adenine germ_cell_cancer GAP_LOW 0.1076 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs germ_cell_cancer targets. Cross-check adenine pharmacophore against germ_cell_cancer pathway. chlorphenesin gout GAP_LOW 0.1076 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs gout targets. Cross-check chlorphenesin pharmacophore against gout pathway. dasatinib atopic_dermatitis GAP_LOW 0.1076 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs atopic_dermatitis targets. Cross-check dasatinib pharmacophore against atopic_dermatitis pathway. dihydrotachysterol osteoarthritis GAP_LOW 0.1076 0.1111111111111111 zolpidem Low-priority: Computational docking dihydrotachysterol vs osteoarthritis targets. Cross-check dihydrotachysterol pharmacophore against osteoarthritis pathway. practolol penile_cancer GAP_LOW 0.1076 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs penile_cancer targets. Cross-check practolol pharmacophore against penile_cancer pathway. azatadine dilated_cardiomyopathy GAP_LOW 0.1076 0.1 milrinone Low-priority: Computational docking azatadine vs dilated_cardiomyopathy targets. Cross-check azatadine pharmacophore against dilated_cardiomyopathy pathway. paricalcitol pancreatitis GAP_LOW 0.1076 0.1 pasireotide Low-priority: Computational docking paricalcitol vs pancreatitis targets. Cross-check paricalcitol pharmacophore against pancreatitis pathway. telmisartan penile_cancer GAP_LOW 0.1076 0.1 procaine Low-priority: Computational docking telmisartan vs penile_cancer targets. Cross-check telmisartan pharmacophore against penile_cancer pathway. nandrolone_phenpropionate gilles_de_la_tourette_syndrome GAP_LOW 0.1076 0.08333333333333333 carbinoxamine Low-priority: Computational docking nandrolone_phenpropionate vs gilles_de_la_tourette_syndrome targets. Cross-check nandrolone_phenpropionate pharmacophore against gilles_de_la_tourette_syndrome pathway. ponatinib membranous_glomerulonephritis GAP_LOW 0.1076 0.07142857142857142 tamsulosin Low-priority: Computational docking ponatinib vs membranous_glomerulonephritis targets. Cross-check ponatinib pharmacophore against membranous_glomerulonephritis pathway. cytarabine coronary_artery_disease GAP_LOW 0.1076 0.06666666666666667 chloroprocaine Low-priority: Computational docking cytarabine vs coronary_artery_disease targets. Cross-check cytarabine pharmacophore against coronary_artery_disease pathway. dyphylline ocular_cancer GAP_LOW 0.1076 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs ocular_cancer targets. Cross-check dyphylline pharmacophore against ocular_cancer pathway. dyphylline rectum_cancer GAP_LOW 0.1076 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs rectum_cancer targets. Cross-check dyphylline pharmacophore against rectum_cancer pathway. lapatinib dilated_cardiomyopathy GAP_LOW 0.1076 0.06666666666666667 drospirenone Low-priority: Computational docking lapatinib vs dilated_cardiomyopathy targets. Cross-check lapatinib pharmacophore against dilated_cardiomyopathy pathway. l-citrulline atopic_dermatitis GAP_LOW 0.1076 0.05454545454545454 epinephrine Low-priority: Computational docking l-citrulline vs atopic_dermatitis targets. Cross-check l-citrulline pharmacophore against atopic_dermatitis pathway. l-cysteine metabolic_syndrome_x GAP_LOW 0.1076 0.05 l-lysine Low-priority: Computational docking l-cysteine vs metabolic_syndrome_x targets. Cross-check l-cysteine pharmacophore against metabolic_syndrome_x pathway. l-cysteine atopic_dermatitis GAP_LOW 0.1076 0.046511627906976744 remifentanil Low-priority: Computational docking l-cysteine vs atopic_dermatitis targets. Cross-check l-cysteine pharmacophore against atopic_dermatitis pathway. loratadine narcolepsy GAP_LOW 0.1076 0.045454545454545456 bevantolol Low-priority: Computational docking loratadine vs narcolepsy targets. Cross-check loratadine pharmacophore against narcolepsy pathway. desmopressin esophageal_cancer GAP_LOW 0.1076 0.043478260869565216 prednisone Low-priority: Computational docking desmopressin vs esophageal_cancer targets. Cross-check desmopressin pharmacophore against esophageal_cancer pathway. l-methionine meningioma GAP_LOW 0.1076 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs meningioma targets. Cross-check l-methionine pharmacophore against meningioma pathway. acetic_acid alopecia_areata GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs alopecia_areata targets. Cross-check acetic_acid pharmacophore against alopecia_areata pathway. benzthiazide alopecia_areata GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs alopecia_areata targets. Cross-check benzthiazide pharmacophore against alopecia_areata pathway. drospirenone pagets_disease_of_bone GAP_LOW 0.1076 0.0 ibandronate Low-priority: Computational docking drospirenone vs pagets_disease_of_bone targets. Cross-check drospirenone pharmacophore against pagets_disease_of_bone pathway. dydrogesterone pagets_disease_of_bone GAP_LOW 0.1076 0.0 ibandronate Low-priority: Computational docking dydrogesterone vs pagets_disease_of_bone targets. Cross-check dydrogesterone pharmacophore against pagets_disease_of_bone pathway. ergocalciferol alcohol_dependence GAP_LOW 0.1076 0.0 midazolam Low-priority: Computational docking ergocalciferol vs alcohol_dependence targets. Cross-check ergocalciferol pharmacophore against alcohol_dependence pathway. hydrocortisone pagets_disease_of_bone GAP_LOW 0.1076 0.0 ibandronate Low-priority: Computational docking hydrocortisone vs pagets_disease_of_bone targets. Cross-check hydrocortisone pharmacophore against pagets_disease_of_bone pathway. l-carnitine brain_cancer GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking l-carnitine vs brain_cancer targets. Cross-check l-carnitine pharmacophore against brain_cancer pathway. l-carnitine intracranial_aneurysm GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking l-carnitine vs intracranial_aneurysm targets. Cross-check l-carnitine pharmacophore against intracranial_aneurysm pathway. linaclotide brain_cancer GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs brain_cancer targets. Cross-check linaclotide pharmacophore against brain_cancer pathway. linaclotide intracranial_aneurysm GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs intracranial_aneurysm targets. Cross-check linaclotide pharmacophore against intracranial_aneurysm pathway. methocarbamol alopecia_areata GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking methocarbamol vs alopecia_areata targets. Cross-check methocarbamol pharmacophore against alopecia_areata pathway. methyldopa pagets_disease_of_bone GAP_LOW 0.1076 0.0 ibandronate Low-priority: Computational docking methyldopa vs pagets_disease_of_bone targets. Cross-check methyldopa pharmacophore against pagets_disease_of_bone pathway. quinacrine brain_cancer GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs brain_cancer targets. Cross-check quinacrine pharmacophore against brain_cancer pathway. quinacrine intracranial_aneurysm GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs intracranial_aneurysm targets. Cross-check quinacrine pharmacophore against intracranial_aneurysm pathway. streptozocin alopecia_areata GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs alopecia_areata targets. Cross-check streptozocin pharmacophore against alopecia_areata pathway. tauroursodeoxycholic_acid ocular_cancer GAP_LOW 0.1076 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs ocular_cancer targets. Cross-check tauroursodeoxycholic_acid pharmacophore against ocular_cancer pathway. telmisartan alcohol_dependence GAP_LOW 0.1076 0.0 midazolam Low-priority: Computational docking telmisartan vs alcohol_dependence targets. Cross-check telmisartan pharmacophore against alcohol_dependence pathway. testosterone_propionate pagets_disease_of_bone GAP_LOW 0.1076 0.0 ibandronate Low-priority: Computational docking testosterone_propionate vs pagets_disease_of_bone targets. Cross-check testosterone_propionate pharmacophore against pagets_disease_of_bone pathway. clotrimazole vaginal_cancer GAP_HIGH 0.1075 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in vaginal_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) clotrimazole vulva_cancer GAP_HIGH 0.1075 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.28) clozapine melanoma GAP_HIGH 0.1075 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.24) prochlorperazine celiac_disease GAP_HIGH 0.1075 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in celiac_disease cell model. Expected: similar to atropine (Jaccard=0.20) nitrazepam sarcoma GAP_HIGH 0.1075 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in sarcoma cell model. Expected: similar to practolol (Jaccard=0.18) pamidronate polycystic_ovary_syndrome GAP_HIGH 0.1075 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to phenelzine (Jaccard=0.17) pamidronate type_2_diabetes_mellitus GAP_HIGH 0.1075 0.16666666666666666 phenelzine High-priority: Binding assay pamidronate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to phenelzine (Jaccard=0.17) procaine gilles_de_la_tourette_syndrome GAP_HIGH 0.1075 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to modafinil (Jaccard=0.16) phenformin lung_cancer GAP_HIGH 0.1075 0.15384615384615385 l-dopa High-priority: Binding assay phenformin→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.15) phenformin rectum_cancer GAP_HIGH 0.1075 0.15384615384615385 l-dopa High-priority: Binding assay phenformin→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.15) procaine alopecia_areata GAP_HIGH 0.1075 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in alopecia_areata cell model. Expected: similar to drospirenone (Jaccard=0.15) enalapril ankylosing_spondylitis GAP_LOW 0.1075 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs ankylosing_spondylitis targets. Cross-check enalapril pharmacophore against ankylosing_spondylitis pathway. allylestrenol nicotine_dependence GAP_LOW 0.1075 0.125 levorphanol Low-priority: Computational docking allylestrenol vs nicotine_dependence targets. Cross-check allylestrenol pharmacophore against nicotine_dependence pathway. entecavir psoriasis GAP_LOW 0.1075 0.125 tetrahydrofolic_acid Low-priority: Computational docking entecavir vs psoriasis targets. Cross-check entecavir pharmacophore against psoriasis pathway. olanzapine penile_cancer GAP_LOW 0.1075 0.125 alendronate Low-priority: Computational docking olanzapine vs penile_cancer targets. Cross-check olanzapine pharmacophore against penile_cancer pathway. telmisartan asthma GAP_LOW 0.1075 0.125 desipramine Low-priority: Computational docking telmisartan vs asthma targets. Cross-check telmisartan pharmacophore against asthma pathway. telmisartan atopic_dermatitis GAP_LOW 0.1075 0.125 desipramine Low-priority: Computational docking telmisartan vs atopic_dermatitis targets. Cross-check telmisartan pharmacophore against atopic_dermatitis pathway. telmisartan breast_cancer GAP_LOW 0.1075 0.125 desipramine Low-priority: Computational docking telmisartan vs breast_cancer targets. Cross-check telmisartan pharmacophore against breast_cancer pathway. telmisartan colon_cancer GAP_LOW 0.1075 0.125 desipramine Low-priority: Computational docking telmisartan vs colon_cancer targets. Cross-check telmisartan pharmacophore against colon_cancer pathway. alitretinoin mediastinal_cancer GAP_LOW 0.1075 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs mediastinal_cancer targets. Cross-check alitretinoin pharmacophore against mediastinal_cancer pathway. alitretinoin primary_biliary_cirrhosis GAP_LOW 0.1075 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs primary_biliary_cirrhosis targets. Cross-check alitretinoin pharmacophore against primary_biliary_cirrhosis pathway. desmopressin polycystic_ovary_syndrome GAP_LOW 0.1075 0.1 clopidogrel Low-priority: Computational docking desmopressin vs polycystic_ovary_syndrome targets. Cross-check desmopressin pharmacophore against polycystic_ovary_syndrome pathway. enalapril esophageal_cancer GAP_LOW 0.1075 0.1 doxorubicin Low-priority: Computational docking enalapril vs esophageal_cancer targets. Cross-check enalapril pharmacophore against esophageal_cancer pathway. dihydrotachysterol azoospermia GAP_LOW 0.1075 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs azoospermia targets. Cross-check dihydrotachysterol pharmacophore against azoospermia pathway. telbivudine metabolic_syndrome_x GAP_LOW 0.1075 0.08333333333333333 lidocaine Low-priority: Computational docking telbivudine vs metabolic_syndrome_x targets. Cross-check telbivudine pharmacophore against metabolic_syndrome_x pathway. ospemifene focal_segmental_glomerulosclerosis GAP_LOW 0.1075 0.08 toremifene Low-priority: Computational docking ospemifene vs focal_segmental_glomerulosclerosis targets. Cross-check ospemifene pharmacophore against focal_segmental_glomerulosclerosis pathway. codeine idiopathic_pulmonary_fibrosis GAP_LOW 0.1075 0.07692307692307693 cyclandelate Low-priority: Computational docking codeine vs idiopathic_pulmonary_fibrosis targets. Cross-check codeine pharmacophore against idiopathic_pulmonary_fibrosis pathway. chlorpropamide chronic_kidney_failure GAP_LOW 0.1075 0.0625 indapamide Low-priority: Computational docking chlorpropamide vs chronic_kidney_failure targets. Cross-check chlorpropamide pharmacophore against chronic_kidney_failure pathway. l-citrulline metabolic_syndrome_x GAP_LOW 0.1075 0.057692307692307696 benazepril Low-priority: Computational docking l-citrulline vs metabolic_syndrome_x targets. Cross-check l-citrulline pharmacophore against metabolic_syndrome_x pathway. tretinoin lymphatic_system_cancer GAP_LOW 0.1075 0.05555555555555555 lamivudine Low-priority: Computational docking tretinoin vs lymphatic_system_cancer targets. Cross-check tretinoin pharmacophore against lymphatic_system_cancer pathway. felypressin idiopathic_pulmonary_fibrosis GAP_LOW 0.1075 0.047619047619047616 zafirlukast Low-priority: Computational docking felypressin vs idiopathic_pulmonary_fibrosis targets. Cross-check felypressin pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-asparagine stomach_cancer GAP_LOW 0.1075 0.03333333333333333 fluticasone_propionate Low-priority: Computational docking l-asparagine vs stomach_cancer targets. Cross-check l-asparagine pharmacophore against stomach_cancer pathway. conivaptan mediastinal_cancer GAP_LOW 0.1075 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs mediastinal_cancer targets. Cross-check conivaptan pharmacophore against mediastinal_cancer pathway. cyproheptadine leprosy GAP_LOW 0.1075 0.0 sulfapyridine Low-priority: Computational docking cyproheptadine vs leprosy targets. Cross-check cyproheptadine pharmacophore against leprosy pathway. disopyramide leprosy GAP_LOW 0.1075 0.0 sulfapyridine Low-priority: Computational docking disopyramide vs leprosy targets. Cross-check disopyramide pharmacophore against leprosy pathway. isocarboxazid leprosy GAP_LOW 0.1075 0.0 sulfapyridine Low-priority: Computational docking isocarboxazid vs leprosy targets. Cross-check isocarboxazid pharmacophore against leprosy pathway. mannitol alzheimers_disease GAP_LOW 0.1075 0.0 flurazepam Low-priority: Computational docking mannitol vs alzheimers_disease targets. Cross-check mannitol pharmacophore against alzheimers_disease pathway. mannitol liver_cancer GAP_LOW 0.1075 0.0 hydrocortisone Low-priority: Computational docking mannitol vs liver_cancer targets. Cross-check mannitol pharmacophore against liver_cancer pathway. mannitol parkinsons_disease GAP_LOW 0.1075 0.0 cinolazepam Low-priority: Computational docking mannitol vs parkinsons_disease targets. Cross-check mannitol pharmacophore against parkinsons_disease pathway. pentostatin leprosy GAP_LOW 0.1075 0.0 sulfapyridine Low-priority: Computational docking pentostatin vs leprosy targets. Cross-check pentostatin pharmacophore against leprosy pathway. pravastatin liver_cancer GAP_LOW 0.1075 0.0 hydrocortisone Low-priority: Computational docking pravastatin vs liver_cancer targets. Cross-check pravastatin pharmacophore against liver_cancer pathway. dexamethasone type_2_diabetes_mellitus GAP_HIGH 0.1074 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to doxorubicin (Jaccard=0.29) dexamethasone autistic_disorder GAP_HIGH 0.1074 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) dexamethasone nicotine_dependence GAP_HIGH 0.1074 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.27) acetylsalicylic_acid malignant_mesothelioma GAP_HIGH 0.1074 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in malignant_mesothelioma cell model. Expected: similar to lapatinib (Jaccard=0.24) flurbiprofen celiac_disease GAP_HIGH 0.1074 0.22580645161290322 suprofen High-priority: Binding assay flurbiprofen→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.23) levorphanol attention_deficit_hyperactivity_disorder GAP_HIGH 0.1074 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) salicylic_acid primary_biliary_cirrhosis GAP_HIGH 0.1074 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.22) probenecid uterine_cancer GAP_HIGH 0.1074 0.16666666666666666 mitiglinide High-priority: Binding assay probenecid→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) pimozide lung_cancer GAP_HIGH 0.1074 0.15384615384615385 ifenprodil High-priority: Binding assay pimozide→?; validate in lung_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.15) ethotoin peripheral_nervous_system_neoplasm GAP_LOW 0.1074 0.12903225806451613 phenylbutazone Low-priority: Computational docking ethotoin vs peripheral_nervous_system_neoplasm targets. Cross-check ethotoin pharmacophore against peripheral_nervous_system_neoplasm pathway. telmisartan allergic_rhinitis GAP_LOW 0.1074 0.125 desipramine Low-priority: Computational docking telmisartan vs allergic_rhinitis targets. Cross-check telmisartan pharmacophore against allergic_rhinitis pathway. telmisartan stomach_cancer GAP_LOW 0.1074 0.125 desipramine Low-priority: Computational docking telmisartan vs stomach_cancer targets. Cross-check telmisartan pharmacophore against stomach_cancer pathway. alitretinoin thymus_cancer GAP_LOW 0.1074 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs thymus_cancer targets. Cross-check alitretinoin pharmacophore against thymus_cancer pathway. lenalidomide creutzfeldt-jakob_disease GAP_LOW 0.1074 0.1111111111111111 phenylephrine Low-priority: Computational docking lenalidomide vs creutzfeldt-jakob_disease targets. Cross-check lenalidomide pharmacophore against creutzfeldt-jakob_disease pathway. practolol malignant_mesothelioma GAP_LOW 0.1074 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs malignant_mesothelioma targets. Cross-check practolol pharmacophore against malignant_mesothelioma pathway. adinazolam salivary_gland_cancer GAP_LOW 0.1074 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs salivary_gland_cancer targets. Cross-check adinazolam pharmacophore against salivary_gland_cancer pathway. abacavir brain_cancer GAP_LOW 0.1074 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs brain_cancer targets. Cross-check abacavir pharmacophore against brain_cancer pathway. abacavir intracranial_aneurysm GAP_LOW 0.1074 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs intracranial_aneurysm targets. Cross-check abacavir pharmacophore against intracranial_aneurysm pathway. paricalcitol hematologic_cancer GAP_LOW 0.1074 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs hematologic_cancer targets. Cross-check paricalcitol pharmacophore against hematologic_cancer pathway. paricalcitol narcolepsy GAP_LOW 0.1074 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs narcolepsy targets. Cross-check paricalcitol pharmacophore against narcolepsy pathway. ospemifene gilles_de_la_tourette_syndrome GAP_LOW 0.1074 0.08 toremifene Low-priority: Computational docking ospemifene vs gilles_de_la_tourette_syndrome targets. Cross-check ospemifene pharmacophore against gilles_de_la_tourette_syndrome pathway. pazopanib bone_cancer GAP_LOW 0.1074 0.07692307692307693 histamine_phosphate Low-priority: Computational docking pazopanib vs bone_cancer targets. Cross-check pazopanib pharmacophore against bone_cancer pathway. dyphylline liver_cancer GAP_LOW 0.1074 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs liver_cancer targets. Cross-check dyphylline pharmacophore against liver_cancer pathway. vapreotide salivary_gland_cancer GAP_LOW 0.1074 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs salivary_gland_cancer targets. Cross-check vapreotide pharmacophore against salivary_gland_cancer pathway. vitamin_a type_1_diabetes_mellitus GAP_LOW 0.1074 0.058823529411764705 gliclazide Low-priority: Computational docking vitamin_a vs type_1_diabetes_mellitus targets. Cross-check vitamin_a pharmacophore against type_1_diabetes_mellitus pathway. lenalidomide hepatitis_b GAP_LOW 0.1074 0.05555555555555555 ribavirin Low-priority: Computational docking lenalidomide vs hepatitis_b targets. Cross-check lenalidomide pharmacophore against hepatitis_b pathway. l-citrulline psoriasis GAP_LOW 0.1074 0.05454545454545454 epinephrine Low-priority: Computational docking l-citrulline vs psoriasis targets. Cross-check l-citrulline pharmacophore against psoriasis pathway. l-citrulline pancreatic_cancer GAP_LOW 0.1074 0.05357142857142857 dexamethasone Low-priority: Computational docking l-citrulline vs pancreatic_cancer targets. Cross-check l-citrulline pharmacophore against pancreatic_cancer pathway. terlipressin malignant_mesothelioma GAP_LOW 0.1074 0.043478260869565216 prednisone Low-priority: Computational docking terlipressin vs malignant_mesothelioma targets. Cross-check terlipressin pharmacophore against malignant_mesothelioma pathway. alfacalcidol bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking alfacalcidol vs bone_cancer targets. Cross-check alfacalcidol pharmacophore against bone_cancer pathway. alfacalcidol gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking alfacalcidol vs gestational_diabetes targets. Cross-check alfacalcidol pharmacophore against gestational_diabetes pathway. amlodipine primary_biliary_cirrhosis GAP_LOW 0.1074 0.0 hydrocortisone Low-priority: Computational docking amlodipine vs primary_biliary_cirrhosis targets. Cross-check amlodipine pharmacophore against primary_biliary_cirrhosis pathway. calcidiol bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking calcidiol vs bone_cancer targets. Cross-check calcidiol pharmacophore against bone_cancer pathway. calcidiol gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking calcidiol vs gestational_diabetes targets. Cross-check calcidiol pharmacophore against gestational_diabetes pathway. calcipotriol bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking calcipotriol vs bone_cancer targets. Cross-check calcipotriol pharmacophore against bone_cancer pathway. calcipotriol gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking calcipotriol vs gestational_diabetes targets. Cross-check calcipotriol pharmacophore against gestational_diabetes pathway. ceruletide bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking ceruletide vs bone_cancer targets. Cross-check ceruletide pharmacophore against bone_cancer pathway. ceruletide gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking ceruletide vs gestational_diabetes targets. Cross-check ceruletide pharmacophore against gestational_diabetes pathway. chlorphenesin bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking chlorphenesin vs bone_cancer targets. Cross-check chlorphenesin pharmacophore against bone_cancer pathway. conivaptan gout GAP_LOW 0.1074 0.0 methdilazine Low-priority: Computational docking conivaptan vs gout targets. Cross-check conivaptan pharmacophore against gout pathway. dihydrotachysterol bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking dihydrotachysterol vs bone_cancer targets. Cross-check dihydrotachysterol pharmacophore against bone_cancer pathway. dihydrotachysterol gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking dihydrotachysterol vs gestational_diabetes targets. Cross-check dihydrotachysterol pharmacophore against gestational_diabetes pathway. doxapram bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking doxapram vs bone_cancer targets. Cross-check doxapram pharmacophore against bone_cancer pathway. doxapram gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking doxapram vs gestational_diabetes targets. Cross-check doxapram pharmacophore against gestational_diabetes pathway. ethotoin bone_cancer GAP_LOW 0.1074 0.0 ibandronate Low-priority: Computational docking ethotoin vs bone_cancer targets. Cross-check ethotoin pharmacophore against bone_cancer pathway. mannitol amyotrophic_lateral_sclerosis GAP_LOW 0.1074 0.0 cinolazepam Low-priority: Computational docking mannitol vs amyotrophic_lateral_sclerosis targets. Cross-check mannitol pharmacophore against amyotrophic_lateral_sclerosis pathway. mannitol autistic_disorder GAP_LOW 0.1074 0.0 flurazepam Low-priority: Computational docking mannitol vs autistic_disorder targets. Cross-check mannitol pharmacophore against autistic_disorder pathway. mannitol nicotine_dependence GAP_LOW 0.1074 0.0 cinolazepam Low-priority: Computational docking mannitol vs nicotine_dependence targets. Cross-check mannitol pharmacophore against nicotine_dependence pathway. ziprasidone gestational_diabetes GAP_LOW 0.1074 0.0 tolazamide Low-priority: Computational docking ziprasidone vs gestational_diabetes targets. Cross-check ziprasidone pharmacophore against gestational_diabetes pathway. thiothixene muscle_cancer GAP_HIGH 0.1073 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in muscle_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.33) l-tyrosine ankylosing_spondylitis GAP_HIGH 0.1073 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in ankylosing_spondylitis cell model. Expected: similar to suprofen (Jaccard=0.28) atomoxetine pharynx_cancer GAP_HIGH 0.1073 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) mazindol mediastinal_cancer GAP_HIGH 0.1073 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) flurbiprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.1073 0.25 sotalol High-priority: Binding assay flurbiprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.25) clotrimazole membranous_glomerulonephritis GAP_HIGH 0.1073 0.24 bevantolol High-priority: Binding assay clotrimazole→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bevantolol (Jaccard=0.24) gemcitabine hypertension GAP_HIGH 0.1073 0.2 trimethoprim High-priority: Binding assay gemcitabine→?; validate in hypertension cell model. Expected: similar to trimethoprim (Jaccard=0.20) propiomazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1073 0.2 isopropamide High-priority: Binding assay propiomazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to isopropamide (Jaccard=0.20) midazolam refractive_error GAP_HIGH 0.1073 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in refractive_error cell model. Expected: similar to practolol (Jaccard=0.17) sulfapyridine germ_cell_cancer GAP_HIGH 0.1073 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) pimozide stomach_cancer GAP_HIGH 0.1073 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in stomach_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) l-glutamine panic_disorder GAP_HIGH 0.1073 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in panic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.15) l-glutamine schizophrenia GAP_HIGH 0.1073 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in schizophrenia cell model. Expected: similar to l-histidine (Jaccard=0.15) phenylpropanolamine acquired_immunodeficiency_syndrome GAP_LOW 0.1073 0.14285714285714285 nateglinide Low-priority: Computational docking phenylpropanolamine vs acquired_immunodeficiency_syndrome targets. Cross-check phenylpropanolamine pharmacophore against acquired_immunodeficiency_syndrome pathway. clonazepam melanoma GAP_LOW 0.1073 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs melanoma targets. Cross-check clonazepam pharmacophore against melanoma pathway. sulfamethizole prostate_cancer GAP_LOW 0.1073 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs prostate_cancer targets. Cross-check sulfamethizole pharmacophore against prostate_cancer pathway. dasatinib migraine GAP_LOW 0.1073 0.1111111111111111 pseudoephedrine Low-priority: Computational docking dasatinib vs migraine targets. Cross-check dasatinib pharmacophore against migraine pathway. probenecid esophageal_cancer GAP_LOW 0.1073 0.1111111111111111 topotecan Low-priority: Computational docking probenecid vs esophageal_cancer targets. Cross-check probenecid pharmacophore against esophageal_cancer pathway. cinchocaine duodenum_cancer GAP_LOW 0.1073 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs duodenum_cancer targets. Cross-check cinchocaine pharmacophore against duodenum_cancer pathway. cinchocaine gallbladder_cancer GAP_LOW 0.1073 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs gallbladder_cancer targets. Cross-check cinchocaine pharmacophore against gallbladder_cancer pathway. desmopressin rheumatoid_arthritis GAP_LOW 0.1073 0.1 clopidogrel Low-priority: Computational docking desmopressin vs rheumatoid_arthritis targets. Cross-check desmopressin pharmacophore against rheumatoid_arthritis pathway. practolol celiac_disease GAP_LOW 0.1073 0.1 phenindamine Low-priority: Computational docking practolol vs celiac_disease targets. Cross-check practolol pharmacophore against celiac_disease pathway. indomethacin pancreatitis GAP_LOW 0.1073 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs pancreatitis targets. Cross-check indomethacin pharmacophore against pancreatitis pathway. hydrochlorothiazide stomach_cancer GAP_LOW 0.1073 0.08571428571428572 fenoprofen Low-priority: Computational docking hydrochlorothiazide vs stomach_cancer targets. Cross-check hydrochlorothiazide pharmacophore against stomach_cancer pathway. adenine acquired_immunodeficiency_syndrome GAP_LOW 0.1073 0.08333333333333333 emtricitabine Low-priority: Computational docking adenine vs acquired_immunodeficiency_syndrome targets. Cross-check adenine pharmacophore against acquired_immunodeficiency_syndrome pathway. desmopressin ankylosing_spondylitis GAP_LOW 0.1073 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs ankylosing_spondylitis targets. Cross-check desmopressin pharmacophore against ankylosing_spondylitis pathway. sulfapyridine alcohol_dependence GAP_LOW 0.1073 0.07547169811320754 mazindol Low-priority: Computational docking sulfapyridine vs alcohol_dependence targets. Cross-check sulfapyridine pharmacophore against alcohol_dependence pathway. dyphylline peripheral_nervous_system_neoplasm GAP_LOW 0.1073 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs peripheral_nervous_system_neoplasm targets. Cross-check dyphylline pharmacophore against peripheral_nervous_system_neoplasm pathway. nelarabine restless_legs_syndrome GAP_LOW 0.1073 0.06666666666666667 chloroprocaine Low-priority: Computational docking nelarabine vs restless_legs_syndrome targets. Cross-check nelarabine pharmacophore against restless_legs_syndrome pathway. vapreotide muscle_cancer GAP_LOW 0.1073 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs muscle_cancer targets. Cross-check vapreotide pharmacophore against muscle_cancer pathway. dyphylline hematologic_cancer GAP_LOW 0.1073 0.05555555555555555 adenosine Low-priority: Computational docking dyphylline vs hematologic_cancer targets. Cross-check dyphylline pharmacophore against hematologic_cancer pathway. l-cysteine ocular_cancer GAP_LOW 0.1073 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-cysteine vs ocular_cancer targets. Cross-check l-cysteine pharmacophore against ocular_cancer pathway. l-methionine pancreatitis GAP_LOW 0.1073 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs pancreatitis targets. Cross-check l-methionine pharmacophore against pancreatitis pathway. l-cysteine meningioma GAP_LOW 0.1073 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs meningioma targets. Cross-check l-cysteine pharmacophore against meningioma pathway. aminosalicylic_acid pagets_disease_of_bone GAP_LOW 0.1073 0.0 ibandronate Low-priority: Computational docking aminosalicylic_acid vs pagets_disease_of_bone targets. Cross-check aminosalicylic_acid pharmacophore against pagets_disease_of_bone pathway. choline malaria GAP_LOW 0.1073 0.0 ethotoin Low-priority: Computational docking choline vs malaria targets. Cross-check choline pharmacophore against malaria pathway. conivaptan thymus_cancer GAP_LOW 0.1073 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs thymus_cancer targets. Cross-check conivaptan pharmacophore against thymus_cancer pathway. droxidopa pagets_disease_of_bone GAP_LOW 0.1073 0.0 ibandronate Low-priority: Computational docking droxidopa vs pagets_disease_of_bone targets. Cross-check droxidopa pharmacophore against pagets_disease_of_bone pathway. ifenprodil pagets_disease_of_bone GAP_LOW 0.1073 0.0 ibandronate Low-priority: Computational docking ifenprodil vs pagets_disease_of_bone targets. Cross-check ifenprodil pharmacophore against pagets_disease_of_bone pathway. mannitol urinary_bladder_cancer GAP_LOW 0.1073 0.0 hydrocortisone Low-priority: Computational docking mannitol vs urinary_bladder_cancer targets. Cross-check mannitol pharmacophore against urinary_bladder_cancer pathway. tauroursodeoxycholic_acid peripheral_nervous_system_neoplasm GAP_LOW 0.1073 0.0 hydrocortisone Low-priority: Computational docking tauroursodeoxycholic_acid vs peripheral_nervous_system_neoplasm targets. Cross-check tauroursodeoxycholic_acid pharmacophore against peripheral_nervous_system_neoplasm pathway. phenytoin hematologic_cancer GAP_HIGH 0.1072 0.30612244897959184 phensuximide High-priority: Binding assay phenytoin→?; validate in hematologic_cancer cell model. Expected: similar to phensuximide (Jaccard=0.31) dexamethasone rheumatoid_arthritis GAP_HIGH 0.1072 0.2857142857142857 doxorubicin High-priority: Binding assay dexamethasone→?; validate in rheumatoid_arthritis cell model. Expected: similar to doxorubicin (Jaccard=0.29) dexamethasone attention_deficit_hyperactivity_disorder GAP_HIGH 0.1072 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) mazindol thymus_cancer GAP_HIGH 0.1072 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) chlordiazepoxide sarcoma GAP_HIGH 0.1072 0.2647058823529412 chlorcyclizine High-priority: Binding assay chlordiazepoxide→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.26) triflupromazine gout GAP_HIGH 0.1072 0.25 mianserin High-priority: Binding assay triflupromazine→?; validate in gout cell model. Expected: similar to mianserin (Jaccard=0.25) phenelzine sclerosing_cholangitis GAP_HIGH 0.1072 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.23) phenprocoumon pharynx_cancer GAP_HIGH 0.1072 0.2222222222222222 modafinil High-priority: Binding assay phenprocoumon→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.22) benzphetamine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1072 0.21428571428571427 diphenhydramine High-priority: Binding assay benzphetamine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.21) carbinoxamine atherosclerosis GAP_HIGH 0.1072 0.1875 warfarin High-priority: Binding assay carbinoxamine→?; validate in atherosclerosis cell model. Expected: similar to warfarin (Jaccard=0.19) nitrazepam skin_cancer GAP_HIGH 0.1072 0.18181818181818182 practolol High-priority: Binding assay nitrazepam→?; validate in skin_cancer cell model. Expected: similar to practolol (Jaccard=0.18) methamphetamine germ_cell_cancer GAP_HIGH 0.1072 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in germ_cell_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) pimozide pancreatic_cancer GAP_HIGH 0.1072 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in pancreatic_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) l-glutamine atopic_dermatitis GAP_HIGH 0.1072 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in atopic_dermatitis cell model. Expected: similar to l-histidine (Jaccard=0.15) oxybuprocaine chronic_kidney_failure GAP_LOW 0.1072 0.14814814814814814 ethopropazine Low-priority: Computational docking oxybuprocaine vs chronic_kidney_failure targets. Cross-check oxybuprocaine pharmacophore against chronic_kidney_failure pathway. olanzapine pharynx_cancer GAP_LOW 0.1072 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs pharynx_cancer targets. Cross-check olanzapine pharmacophore against pharynx_cancer pathway. olanzapine malignant_mesothelioma GAP_LOW 0.1072 0.125 alendronate Low-priority: Computational docking olanzapine vs malignant_mesothelioma targets. Cross-check olanzapine pharmacophore against malignant_mesothelioma pathway. telmisartan ovarian_cancer GAP_LOW 0.1072 0.125 desipramine Low-priority: Computational docking telmisartan vs ovarian_cancer targets. Cross-check telmisartan pharmacophore against ovarian_cancer pathway. doxorubicin acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.11764705882352941 lisinopril Low-priority: Computational docking doxorubicin vs acquired_immunodeficiency_syndrome targets. Cross-check doxorubicin pharmacophore against acquired_immunodeficiency_syndrome pathway. pamidronate hepatitis_b GAP_LOW 0.1072 0.11764705882352941 nateglinide Low-priority: Computational docking pamidronate vs hepatitis_b targets. Cross-check pamidronate pharmacophore against hepatitis_b pathway. hydromorphone meningioma GAP_LOW 0.1072 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs meningioma targets. Cross-check hydromorphone pharmacophore against meningioma pathway. adinazolam muscle_cancer GAP_LOW 0.1072 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs muscle_cancer targets. Cross-check adinazolam pharmacophore against muscle_cancer pathway. topotecan acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.1 lisinopril Low-priority: Computational docking topotecan vs acquired_immunodeficiency_syndrome targets. Cross-check topotecan pharmacophore against acquired_immunodeficiency_syndrome pathway. proparacaine pharynx_cancer GAP_LOW 0.1072 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs pharynx_cancer targets. Cross-check proparacaine pharmacophore against pharynx_cancer pathway. adinazolam refractive_error GAP_LOW 0.1072 0.07692307692307693 practolol Low-priority: Computational docking adinazolam vs refractive_error targets. Cross-check adinazolam pharmacophore against refractive_error pathway. dyphylline osteoarthritis GAP_LOW 0.1072 0.07142857142857142 nitrazepam Low-priority: Computational docking dyphylline vs osteoarthritis targets. Cross-check dyphylline pharmacophore against osteoarthritis pathway. calcidiol gilles_de_la_tourette_syndrome GAP_LOW 0.1072 0.06666666666666667 anileridine Low-priority: Computational docking calcidiol vs gilles_de_la_tourette_syndrome targets. Cross-check calcidiol pharmacophore against gilles_de_la_tourette_syndrome pathway. clotiazepam brain_cancer GAP_LOW 0.1072 0.058823529411764705 levorphanol Low-priority: Computational docking clotiazepam vs brain_cancer targets. Cross-check clotiazepam pharmacophore against brain_cancer pathway. l-cysteine obesity GAP_LOW 0.1072 0.05 l-lysine Low-priority: Computational docking l-cysteine vs obesity targets. Cross-check l-cysteine pharmacophore against obesity pathway. l-cysteine psoriasis GAP_LOW 0.1072 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs psoriasis targets. Cross-check l-cysteine pharmacophore against psoriasis pathway. l-cysteine ulcerative_colitis GAP_LOW 0.1072 0.045454545454545456 anisotropine_methylbromide Low-priority: Computational docking l-cysteine vs ulcerative_colitis targets. Cross-check l-cysteine pharmacophore against ulcerative_colitis pathway. l-cysteine stomach_cancer GAP_LOW 0.1072 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs stomach_cancer targets. Cross-check l-cysteine pharmacophore against stomach_cancer pathway. salbutamol acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.043478260869565216 vidarabine Low-priority: Computational docking salbutamol vs acquired_immunodeficiency_syndrome targets. Cross-check salbutamol pharmacophore against acquired_immunodeficiency_syndrome pathway. bimatoprost acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.0 mitiglinide Low-priority: Computational docking bimatoprost vs acquired_immunodeficiency_syndrome targets. Cross-check bimatoprost pharmacophore against acquired_immunodeficiency_syndrome pathway. conivaptan narcolepsy GAP_LOW 0.1072 0.0 phenylbutazone Low-priority: Computational docking conivaptan vs narcolepsy targets. Cross-check conivaptan pharmacophore against narcolepsy pathway. latanoprost acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.0 mitiglinide Low-priority: Computational docking latanoprost vs acquired_immunodeficiency_syndrome targets. Cross-check latanoprost pharmacophore against acquired_immunodeficiency_syndrome pathway. mannitol attention_deficit_hyperactivity_disorder GAP_LOW 0.1072 0.0 flurazepam Low-priority: Computational docking mannitol vs attention_deficit_hyperactivity_disorder targets. Cross-check mannitol pharmacophore against attention_deficit_hyperactivity_disorder pathway. travoprost acquired_immunodeficiency_syndrome GAP_LOW 0.1072 0.0 mitiglinide Low-priority: Computational docking travoprost vs acquired_immunodeficiency_syndrome targets. Cross-check travoprost pharmacophore against acquired_immunodeficiency_syndrome pathway. clotrimazole uterine_fibroid GAP_HIGH 0.1071 0.2777777777777778 ifenprodil High-priority: Binding assay clotrimazole→?; validate in uterine_fibroid cell model. Expected: similar to ifenprodil (Jaccard=0.28) phenytoin focal_segmental_glomerulosclerosis GAP_HIGH 0.1071 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorprothixene (Jaccard=0.26) salicylic_acid pharynx_cancer GAP_HIGH 0.1071 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) dexamethasone glaucoma GAP_HIGH 0.1071 0.2222222222222222 choline High-priority: Binding assay dexamethasone→?; validate in glaucoma cell model. Expected: similar to choline (Jaccard=0.22) levorphanol schizophrenia GAP_HIGH 0.1071 0.2222222222222222 diphemanil_methylsulfate High-priority: Binding assay levorphanol→?; validate in schizophrenia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.22) clodronate restless_legs_syndrome GAP_HIGH 0.1071 0.2 metolazone High-priority: Binding assay clodronate→?; validate in restless_legs_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) pazopanib coronary_artery_disease GAP_HIGH 0.1071 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.20) vinblastine alzheimers_disease GAP_HIGH 0.1071 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in alzheimers_disease cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine parkinsons_disease GAP_HIGH 0.1071 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in parkinsons_disease cell model. Expected: similar to epinastine (Jaccard=0.20) vismodegib idiopathic_pulmonary_fibrosis GAP_HIGH 0.1071 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to droxidopa (Jaccard=0.19) afatinib metabolic_syndrome_x GAP_HIGH 0.1071 0.1875 captopril High-priority: Binding assay afatinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to captopril (Jaccard=0.19) pimozide multiple_sclerosis GAP_HIGH 0.1071 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in multiple_sclerosis cell model. Expected: similar to fentanyl (Jaccard=0.16) nitrazepam celiac_disease GAP_LOW 0.1071 0.14285714285714285 phenindamine Low-priority: Computational docking nitrazepam vs celiac_disease targets. Cross-check nitrazepam pharmacophore against celiac_disease pathway. sulfamethizole mediastinal_cancer GAP_LOW 0.1071 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs mediastinal_cancer targets. Cross-check sulfamethizole pharmacophore against mediastinal_cancer pathway. oxcarbazepine atherosclerosis GAP_LOW 0.1071 0.13043478260869565 pseudoephedrine Low-priority: Computational docking oxcarbazepine vs atherosclerosis targets. Cross-check oxcarbazepine pharmacophore against atherosclerosis pathway. buclizine acquired_immunodeficiency_syndrome GAP_LOW 0.1071 0.12903225806451613 nateglinide Low-priority: Computational docking buclizine vs acquired_immunodeficiency_syndrome targets. Cross-check buclizine pharmacophore against acquired_immunodeficiency_syndrome pathway. telmisartan migraine GAP_LOW 0.1071 0.125 desipramine Low-priority: Computational docking telmisartan vs migraine targets. Cross-check telmisartan pharmacophore against migraine pathway. abacavir breast_cancer GAP_LOW 0.1071 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs breast_cancer targets. Cross-check abacavir pharmacophore against breast_cancer pathway. abacavir colon_cancer GAP_LOW 0.1071 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs colon_cancer targets. Cross-check abacavir pharmacophore against colon_cancer pathway. bepotastine celiac_disease GAP_LOW 0.1071 0.11538461538461539 chlorcyclizine Low-priority: Computational docking bepotastine vs celiac_disease targets. Cross-check bepotastine pharmacophore against celiac_disease pathway. tolmetin glaucoma GAP_LOW 0.1071 0.1111111111111111 pseudoephedrine Low-priority: Computational docking tolmetin vs glaucoma targets. Cross-check tolmetin pharmacophore against glaucoma pathway. adinazolam ocular_cancer GAP_LOW 0.1071 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs ocular_cancer targets. Cross-check adinazolam pharmacophore against ocular_cancer pathway. allylestrenol azoospermia GAP_LOW 0.1071 0.1 dienestrol Low-priority: Computational docking allylestrenol vs azoospermia targets. Cross-check allylestrenol pharmacophore against azoospermia pathway. furosemide type_1_diabetes_mellitus GAP_LOW 0.1071 0.09090909090909091 glimepiride Low-priority: Computational docking furosemide vs type_1_diabetes_mellitus targets. Cross-check furosemide pharmacophore against type_1_diabetes_mellitus pathway. vitamin_a nicotine_dependence GAP_LOW 0.1071 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs nicotine_dependence targets. Cross-check vitamin_a pharmacophore against nicotine_dependence pathway. telbivudine obesity GAP_LOW 0.1071 0.08333333333333333 lidocaine Low-priority: Computational docking telbivudine vs obesity targets. Cross-check telbivudine pharmacophore against obesity pathway. anisotropine_methylbromide atherosclerosis GAP_LOW 0.1071 0.07692307692307693 phenacemide Low-priority: Computational docking anisotropine_methylbromide vs atherosclerosis targets. Cross-check anisotropine_methylbromide pharmacophore against atherosclerosis pathway. hydrochlorothiazide duodenum_cancer GAP_LOW 0.1071 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs duodenum_cancer targets. Cross-check hydrochlorothiazide pharmacophore against duodenum_cancer pathway. hydrochlorothiazide gallbladder_cancer GAP_LOW 0.1071 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs gallbladder_cancer targets. Cross-check hydrochlorothiazide pharmacophore against gallbladder_cancer pathway. indomethacin meningioma GAP_LOW 0.1071 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs meningioma targets. Cross-check indomethacin pharmacophore against meningioma pathway. proparacaine germ_cell_cancer GAP_LOW 0.1071 0.07692307692307693 topotecan Low-priority: Computational docking proparacaine vs germ_cell_cancer targets. Cross-check proparacaine pharmacophore against germ_cell_cancer pathway. pomalidomide kidney_cancer GAP_LOW 0.1071 0.07142857142857142 methotrexate Low-priority: Computational docking pomalidomide vs kidney_cancer targets. Cross-check pomalidomide pharmacophore against kidney_cancer pathway. emtricitabine restless_legs_syndrome GAP_LOW 0.1071 0.0625 chloroprocaine Low-priority: Computational docking emtricitabine vs restless_legs_syndrome targets. Cross-check emtricitabine pharmacophore against restless_legs_syndrome pathway. cyclizine leprosy GAP_LOW 0.1071 0.058823529411764705 sulfamethizole Low-priority: Computational docking cyclizine vs leprosy targets. Cross-check cyclizine pharmacophore against leprosy pathway. vapreotide ocular_cancer GAP_LOW 0.1071 0.058823529411764705 cortisone_acetate Low-priority: Computational docking vapreotide vs ocular_cancer targets. Cross-check vapreotide pharmacophore against ocular_cancer pathway. l-citrulline obesity GAP_LOW 0.1071 0.057692307692307696 benazepril Low-priority: Computational docking l-citrulline vs obesity targets. Cross-check l-citrulline pharmacophore against obesity pathway. l-methionine metabolic_syndrome_x GAP_LOW 0.1071 0.05 l-lysine Low-priority: Computational docking l-methionine vs metabolic_syndrome_x targets. Cross-check l-methionine pharmacophore against metabolic_syndrome_x pathway. sulfadiazine bone_cancer GAP_LOW 0.1071 0.047619047619047616 tetrahydrofolic_acid Low-priority: Computational docking sulfadiazine vs bone_cancer targets. Cross-check sulfadiazine pharmacophore against bone_cancer pathway. l-cysteine pancreatic_cancer GAP_LOW 0.1071 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs pancreatic_cancer targets. Cross-check l-cysteine pharmacophore against pancreatic_cancer pathway. bimatoprost membranous_glomerulonephritis GAP_LOW 0.1071 0.041666666666666664 bevantolol Low-priority: Computational docking bimatoprost vs membranous_glomerulonephritis targets. Cross-check bimatoprost pharmacophore against membranous_glomerulonephritis pathway. calcium_acetate germ_cell_cancer GAP_LOW 0.1071 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs germ_cell_cancer targets. Cross-check calcium_acetate pharmacophore against germ_cell_cancer pathway. diphemanil_methylsulfate pagets_disease_of_bone GAP_LOW 0.1071 0.0 ibandronate Low-priority: Computational docking diphemanil_methylsulfate vs pagets_disease_of_bone targets. Cross-check diphemanil_methylsulfate pharmacophore against pagets_disease_of_bone pathway. lercanidipine germ_cell_cancer GAP_LOW 0.1071 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs germ_cell_cancer targets. Cross-check lercanidipine pharmacophore against germ_cell_cancer pathway. nimodipine germ_cell_cancer GAP_LOW 0.1071 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs germ_cell_cancer targets. Cross-check nimodipine pharmacophore against germ_cell_cancer pathway. perphenazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.107 0.26666666666666666 azatadine High-priority: Binding assay perphenazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.27) clozapine meningioma GAP_HIGH 0.107 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.23) clodronate polycystic_ovary_syndrome GAP_HIGH 0.107 0.2 metolazone High-priority: Binding assay clodronate→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to metolazone (Jaccard=0.20) clodronate type_2_diabetes_mellitus GAP_HIGH 0.107 0.2 metolazone High-priority: Binding assay clodronate→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to metolazone (Jaccard=0.20) gemcitabine migraine GAP_HIGH 0.107 0.2 trimethoprim High-priority: Binding assay gemcitabine→?; validate in migraine cell model. Expected: similar to trimethoprim (Jaccard=0.20) vinblastine amyotrophic_lateral_sclerosis GAP_HIGH 0.107 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine autistic_disorder GAP_HIGH 0.107 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in autistic_disorder cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine nicotine_dependence GAP_HIGH 0.107 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in nicotine_dependence cell model. Expected: similar to epinastine (Jaccard=0.20) crizotinib duodenum_cancer GAP_HIGH 0.107 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) crizotinib gallbladder_cancer GAP_HIGH 0.107 0.17647058823529413 doxorubicin High-priority: Binding assay crizotinib→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.18) orphenadrine idiopathic_pulmonary_fibrosis GAP_HIGH 0.107 0.15384615384615385 diphenhydramine High-priority: Binding assay orphenadrine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.15) adenine penile_cancer GAP_LOW 0.107 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs penile_cancer targets. Cross-check adenine pharmacophore against penile_cancer pathway. sulfamethizole thymus_cancer GAP_LOW 0.107 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs thymus_cancer targets. Cross-check sulfamethizole pharmacophore against thymus_cancer pathway. mequitazine bone_cancer GAP_LOW 0.107 0.125 alendronate Low-priority: Computational docking mequitazine vs bone_cancer targets. Cross-check mequitazine pharmacophore against bone_cancer pathway. ramipril larynx_cancer GAP_LOW 0.107 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs larynx_cancer targets. Cross-check ramipril pharmacophore against larynx_cancer pathway. ospemifene narcolepsy GAP_LOW 0.107 0.1111111111111111 diethylstilbestrol Low-priority: Computational docking ospemifene vs narcolepsy targets. Cross-check ospemifene pharmacophore against narcolepsy pathway. sotalol hepatitis_b GAP_LOW 0.107 0.10526315789473684 trandolapril Low-priority: Computational docking sotalol vs hepatitis_b targets. Cross-check sotalol pharmacophore against hepatitis_b pathway. danazol glaucoma GAP_LOW 0.107 0.1 choline Low-priority: Computational docking danazol vs glaucoma targets. Cross-check danazol pharmacophore against glaucoma pathway. desmopressin psoriatic_arthritis GAP_LOW 0.107 0.1 clopidogrel Low-priority: Computational docking desmopressin vs psoriatic_arthritis targets. Cross-check desmopressin pharmacophore against psoriatic_arthritis pathway. zafirlukast chronic_kidney_failure GAP_LOW 0.107 0.06666666666666667 indapamide Low-priority: Computational docking zafirlukast vs chronic_kidney_failure targets. Cross-check zafirlukast pharmacophore against chronic_kidney_failure pathway. aciclovir celiac_disease GAP_LOW 0.107 0.047619047619047616 fentanyl Low-priority: Computational docking aciclovir vs celiac_disease targets. Cross-check aciclovir pharmacophore against celiac_disease pathway. ethinyl_estradiol leprosy GAP_LOW 0.107 0.043478260869565216 menadione Low-priority: Computational docking ethinyl_estradiol vs leprosy targets. Cross-check ethinyl_estradiol pharmacophore against leprosy pathway. dexamethasone conduct_disorder GAP_HIGH 0.1069 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) l-tyrosine melanoma GAP_HIGH 0.1069 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in melanoma cell model. Expected: similar to procarbazine (Jaccard=0.27) clotrimazole sclerosing_cholangitis GAP_HIGH 0.1069 0.25925925925925924 diphenylpyraline High-priority: Binding assay clotrimazole→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.26) salicylic_acid thyroid_cancer GAP_HIGH 0.1069 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) cyclizine penile_cancer GAP_HIGH 0.1069 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) lisinopril ankylosing_spondylitis GAP_HIGH 0.1069 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in ankylosing_spondylitis cell model. Expected: similar to desipramine (Jaccard=0.18) estradiol_valeratedienogest creutzfeldt-jakob_disease GAP_HIGH 0.1069 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) s-adenosylmethionine melanoma GAP_HIGH 0.1069 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in melanoma cell model. Expected: similar to lamivudine (Jaccard=0.17) probenecid vulva_cancer GAP_HIGH 0.1069 0.16666666666666666 mitiglinide High-priority: Binding assay probenecid→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) alvimopan malignant_mesothelioma GAP_HIGH 0.1069 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.16) l-glutamine multiple_sclerosis GAP_HIGH 0.1069 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in multiple_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.15) furosemide vitiligo GAP_LOW 0.1069 0.14285714285714285 diclofenamide Low-priority: Computational docking furosemide vs vitiligo targets. Cross-check furosemide pharmacophore against vitiligo pathway. olanzapine thyroid_cancer GAP_LOW 0.1069 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs thyroid_cancer targets. Cross-check olanzapine pharmacophore against thyroid_cancer pathway. sulfamethizole epilepsy_syndrome GAP_LOW 0.1069 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs epilepsy_syndrome targets. Cross-check sulfamethizole pharmacophore against epilepsy_syndrome pathway. ketorolac focal_segmental_glomerulosclerosis GAP_LOW 0.1069 0.13333333333333333 mefenamic_acid Low-priority: Computational docking ketorolac vs focal_segmental_glomerulosclerosis targets. Cross-check ketorolac pharmacophore against focal_segmental_glomerulosclerosis pathway. pamidronate refractive_error GAP_LOW 0.1069 0.13333333333333333 polythiazide Low-priority: Computational docking pamidronate vs refractive_error targets. Cross-check pamidronate pharmacophore against refractive_error pathway. lidocaine chronic_kidney_failure GAP_LOW 0.1069 0.125 acetylsalicylic_acid Low-priority: Computational docking lidocaine vs chronic_kidney_failure targets. Cross-check lidocaine pharmacophore against chronic_kidney_failure pathway. indapamide larynx_cancer GAP_LOW 0.1069 0.1 procarbazine Low-priority: Computational docking indapamide vs larynx_cancer targets. Cross-check indapamide pharmacophore against larynx_cancer pathway. levonorgestrel glaucoma GAP_LOW 0.1069 0.1 choline Low-priority: Computational docking levonorgestrel vs glaucoma targets. Cross-check levonorgestrel pharmacophore against glaucoma pathway. anileridine atherosclerosis GAP_LOW 0.1069 0.09523809523809523 warfarin Low-priority: Computational docking anileridine vs atherosclerosis targets. Cross-check anileridine pharmacophore against atherosclerosis pathway. quinethazone larynx_cancer GAP_LOW 0.1069 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs larynx_cancer targets. Cross-check quinethazone pharmacophore against larynx_cancer pathway. procaine alcohol_dependence GAP_LOW 0.1069 0.07142857142857142 levorphanol Low-priority: Computational docking procaine vs alcohol_dependence targets. Cross-check procaine pharmacophore against alcohol_dependence pathway. dyphylline asthma GAP_LOW 0.1069 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs asthma targets. Cross-check dyphylline pharmacophore against asthma pathway. ergocalciferol gilles_de_la_tourette_syndrome GAP_LOW 0.1069 0.0625 anileridine Low-priority: Computational docking ergocalciferol vs gilles_de_la_tourette_syndrome targets. Cross-check ergocalciferol pharmacophore against gilles_de_la_tourette_syndrome pathway. l-cysteine multiple_sclerosis GAP_LOW 0.1069 0.044444444444444446 cyclopentolate Low-priority: Computational docking l-cysteine vs multiple_sclerosis targets. Cross-check l-cysteine pharmacophore against multiple_sclerosis pathway. vapreotide penile_cancer GAP_LOW 0.1069 0.043478260869565216 prednisone Low-priority: Computational docking vapreotide vs penile_cancer targets. Cross-check vapreotide pharmacophore against penile_cancer pathway. vorinostat hepatitis_b GAP_LOW 0.1069 0.02857142857142857 adenosine_triphosphate Low-priority: Computational docking vorinostat vs hepatitis_b targets. Cross-check vorinostat pharmacophore against hepatitis_b pathway. l-methionine prostate_cancer GAP_LOW 0.1069 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs prostate_cancer targets. Cross-check l-methionine pharmacophore against prostate_cancer pathway. mannitol asthma GAP_LOW 0.1069 0.0 cinolazepam Low-priority: Computational docking mannitol vs asthma targets. Cross-check mannitol pharmacophore against asthma pathway. mannitol breast_cancer GAP_LOW 0.1069 0.0 flurazepam Low-priority: Computational docking mannitol vs breast_cancer targets. Cross-check mannitol pharmacophore against breast_cancer pathway. mannitol conduct_disorder GAP_LOW 0.1069 0.0 flurazepam Low-priority: Computational docking mannitol vs conduct_disorder targets. Cross-check mannitol pharmacophore against conduct_disorder pathway. mannitol panic_disorder GAP_LOW 0.1069 0.0 flurazepam Low-priority: Computational docking mannitol vs panic_disorder targets. Cross-check mannitol pharmacophore against panic_disorder pathway. mannitol schizophrenia GAP_LOW 0.1069 0.0 flurazepam Low-priority: Computational docking mannitol vs schizophrenia targets. Cross-check mannitol pharmacophore against schizophrenia pathway. thiothixene urinary_bladder_cancer GAP_HIGH 0.1068 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in urinary_bladder_cancer cell model. Expected: similar to ethopropazine (Jaccard=0.33) dexamethasone hypertension GAP_HIGH 0.1068 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in hypertension cell model. Expected: similar to l-arginine (Jaccard=0.27) amitriptyline focal_segmental_glomerulosclerosis GAP_HIGH 0.1068 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to alimemazine (Jaccard=0.23) vinblastine attention_deficit_hyperactivity_disorder GAP_HIGH 0.1068 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to epinastine (Jaccard=0.20) afatinib obesity GAP_HIGH 0.1068 0.1875 captopril High-priority: Binding assay afatinib→?; validate in obesity cell model. Expected: similar to captopril (Jaccard=0.19) s-adenosylmethionine duodenum_cancer GAP_HIGH 0.1068 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in duodenum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) s-adenosylmethionine gallbladder_cancer GAP_HIGH 0.1068 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in gallbladder_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) salicylic_acid hepatitis_b GAP_HIGH 0.1068 0.16666666666666666 mitiglinide High-priority: Binding assay salicylic_acid→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.17) diclofenac idiopathic_pulmonary_fibrosis GAP_HIGH 0.1068 0.16 pseudoephedrine High-priority: Binding assay diclofenac→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) enalapril lung_cancer GAP_LOW 0.1068 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs lung_cancer targets. Cross-check enalapril pharmacophore against lung_cancer pathway. enalapril rectum_cancer GAP_LOW 0.1068 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs rectum_cancer targets. Cross-check enalapril pharmacophore against rectum_cancer pathway. teniposide refractive_error GAP_LOW 0.1068 0.14285714285714285 acetazolamide Low-priority: Computational docking teniposide vs refractive_error targets. Cross-check teniposide pharmacophore against refractive_error pathway. adenine malignant_mesothelioma GAP_LOW 0.1068 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs malignant_mesothelioma targets. Cross-check adenine pharmacophore against malignant_mesothelioma pathway. sulfamethizole hematologic_cancer GAP_LOW 0.1068 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs hematologic_cancer targets. Cross-check sulfamethizole pharmacophore against hematologic_cancer pathway. abacavir ovarian_cancer GAP_LOW 0.1068 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs ovarian_cancer targets. Cross-check abacavir pharmacophore against ovarian_cancer pathway. olanzapine azoospermia GAP_LOW 0.1068 0.11538461538461539 chlorcyclizine Low-priority: Computational docking olanzapine vs azoospermia targets. Cross-check olanzapine pharmacophore against azoospermia pathway. practolol meningioma GAP_LOW 0.1068 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs meningioma targets. Cross-check practolol pharmacophore against meningioma pathway. adinazolam peripheral_nervous_system_neoplasm GAP_LOW 0.1068 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs peripheral_nervous_system_neoplasm targets. Cross-check adinazolam pharmacophore against peripheral_nervous_system_neoplasm pathway. adinazolam urinary_bladder_cancer GAP_LOW 0.1068 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs urinary_bladder_cancer targets. Cross-check adinazolam pharmacophore against urinary_bladder_cancer pathway. hydromorphone glaucoma GAP_LOW 0.1068 0.09090909090909091 practolol Low-priority: Computational docking hydromorphone vs glaucoma targets. Cross-check hydromorphone pharmacophore against glaucoma pathway. pralatrexate alopecia_areata GAP_LOW 0.1068 0.07692307692307693 dexamethasone Low-priority: Computational docking pralatrexate vs alopecia_areata targets. Cross-check pralatrexate pharmacophore against alopecia_areata pathway. dyphylline colon_cancer GAP_LOW 0.1068 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs colon_cancer targets. Cross-check dyphylline pharmacophore against colon_cancer pathway. norethindrone leprosy GAP_LOW 0.1068 0.0625 menadione Low-priority: Computational docking norethindrone vs leprosy targets. Cross-check norethindrone pharmacophore against leprosy pathway. masoprocol leprosy GAP_LOW 0.1068 0.047619047619047616 sulfamethizole Low-priority: Computational docking masoprocol vs leprosy targets. Cross-check masoprocol pharmacophore against leprosy pathway. tamsulosin lymphatic_system_cancer GAP_LOW 0.1068 0.029411764705882353 riboflavin Low-priority: Computational docking tamsulosin vs lymphatic_system_cancer targets. Cross-check tamsulosin pharmacophore against lymphatic_system_cancer pathway. beclomethasone pagets_disease_of_bone GAP_LOW 0.1068 0.0 ibandronate Low-priority: Computational docking beclomethasone vs pagets_disease_of_bone targets. Cross-check beclomethasone pharmacophore against pagets_disease_of_bone pathway. fluocinonide pagets_disease_of_bone GAP_LOW 0.1068 0.0 ibandronate Low-priority: Computational docking fluocinonide vs pagets_disease_of_bone targets. Cross-check fluocinonide pharmacophore against pagets_disease_of_bone pathway. fluoxymesterone pagets_disease_of_bone GAP_LOW 0.1068 0.0 ibandronate Low-priority: Computational docking fluoxymesterone vs pagets_disease_of_bone targets. Cross-check fluoxymesterone pharmacophore against pagets_disease_of_bone pathway. linaclotide head_and_neck_cancer GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs head_and_neck_cancer targets. Cross-check linaclotide pharmacophore against head_and_neck_cancer pathway. linaclotide malignant_glioma GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs malignant_glioma targets. Cross-check linaclotide pharmacophore against malignant_glioma pathway. mannitol allergic_rhinitis GAP_LOW 0.1068 0.0 flurazepam Low-priority: Computational docking mannitol vs allergic_rhinitis targets. Cross-check mannitol pharmacophore against allergic_rhinitis pathway. mannitol atopic_dermatitis GAP_LOW 0.1068 0.0 cinolazepam Low-priority: Computational docking mannitol vs atopic_dermatitis targets. Cross-check mannitol pharmacophore against atopic_dermatitis pathway. mannitol colon_cancer GAP_LOW 0.1068 0.0 flurazepam Low-priority: Computational docking mannitol vs colon_cancer targets. Cross-check mannitol pharmacophore against colon_cancer pathway. mannitol hypertension GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking mannitol vs hypertension targets. Cross-check mannitol pharmacophore against hypertension pathway. mannitol stomach_cancer GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking mannitol vs stomach_cancer targets. Cross-check mannitol pharmacophore against stomach_cancer pathway. quinacrine head_and_neck_cancer GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs head_and_neck_cancer targets. Cross-check quinacrine pharmacophore against head_and_neck_cancer pathway. quinacrine malignant_glioma GAP_LOW 0.1068 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs malignant_glioma targets. Cross-check quinacrine pharmacophore against malignant_glioma pathway. dexamethasone bipolar_disorder GAP_HIGH 0.1067 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.27) atomoxetine salivary_gland_cancer GAP_HIGH 0.1067 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) phenelzine ankylosing_spondylitis GAP_HIGH 0.1067 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.23) tamoxifen malaria GAP_HIGH 0.1067 0.23076923076923078 modafinil High-priority: Binding assay tamoxifen→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.23) cinnarizine rectum_cancer GAP_HIGH 0.1067 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in rectum_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) ketoprofen pharynx_cancer GAP_HIGH 0.1067 0.2 metipranolol High-priority: Binding assay ketoprofen→?; validate in pharynx_cancer cell model. Expected: similar to metipranolol (Jaccard=0.20) phenelzine kidney_cancer GAP_HIGH 0.1067 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) naproxen prostate_cancer GAP_HIGH 0.1067 0.1951219512195122 fenoprofen High-priority: Binding assay naproxen→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.20) ifenprodil focal_segmental_glomerulosclerosis GAP_HIGH 0.1067 0.18518518518518517 bevantolol High-priority: Binding assay ifenprodil→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to bevantolol (Jaccard=0.19) sulfapyridine penile_cancer GAP_HIGH 0.1067 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) enalapril liver_cancer GAP_LOW 0.1067 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs liver_cancer targets. Cross-check enalapril pharmacophore against liver_cancer pathway. medroxyprogesterone_acetate parkinsons_disease GAP_LOW 0.1067 0.14285714285714285 raloxifene Low-priority: Computational docking medroxyprogesterone_acetate vs parkinsons_disease targets. Cross-check medroxyprogesterone_acetate pharmacophore against parkinsons_disease pathway. sulfamethizole salivary_gland_cancer GAP_LOW 0.1067 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs salivary_gland_cancer targets. Cross-check sulfamethizole pharmacophore against salivary_gland_cancer pathway. bromodiphenhydramine atherosclerosis GAP_LOW 0.1067 0.13333333333333333 warfarin Low-priority: Computational docking bromodiphenhydramine vs atherosclerosis targets. Cross-check bromodiphenhydramine pharmacophore against atherosclerosis pathway. imipramine glaucoma GAP_LOW 0.1067 0.1111111111111111 choline Low-priority: Computational docking imipramine vs glaucoma targets. Cross-check imipramine pharmacophore against glaucoma pathway. desogestrel refractive_error GAP_LOW 0.1067 0.09090909090909091 choline Low-priority: Computational docking desogestrel vs refractive_error targets. Cross-check desogestrel pharmacophore against refractive_error pathway. furosemide glaucoma GAP_LOW 0.1067 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs glaucoma targets. Cross-check furosemide pharmacophore against glaucoma pathway. trilostane focal_segmental_glomerulosclerosis GAP_LOW 0.1067 0.09090909090909091 calcitriol Low-priority: Computational docking trilostane vs focal_segmental_glomerulosclerosis targets. Cross-check trilostane pharmacophore against focal_segmental_glomerulosclerosis pathway. alitretinoin glaucoma GAP_LOW 0.1067 0.08333333333333333 choline Low-priority: Computational docking alitretinoin vs glaucoma targets. Cross-check alitretinoin pharmacophore against glaucoma pathway. calcitriol penile_cancer GAP_LOW 0.1067 0.07692307692307693 estrone Low-priority: Computational docking calcitriol vs penile_cancer targets. Cross-check calcitriol pharmacophore against penile_cancer pathway. cinchocaine chronic_kidney_failure GAP_LOW 0.1067 0.07692307692307693 moricizine Low-priority: Computational docking cinchocaine vs chronic_kidney_failure targets. Cross-check cinchocaine pharmacophore against chronic_kidney_failure pathway. cytarabine metabolic_syndrome_x GAP_LOW 0.1067 0.07692307692307693 lidocaine Low-priority: Computational docking cytarabine vs metabolic_syndrome_x targets. Cross-check cytarabine pharmacophore against metabolic_syndrome_x pathway. stanozolol gilles_de_la_tourette_syndrome GAP_LOW 0.1067 0.07692307692307693 carbinoxamine Low-priority: Computational docking stanozolol vs gilles_de_la_tourette_syndrome targets. Cross-check stanozolol pharmacophore against gilles_de_la_tourette_syndrome pathway. diclofenamide azoospermia GAP_LOW 0.1067 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs azoospermia targets. Cross-check diclofenamide pharmacophore against azoospermia pathway. alfacalcidol gilles_de_la_tourette_syndrome GAP_LOW 0.1067 0.06666666666666667 anileridine Low-priority: Computational docking alfacalcidol vs gilles_de_la_tourette_syndrome targets. Cross-check alfacalcidol pharmacophore against gilles_de_la_tourette_syndrome pathway. dyphylline stomach_cancer GAP_LOW 0.1067 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs stomach_cancer targets. Cross-check dyphylline pharmacophore against stomach_cancer pathway. etidronic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.1067 0.06666666666666667 nateglinide Low-priority: Computational docking etidronic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check etidronic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. l-methionine obesity GAP_LOW 0.1067 0.05 l-lysine Low-priority: Computational docking l-methionine vs obesity targets. Cross-check l-methionine pharmacophore against obesity pathway. isoetarine hepatitis_b GAP_LOW 0.1067 0.047619047619047616 ribavirin Low-priority: Computational docking isoetarine vs hepatitis_b targets. Cross-check isoetarine pharmacophore against hepatitis_b pathway. vapreotide malignant_mesothelioma GAP_LOW 0.1067 0.043478260869565216 prednisone Low-priority: Computational docking vapreotide vs malignant_mesothelioma targets. Cross-check vapreotide pharmacophore against malignant_mesothelioma pathway. imatinib lymphatic_system_cancer GAP_LOW 0.1067 0.034482758620689655 vinblastine Low-priority: Computational docking imatinib vs lymphatic_system_cancer targets. Cross-check imatinib pharmacophore against lymphatic_system_cancer pathway. adenosine_monophosphate bone_cancer GAP_LOW 0.1067 0.03076923076923077 tetrahydrofolic_acid Low-priority: Computational docking adenosine_monophosphate vs bone_cancer targets. Cross-check adenosine_monophosphate pharmacophore against bone_cancer pathway. l-methionine mediastinal_cancer GAP_LOW 0.1067 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs mediastinal_cancer targets. Cross-check l-methionine pharmacophore against mediastinal_cancer pathway. l-methionine primary_biliary_cirrhosis GAP_LOW 0.1067 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs primary_biliary_cirrhosis targets. Cross-check l-methionine pharmacophore against primary_biliary_cirrhosis pathway. l-aspartic_acid kidney_cancer GAP_LOW 0.1067 0.0 oxybuprocaine Low-priority: Computational docking l-aspartic_acid vs kidney_cancer targets. Cross-check l-aspartic_acid pharmacophore against kidney_cancer pathway. linaclotide kidney_cancer GAP_LOW 0.1067 0.0 oxybuprocaine Low-priority: Computational docking linaclotide vs kidney_cancer targets. Cross-check linaclotide pharmacophore against kidney_cancer pathway. mannitol bipolar_disorder GAP_LOW 0.1067 0.0 flurazepam Low-priority: Computational docking mannitol vs bipolar_disorder targets. Cross-check mannitol pharmacophore against bipolar_disorder pathway. mannitol endogenous_depression GAP_LOW 0.1067 0.0 flurazepam Low-priority: Computational docking mannitol vs endogenous_depression targets. Cross-check mannitol pharmacophore against endogenous_depression pathway. mannitol pancreatic_cancer GAP_LOW 0.1067 0.0 hydrocortisone Low-priority: Computational docking mannitol vs pancreatic_cancer targets. Cross-check mannitol pharmacophore against pancreatic_cancer pathway. mannitol ulcerative_colitis GAP_LOW 0.1067 0.0 loxapine Low-priority: Computational docking mannitol vs ulcerative_colitis targets. Cross-check mannitol pharmacophore against ulcerative_colitis pathway. loperamide germ_cell_cancer GAP_HIGH 0.1066 0.2916666666666667 toremifene High-priority: Binding assay loperamide→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.29) dexamethasone endogenous_depression GAP_HIGH 0.1066 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.27) phenytoin kidney_cancer GAP_HIGH 0.1066 0.2727272727272727 quinacrine High-priority: Binding assay phenytoin→?; validate in kidney_cancer cell model. Expected: similar to quinacrine (Jaccard=0.27) phenprocoumon salivary_gland_cancer GAP_HIGH 0.1066 0.2222222222222222 modafinil High-priority: Binding assay phenprocoumon→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.22) gemcitabine metabolic_syndrome_x GAP_HIGH 0.1066 0.2 trimethoprim High-priority: Binding assay gemcitabine→?; validate in metabolic_syndrome_x cell model. Expected: similar to trimethoprim (Jaccard=0.20) floctafenine creutzfeldt-jakob_disease GAP_HIGH 0.1066 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) phenelzine larynx_cancer GAP_HIGH 0.1066 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in larynx_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) glucosamine creutzfeldt-jakob_disease GAP_HIGH 0.1066 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) afatinib crohns_disease GAP_HIGH 0.1066 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in crohns_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) pimozide osteoarthritis GAP_HIGH 0.1066 0.15789473684210525 fentanyl High-priority: Binding assay pimozide→?; validate in osteoarthritis cell model. Expected: similar to fentanyl (Jaccard=0.16) olanzapine salivary_gland_cancer GAP_LOW 0.1066 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs salivary_gland_cancer targets. Cross-check olanzapine pharmacophore against salivary_gland_cancer pathway. chlorphenesin duodenum_cancer GAP_LOW 0.1066 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs duodenum_cancer targets. Cross-check chlorphenesin pharmacophore against duodenum_cancer pathway. chlorphenesin gallbladder_cancer GAP_LOW 0.1066 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs gallbladder_cancer targets. Cross-check chlorphenesin pharmacophore against gallbladder_cancer pathway. cyproterone_acetate refractive_error GAP_LOW 0.1066 0.125 dinoprost_tromethamine Low-priority: Computational docking cyproterone_acetate vs refractive_error targets. Cross-check cyproterone_acetate pharmacophore against refractive_error pathway. olanzapine meningioma GAP_LOW 0.1066 0.125 alendronate Low-priority: Computational docking olanzapine vs meningioma targets. Cross-check olanzapine pharmacophore against meningioma pathway. practolol crohns_disease GAP_LOW 0.1066 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs crohns_disease targets. Cross-check practolol pharmacophore against crohns_disease pathway. abacavir head_and_neck_cancer GAP_LOW 0.1066 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs head_and_neck_cancer targets. Cross-check abacavir pharmacophore against head_and_neck_cancer pathway. abacavir malignant_glioma GAP_LOW 0.1066 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs malignant_glioma targets. Cross-check abacavir pharmacophore against malignant_glioma pathway. adinazolam idiopathic_pulmonary_fibrosis GAP_LOW 0.1066 0.09090909090909091 anisotropine_methylbromide Low-priority: Computational docking adinazolam vs idiopathic_pulmonary_fibrosis targets. Cross-check adinazolam pharmacophore against idiopathic_pulmonary_fibrosis pathway. chlorpropamide alzheimers_disease GAP_LOW 0.1066 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs alzheimers_disease targets. Cross-check chlorpropamide pharmacophore against alzheimers_disease pathway. chlorpropamide parkinsons_disease GAP_LOW 0.1066 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs parkinsons_disease targets. Cross-check chlorpropamide pharmacophore against parkinsons_disease pathway. dihydrotachysterol thymus_cancer GAP_LOW 0.1066 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs thymus_cancer targets. Cross-check dihydrotachysterol pharmacophore against thymus_cancer pathway. paricalcitol duodenum_cancer GAP_LOW 0.1066 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs duodenum_cancer targets. Cross-check paricalcitol pharmacophore against duodenum_cancer pathway. paricalcitol gallbladder_cancer GAP_LOW 0.1066 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs gallbladder_cancer targets. Cross-check paricalcitol pharmacophore against gallbladder_cancer pathway. paricalcitol melanoma GAP_LOW 0.1066 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs melanoma targets. Cross-check paricalcitol pharmacophore against melanoma pathway. vitamin_a conduct_disorder GAP_LOW 0.1066 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs conduct_disorder targets. Cross-check vitamin_a pharmacophore against conduct_disorder pathway. vitamin_a panic_disorder GAP_LOW 0.1066 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs panic_disorder targets. Cross-check vitamin_a pharmacophore against panic_disorder pathway. vitamin_a schizophrenia GAP_LOW 0.1066 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs schizophrenia targets. Cross-check vitamin_a pharmacophore against schizophrenia pathway. cinchocaine membranous_glomerulonephritis GAP_LOW 0.1066 0.08333333333333333 mitiglinide Low-priority: Computational docking cinchocaine vs membranous_glomerulonephritis targets. Cross-check cinchocaine pharmacophore against membranous_glomerulonephritis pathway. desmopressin lung_cancer GAP_LOW 0.1066 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs lung_cancer targets. Cross-check desmopressin pharmacophore against lung_cancer pathway. desmopressin rectum_cancer GAP_LOW 0.1066 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs rectum_cancer targets. Cross-check desmopressin pharmacophore against rectum_cancer pathway. suprofen dilated_cardiomyopathy GAP_LOW 0.1066 0.08333333333333333 pefloxacin Low-priority: Computational docking suprofen vs dilated_cardiomyopathy targets. Cross-check suprofen pharmacophore against dilated_cardiomyopathy pathway. sulfapyridine dilated_cardiomyopathy GAP_LOW 0.1066 0.07692307692307693 trandolapril Low-priority: Computational docking sulfapyridine vs dilated_cardiomyopathy targets. Cross-check sulfapyridine pharmacophore against dilated_cardiomyopathy pathway. clotiazepam malignant_mesothelioma GAP_LOW 0.1066 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs malignant_mesothelioma targets. Cross-check clotiazepam pharmacophore against malignant_mesothelioma pathway. zafirlukast membranous_glomerulonephritis GAP_LOW 0.1066 0.07142857142857142 aciclovir Low-priority: Computational docking zafirlukast vs membranous_glomerulonephritis targets. Cross-check zafirlukast pharmacophore against membranous_glomerulonephritis pathway. dyphylline ulcerative_colitis GAP_LOW 0.1066 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking dyphylline vs ulcerative_colitis targets. Cross-check dyphylline pharmacophore against ulcerative_colitis pathway. l-cysteine type_2_diabetes_mellitus GAP_LOW 0.1066 0.05 l-lysine Low-priority: Computational docking l-cysteine vs type_2_diabetes_mellitus targets. Cross-check l-cysteine pharmacophore against type_2_diabetes_mellitus pathway. l-cysteine vitiligo GAP_LOW 0.1066 0.05 l-lysine Low-priority: Computational docking l-cysteine vs vitiligo targets. Cross-check l-cysteine pharmacophore against vitiligo pathway. l-methionine thymus_cancer GAP_LOW 0.1066 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs thymus_cancer targets. Cross-check l-methionine pharmacophore against thymus_cancer pathway. fulvestrant leprosy GAP_LOW 0.1066 0.021739130434782608 phensuximide Low-priority: Computational docking fulvestrant vs leprosy targets. Cross-check fulvestrant pharmacophore against leprosy pathway. acetic_acid esophageal_cancer GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs esophageal_cancer targets. Cross-check acetic_acid pharmacophore against esophageal_cancer pathway. afatinib leprosy GAP_LOW 0.1066 0.0 sulfapyridine Low-priority: Computational docking afatinib vs leprosy targets. Cross-check afatinib pharmacophore against leprosy pathway. hydrochlorothiazide dilated_cardiomyopathy GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking hydrochlorothiazide vs dilated_cardiomyopathy targets. Cross-check hydrochlorothiazide pharmacophore against dilated_cardiomyopathy pathway. l-phenylalanine leprosy GAP_LOW 0.1066 0.0 sulfapyridine Low-priority: Computational docking l-phenylalanine vs leprosy targets. Cross-check l-phenylalanine pharmacophore against leprosy pathway. linaclotide nephrolithiasis GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs nephrolithiasis targets. Cross-check linaclotide pharmacophore against nephrolithiasis pathway. linaclotide refractive_error GAP_LOW 0.1066 0.0 pirbuterol Low-priority: Computational docking linaclotide vs refractive_error targets. Cross-check linaclotide pharmacophore against refractive_error pathway. mannitol multiple_sclerosis GAP_LOW 0.1066 0.0 flurazepam Low-priority: Computational docking mannitol vs multiple_sclerosis targets. Cross-check mannitol pharmacophore against multiple_sclerosis pathway. mannitol osteoporosis GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking mannitol vs osteoporosis targets. Cross-check mannitol pharmacophore against osteoporosis pathway. mannitol ovarian_cancer GAP_LOW 0.1066 0.0 flurazepam Low-priority: Computational docking mannitol vs ovarian_cancer targets. Cross-check mannitol pharmacophore against ovarian_cancer pathway. mannitol psoriasis GAP_LOW 0.1066 0.0 loxapine Low-priority: Computational docking mannitol vs psoriasis targets. Cross-check mannitol pharmacophore against psoriasis pathway. mannitol uterine_cancer GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking mannitol vs uterine_cancer targets. Cross-check mannitol pharmacophore against uterine_cancer pathway. phenformin leprosy GAP_LOW 0.1066 0.0 sulfapyridine Low-priority: Computational docking phenformin vs leprosy targets. Cross-check phenformin pharmacophore against leprosy pathway. remifentanil dilated_cardiomyopathy GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking remifentanil vs dilated_cardiomyopathy targets. Cross-check remifentanil pharmacophore against dilated_cardiomyopathy pathway. streptozocin esophageal_cancer GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs esophageal_cancer targets. Cross-check streptozocin pharmacophore against esophageal_cancer pathway. telbivudine leprosy GAP_LOW 0.1066 0.0 sulfapyridine Low-priority: Computational docking telbivudine vs leprosy targets. Cross-check telbivudine pharmacophore against leprosy pathway. telmisartan dilated_cardiomyopathy GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking telmisartan vs dilated_cardiomyopathy targets. Cross-check telmisartan pharmacophore against dilated_cardiomyopathy pathway. vitamin_a dilated_cardiomyopathy GAP_LOW 0.1066 0.0 hydrocortisone Low-priority: Computational docking vitamin_a vs dilated_cardiomyopathy targets. Cross-check vitamin_a pharmacophore against dilated_cardiomyopathy pathway. chlorprothixene malignant_mesothelioma GAP_HIGH 0.1065 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.26) clozapine thyroid_cancer GAP_HIGH 0.1065 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) alimemazine type_1_diabetes_mellitus GAP_HIGH 0.1065 0.23076923076923078 benzatropine High-priority: Binding assay alimemazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.23) salicylic_acid salivary_gland_cancer GAP_HIGH 0.1065 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) cinnarizine liver_cancer GAP_HIGH 0.1065 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in liver_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) ketoprofen thyroid_cancer GAP_HIGH 0.1065 0.2 metipranolol High-priority: Binding assay ketoprofen→?; validate in thyroid_cancer cell model. Expected: similar to metipranolol (Jaccard=0.20) vinblastine asthma GAP_HIGH 0.1065 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in asthma cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine panic_disorder GAP_HIGH 0.1065 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in panic_disorder cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine schizophrenia GAP_HIGH 0.1065 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in schizophrenia cell model. Expected: similar to epinastine (Jaccard=0.20) carbinoxamine malaria GAP_HIGH 0.1065 0.1875 warfarin High-priority: Binding assay carbinoxamine→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.19) s-adenosylmethionine sclerosing_cholangitis GAP_HIGH 0.1065 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in sclerosing_cholangitis cell model. Expected: similar to lamivudine (Jaccard=0.17) testosterone amyotrophic_lateral_sclerosis GAP_HIGH 0.1065 0.16666666666666666 fludrocortisone High-priority: Binding assay testosterone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.17) diclofenac hematologic_cancer GAP_HIGH 0.1065 0.16129032258064516 flurbiprofen High-priority: Binding assay diclofenac→?; validate in hematologic_cancer cell model. Expected: similar to flurbiprofen (Jaccard=0.16) sulfapyridine malignant_mesothelioma GAP_HIGH 0.1065 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.16) suprofen hepatitis_b GAP_LOW 0.1065 0.14285714285714285 alvimopan Low-priority: Computational docking suprofen vs hepatitis_b targets. Cross-check suprofen pharmacophore against hepatitis_b pathway. teniposide chronic_kidney_failure GAP_LOW 0.1065 0.14285714285714285 amsacrine Low-priority: Computational docking teniposide vs chronic_kidney_failure targets. Cross-check teniposide pharmacophore against chronic_kidney_failure pathway. l-tryptophan chronic_kidney_failure GAP_LOW 0.1065 0.13333333333333333 tiaprofenic_acid Low-priority: Computational docking l-tryptophan vs chronic_kidney_failure targets. Cross-check l-tryptophan pharmacophore against chronic_kidney_failure pathway. docetaxel lymphatic_system_cancer GAP_LOW 0.1065 0.125 vinblastine Low-priority: Computational docking docetaxel vs lymphatic_system_cancer targets. Cross-check docetaxel pharmacophore against lymphatic_system_cancer pathway. phenylbutazone leprosy GAP_LOW 0.1065 0.12244897959183673 phensuximide Low-priority: Computational docking phenylbutazone vs leprosy targets. Cross-check phenylbutazone pharmacophore against leprosy pathway. indapamide azoospermia GAP_LOW 0.1065 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs azoospermia targets. Cross-check indapamide pharmacophore against azoospermia pathway. tolmetin nephrolithiasis GAP_LOW 0.1065 0.11538461538461539 hydrocortisone Low-priority: Computational docking tolmetin vs nephrolithiasis targets. Cross-check tolmetin pharmacophore against nephrolithiasis pathway. selegiline chronic_kidney_failure GAP_LOW 0.1065 0.1111111111111111 amitriptyline Low-priority: Computational docking selegiline vs chronic_kidney_failure targets. Cross-check selegiline pharmacophore against chronic_kidney_failure pathway. phenelzine alcohol_dependence GAP_LOW 0.1065 0.10638297872340426 mazindol Low-priority: Computational docking phenelzine vs alcohol_dependence targets. Cross-check phenelzine pharmacophore against alcohol_dependence pathway. crizotinib lymphatic_system_cancer GAP_LOW 0.1065 0.10344827586206896 glucosamine Low-priority: Computational docking crizotinib vs lymphatic_system_cancer targets. Cross-check crizotinib pharmacophore against lymphatic_system_cancer pathway. conjugated_estrogens narcolepsy GAP_LOW 0.1065 0.1 tamoxifen Low-priority: Computational docking conjugated_estrogens vs narcolepsy targets. Cross-check conjugated_estrogens pharmacophore against narcolepsy pathway. paricalcitol stomach_cancer GAP_LOW 0.1065 0.1 pasireotide Low-priority: Computational docking paricalcitol vs stomach_cancer targets. Cross-check paricalcitol pharmacophore against stomach_cancer pathway. proparacaine salivary_gland_cancer GAP_LOW 0.1065 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs salivary_gland_cancer targets. Cross-check proparacaine pharmacophore against salivary_gland_cancer pathway. chlorpropamide amyotrophic_lateral_sclerosis GAP_LOW 0.1065 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs amyotrophic_lateral_sclerosis targets. Cross-check chlorpropamide pharmacophore against amyotrophic_lateral_sclerosis pathway. chlorpropamide autistic_disorder GAP_LOW 0.1065 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs autistic_disorder targets. Cross-check chlorpropamide pharmacophore against autistic_disorder pathway. chlorpropamide nicotine_dependence GAP_LOW 0.1065 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs nicotine_dependence targets. Cross-check chlorpropamide pharmacophore against nicotine_dependence pathway. etidronic_acid esophageal_cancer GAP_LOW 0.1065 0.09090909090909091 etoricoxib Low-priority: Computational docking etidronic_acid vs esophageal_cancer targets. Cross-check etidronic_acid pharmacophore against esophageal_cancer pathway. furosemide intracranial_aneurysm GAP_LOW 0.1065 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs intracranial_aneurysm targets. Cross-check furosemide pharmacophore against intracranial_aneurysm pathway. ribavirin glaucoma GAP_LOW 0.1065 0.08 l-carnitine Low-priority: Computational docking ribavirin vs glaucoma targets. Cross-check ribavirin pharmacophore against glaucoma pathway. anisotropine_methylbromide malaria GAP_LOW 0.1065 0.07692307692307693 caffeine Low-priority: Computational docking anisotropine_methylbromide vs malaria targets. Cross-check anisotropine_methylbromide pharmacophore against malaria pathway. dyphylline ovarian_cancer GAP_LOW 0.1065 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs ovarian_cancer targets. Cross-check dyphylline pharmacophore against ovarian_cancer pathway. dyphylline uterine_cancer GAP_LOW 0.1065 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs uterine_cancer targets. Cross-check dyphylline pharmacophore against uterine_cancer pathway. practolol malaria GAP_LOW 0.1065 0.06666666666666667 sulfamethizole Low-priority: Computational docking practolol vs malaria targets. Cross-check practolol pharmacophore against malaria pathway. calcitriol gilles_de_la_tourette_syndrome GAP_LOW 0.1065 0.058823529411764705 anileridine Low-priority: Computational docking calcitriol vs gilles_de_la_tourette_syndrome targets. Cross-check calcitriol pharmacophore against gilles_de_la_tourette_syndrome pathway. desmopressin germ_cell_cancer GAP_LOW 0.1065 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs germ_cell_cancer targets. Cross-check desmopressin pharmacophore against germ_cell_cancer pathway. sulfadiazine alcohol_dependence GAP_LOW 0.1065 0.05555555555555555 midazolam Low-priority: Computational docking sulfadiazine vs alcohol_dependence targets. Cross-check sulfadiazine pharmacophore against alcohol_dependence pathway. tamsulosin larynx_cancer GAP_LOW 0.1065 0.045454545454545456 epirubicin Low-priority: Computational docking tamsulosin vs larynx_cancer targets. Cross-check tamsulosin pharmacophore against larynx_cancer pathway. chlorcyclizine pagets_disease_of_bone GAP_LOW 0.1065 0.0 ibandronate Low-priority: Computational docking chlorcyclizine vs pagets_disease_of_bone targets. Cross-check chlorcyclizine pharmacophore against pagets_disease_of_bone pathway. ethopropazine pagets_disease_of_bone GAP_LOW 0.1065 0.0 ibandronate Low-priority: Computational docking ethopropazine vs pagets_disease_of_bone targets. Cross-check ethopropazine pharmacophore against pagets_disease_of_bone pathway. mannitol migraine GAP_LOW 0.1065 0.0 flurazepam Low-priority: Computational docking mannitol vs migraine targets. Cross-check mannitol pharmacophore against migraine pathway. nabumetone larynx_cancer GAP_LOW 0.1065 0.0 vinblastine Low-priority: Computational docking nabumetone vs larynx_cancer targets. Cross-check nabumetone pharmacophore against larynx_cancer pathway. atomoxetine ocular_cancer GAP_HIGH 0.1064 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) clotrimazole ankylosing_spondylitis GAP_HIGH 0.1064 0.25925925925925924 diphenylpyraline High-priority: Binding assay clotrimazole→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.26) vinblastine atopic_dermatitis GAP_HIGH 0.1064 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in atopic_dermatitis cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine conduct_disorder GAP_HIGH 0.1064 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in conduct_disorder cell model. Expected: similar to epinastine (Jaccard=0.20) methamphetamine malignant_mesothelioma GAP_HIGH 0.1064 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.18) oxybuprocaine sclerosing_cholangitis GAP_HIGH 0.1064 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in sclerosing_cholangitis cell model. Expected: similar to modafinil (Jaccard=0.17) dimetacrine alcohol_dependence GAP_HIGH 0.1064 0.16666666666666666 levorphanol High-priority: Binding assay dimetacrine→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.17) tamoxifen alcohol_dependence GAP_HIGH 0.1064 0.16666666666666666 ethylmorphine High-priority: Binding assay tamoxifen→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.17) olanzapine muscle_cancer GAP_LOW 0.1064 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs muscle_cancer targets. Cross-check olanzapine pharmacophore against muscle_cancer pathway. clonazepam thyroid_cancer GAP_LOW 0.1064 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs thyroid_cancer targets. Cross-check clonazepam pharmacophore against thyroid_cancer pathway. alitretinoin duodenum_cancer GAP_LOW 0.1064 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs duodenum_cancer targets. Cross-check alitretinoin pharmacophore against duodenum_cancer pathway. alitretinoin gallbladder_cancer GAP_LOW 0.1064 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs gallbladder_cancer targets. Cross-check alitretinoin pharmacophore against gallbladder_cancer pathway. alitretinoin melanoma GAP_LOW 0.1064 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs melanoma targets. Cross-check alitretinoin pharmacophore against melanoma pathway. cladribine glaucoma GAP_LOW 0.1064 0.10526315789473684 l-carnitine Low-priority: Computational docking cladribine vs glaucoma targets. Cross-check cladribine pharmacophore against glaucoma pathway. methotrexate alcohol_dependence GAP_LOW 0.1064 0.1 naloxone Low-priority: Computational docking methotrexate vs alcohol_dependence targets. Cross-check methotrexate pharmacophore against alcohol_dependence pathway. paricalcitol pancreatic_cancer GAP_LOW 0.1064 0.1 pasireotide Low-priority: Computational docking paricalcitol vs pancreatic_cancer targets. Cross-check paricalcitol pharmacophore against pancreatic_cancer pathway. sulfamethizole focal_segmental_glomerulosclerosis GAP_LOW 0.1064 0.1 metolazone Low-priority: Computational docking sulfamethizole vs focal_segmental_glomerulosclerosis targets. Cross-check sulfamethizole pharmacophore against focal_segmental_glomerulosclerosis pathway. norelgestromin azoospermia GAP_LOW 0.1064 0.09090909090909091 dienestrol Low-priority: Computational docking norelgestromin vs azoospermia targets. Cross-check norelgestromin pharmacophore against azoospermia pathway. telmisartan germ_cell_cancer GAP_LOW 0.1064 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs germ_cell_cancer targets. Cross-check telmisartan pharmacophore against germ_cell_cancer pathway. vitamin_a bipolar_disorder GAP_LOW 0.1064 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs bipolar_disorder targets. Cross-check vitamin_a pharmacophore against bipolar_disorder pathway. chlorphenesin alopecia_areata GAP_LOW 0.1064 0.08333333333333333 fluticasone_propionate Low-priority: Computational docking chlorphenesin vs alopecia_areata targets. Cross-check chlorphenesin pharmacophore against alopecia_areata pathway. desmopressin liver_cancer GAP_LOW 0.1064 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs liver_cancer targets. Cross-check desmopressin pharmacophore against liver_cancer pathway. desmopressin parkinsons_disease GAP_LOW 0.1064 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs parkinsons_disease targets. Cross-check desmopressin pharmacophore against parkinsons_disease pathway. mitiglinide gestational_diabetes GAP_LOW 0.1064 0.07692307692307693 glimepiride Low-priority: Computational docking mitiglinide vs gestational_diabetes targets. Cross-check mitiglinide pharmacophore against gestational_diabetes pathway. sunitinib bone_cancer GAP_LOW 0.1064 0.07142857142857142 histamine_phosphate Low-priority: Computational docking sunitinib vs bone_cancer targets. Cross-check sunitinib pharmacophore against bone_cancer pathway. desmopressin crohns_disease GAP_LOW 0.1064 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs crohns_disease targets. Cross-check desmopressin pharmacophore against crohns_disease pathway. dyphylline sarcoma GAP_LOW 0.1064 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs sarcoma targets. Cross-check dyphylline pharmacophore against sarcoma pathway. ospemifene atherosclerosis GAP_LOW 0.1064 0.043478260869565216 phenylpropanolamine Low-priority: Computational docking ospemifene vs atherosclerosis targets. Cross-check ospemifene pharmacophore against atherosclerosis pathway. codeine alopecia_areata GAP_LOW 0.1064 0.041666666666666664 levorphanol Low-priority: Computational docking codeine vs alopecia_areata targets. Cross-check codeine pharmacophore against alopecia_areata pathway. dyphylline chronic_kidney_failure GAP_LOW 0.1064 0.034482758620689655 bevantolol Low-priority: Computational docking dyphylline vs chronic_kidney_failure targets. Cross-check dyphylline pharmacophore against chronic_kidney_failure pathway. fenbufen type_1_diabetes_mellitus GAP_LOW 0.1064 0.034482758620689655 bezafibrate Low-priority: Computational docking fenbufen vs type_1_diabetes_mellitus targets. Cross-check fenbufen pharmacophore against type_1_diabetes_mellitus pathway. l-cysteine mediastinal_cancer GAP_LOW 0.1064 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs mediastinal_cancer targets. Cross-check l-cysteine pharmacophore against mediastinal_cancer pathway. l-glutamine acquired_immunodeficiency_syndrome GAP_LOW 0.1064 0.015151515151515152 adenosine_monophosphate Low-priority: Computational docking l-glutamine vs acquired_immunodeficiency_syndrome targets. Cross-check l-glutamine pharmacophore against acquired_immunodeficiency_syndrome pathway. conivaptan melanoma GAP_LOW 0.1064 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs melanoma targets. Cross-check conivaptan pharmacophore against melanoma pathway. phenprocoumon ocular_cancer GAP_HIGH 0.1063 0.2222222222222222 modafinil High-priority: Binding assay phenprocoumon→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.22) salicylic_acid duodenum_cancer GAP_HIGH 0.1063 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.22) salicylic_acid gallbladder_cancer GAP_HIGH 0.1063 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.22) salicylic_acid melanoma GAP_HIGH 0.1063 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in melanoma cell model. Expected: similar to bromfenac (Jaccard=0.22) cinnarizine peripheral_nervous_system_neoplasm GAP_HIGH 0.1063 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to letrozole (Jaccard=0.20) vinblastine allergic_rhinitis GAP_HIGH 0.1063 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in allergic_rhinitis cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine bipolar_disorder GAP_HIGH 0.1063 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in bipolar_disorder cell model. Expected: similar to epinastine (Jaccard=0.20) l-serine refractive_error GAP_HIGH 0.1063 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in refractive_error cell model. Expected: similar to l-histidine (Jaccard=0.19) eplerenone alzheimers_disease GAP_HIGH 0.1063 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) estradiol_valeratedienogest epilepsy_syndrome GAP_HIGH 0.1063 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in epilepsy_syndrome cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) oxybuprocaine creutzfeldt-jakob_disease GAP_HIGH 0.1063 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to modafinil (Jaccard=0.17) naftifine alcohol_dependence GAP_LOW 0.1063 0.14814814814814814 levorphanol Low-priority: Computational docking naftifine vs alcohol_dependence targets. Cross-check naftifine pharmacophore against alcohol_dependence pathway. olanzapine ocular_cancer GAP_LOW 0.1063 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs ocular_cancer targets. Cross-check olanzapine pharmacophore against ocular_cancer pathway. sulfamethizole parkinsons_disease GAP_LOW 0.1063 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs parkinsons_disease targets. Cross-check sulfamethizole pharmacophore against parkinsons_disease pathway. drostanolone type_1_diabetes_mellitus GAP_LOW 0.1063 0.125 hydrocortisone Low-priority: Computational docking drostanolone vs type_1_diabetes_mellitus targets. Cross-check drostanolone pharmacophore against type_1_diabetes_mellitus pathway. tolmetin germ_cell_cancer GAP_LOW 0.1063 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs germ_cell_cancer targets. Cross-check tolmetin pharmacophore against germ_cell_cancer pathway. hydromorphone mediastinal_cancer GAP_LOW 0.1063 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs mediastinal_cancer targets. Cross-check hydromorphone pharmacophore against mediastinal_cancer pathway. hydromorphone azoospermia GAP_LOW 0.1063 0.1 aprindine Low-priority: Computational docking hydromorphone vs azoospermia targets. Cross-check hydromorphone pharmacophore against azoospermia pathway. chlordiazepoxide bone_cancer GAP_LOW 0.1063 0.09523809523809523 alendronate Low-priority: Computational docking chlordiazepoxide vs bone_cancer targets. Cross-check chlordiazepoxide pharmacophore against bone_cancer pathway. proparacaine ocular_cancer GAP_LOW 0.1063 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs ocular_cancer targets. Cross-check proparacaine pharmacophore against ocular_cancer pathway. calcitriol epilepsy_syndrome GAP_LOW 0.1063 0.09090909090909091 ketorolac Low-priority: Computational docking calcitriol vs epilepsy_syndrome targets. Cross-check calcitriol pharmacophore against epilepsy_syndrome pathway. chlorpropamide attention_deficit_hyperactivity_disorder GAP_LOW 0.1063 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs attention_deficit_hyperactivity_disorder targets. Cross-check chlorpropamide pharmacophore against attention_deficit_hyperactivity_disorder pathway. vitamin_a endogenous_depression GAP_LOW 0.1063 0.09090909090909091 naloxone Low-priority: Computational docking vitamin_a vs endogenous_depression targets. Cross-check vitamin_a pharmacophore against endogenous_depression pathway. desmopressin amyotrophic_lateral_sclerosis GAP_LOW 0.1063 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs amyotrophic_lateral_sclerosis targets. Cross-check desmopressin pharmacophore against amyotrophic_lateral_sclerosis pathway. cytarabine obesity GAP_LOW 0.1063 0.07692307692307693 lidocaine Low-priority: Computational docking cytarabine vs obesity targets. Cross-check cytarabine pharmacophore against obesity pathway. indomethacin mediastinal_cancer GAP_LOW 0.1063 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs mediastinal_cancer targets. Cross-check indomethacin pharmacophore against mediastinal_cancer pathway. aciclovir malignant_mesothelioma GAP_LOW 0.1063 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs malignant_mesothelioma targets. Cross-check aciclovir pharmacophore against malignant_mesothelioma pathway. salicylic_acid leprosy GAP_LOW 0.1063 0.038461538461538464 sulfapyridine Low-priority: Computational docking salicylic_acid vs leprosy targets. Cross-check salicylic_acid pharmacophore against leprosy pathway. l-methionine gout GAP_LOW 0.1063 0.022727272727272728 methotrexate Low-priority: Computational docking l-methionine vs gout targets. Cross-check l-methionine pharmacophore against gout pathway. l-cysteine thymus_cancer GAP_LOW 0.1063 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs thymus_cancer targets. Cross-check l-cysteine pharmacophore against thymus_cancer pathway. calcium_acetate malignant_mesothelioma GAP_LOW 0.1063 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs malignant_mesothelioma targets. Cross-check calcium_acetate pharmacophore against malignant_mesothelioma pathway. clocortolone pagets_disease_of_bone GAP_LOW 0.1063 0.0 ibandronate Low-priority: Computational docking clocortolone vs pagets_disease_of_bone targets. Cross-check clocortolone pharmacophore against pagets_disease_of_bone pathway. conivaptan duodenum_cancer GAP_LOW 0.1063 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs duodenum_cancer targets. Cross-check conivaptan pharmacophore against duodenum_cancer pathway. conivaptan gallbladder_cancer GAP_LOW 0.1063 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs gallbladder_cancer targets. Cross-check conivaptan pharmacophore against gallbladder_cancer pathway. difluprednate pagets_disease_of_bone GAP_LOW 0.1063 0.0 ibandronate Low-priority: Computational docking difluprednate vs pagets_disease_of_bone targets. Cross-check difluprednate pharmacophore against pagets_disease_of_bone pathway. l-asparagine chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking l-asparagine vs chronic_kidney_failure targets. Cross-check l-asparagine pharmacophore against chronic_kidney_failure pathway. l-aspartic_acid chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking l-aspartic_acid vs chronic_kidney_failure targets. Cross-check l-aspartic_acid pharmacophore against chronic_kidney_failure pathway. l-cysteine chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking l-cysteine vs chronic_kidney_failure targets. Cross-check l-cysteine pharmacophore against chronic_kidney_failure pathway. l-methionine chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking l-methionine vs chronic_kidney_failure targets. Cross-check l-methionine pharmacophore against chronic_kidney_failure pathway. l-ornithine chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking l-ornithine vs chronic_kidney_failure targets. Cross-check l-ornithine pharmacophore against chronic_kidney_failure pathway. linaclotide chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking linaclotide vs chronic_kidney_failure targets. Cross-check linaclotide pharmacophore against chronic_kidney_failure pathway. mannitol systemic_lupus_erythematosus GAP_LOW 0.1063 0.0 methdilazine Low-priority: Computational docking mannitol vs systemic_lupus_erythematosus targets. Cross-check mannitol pharmacophore against systemic_lupus_erythematosus pathway. phenylbutazone pagets_disease_of_bone GAP_LOW 0.1063 0.0 ibandronate Low-priority: Computational docking phenylbutazone vs pagets_disease_of_bone targets. Cross-check phenylbutazone pharmacophore against pagets_disease_of_bone pathway. pyrimethamine chronic_kidney_failure GAP_LOW 0.1063 0.0 cinolazepam Low-priority: Computational docking pyrimethamine vs chronic_kidney_failure targets. Cross-check pyrimethamine pharmacophore against chronic_kidney_failure pathway. mazindol melanoma GAP_HIGH 0.1062 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) salicylic_acid ocular_cancer GAP_HIGH 0.1062 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) docetaxel asthma GAP_HIGH 0.1062 0.2 danazol High-priority: Binding assay docetaxel→?; validate in asthma cell model. Expected: similar to danazol (Jaccard=0.20) gemcitabine obesity GAP_HIGH 0.1062 0.2 trimethoprim High-priority: Binding assay gemcitabine→?; validate in obesity cell model. Expected: similar to trimethoprim (Jaccard=0.20) vinblastine endogenous_depression GAP_HIGH 0.1062 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in endogenous_depression cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine psoriasis GAP_HIGH 0.1062 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in psoriasis cell model. Expected: similar to epinastine (Jaccard=0.20) eplerenone nicotine_dependence GAP_HIGH 0.1062 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) bevantolol penile_cancer GAP_HIGH 0.1062 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in penile_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.19) lisinopril lung_cancer GAP_HIGH 0.1062 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in lung_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril rectum_cancer GAP_HIGH 0.1062 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) cinnarizine penile_cancer GAP_HIGH 0.1062 0.17647058823529413 phenylbutazone High-priority: Binding assay cinnarizine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) methylprednisolone focal_segmental_glomerulosclerosis GAP_HIGH 0.1062 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to floctafenine (Jaccard=0.15) sulfamethizole amyotrophic_lateral_sclerosis GAP_LOW 0.1062 0.14285714285714285 quinethazone Low-priority: Computational docking sulfamethizole vs amyotrophic_lateral_sclerosis targets. Cross-check sulfamethizole pharmacophore against amyotrophic_lateral_sclerosis pathway. sulfamethizole autistic_disorder GAP_LOW 0.1062 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs autistic_disorder targets. Cross-check sulfamethizole pharmacophore against autistic_disorder pathway. adenine meningioma GAP_LOW 0.1062 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs meningioma targets. Cross-check adenine pharmacophore against meningioma pathway. hydromorphone hypertension GAP_LOW 0.1062 0.125 cinolazepam Low-priority: Computational docking hydromorphone vs hypertension targets. Cross-check hydromorphone pharmacophore against hypertension pathway. conjugated_estrogens nicotine_dependence GAP_LOW 0.1062 0.1111111111111111 naloxone Low-priority: Computational docking conjugated_estrogens vs nicotine_dependence targets. Cross-check conjugated_estrogens pharmacophore against nicotine_dependence pathway. hydromorphone thymus_cancer GAP_LOW 0.1062 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs thymus_cancer targets. Cross-check hydromorphone pharmacophore against thymus_cancer pathway. probenecid glaucoma GAP_LOW 0.1062 0.1111111111111111 metaraminol Low-priority: Computational docking probenecid vs glaucoma targets. Cross-check probenecid pharmacophore against glaucoma pathway. enalapril brain_cancer GAP_LOW 0.1062 0.1 doxorubicin Low-priority: Computational docking enalapril vs brain_cancer targets. Cross-check enalapril pharmacophore against brain_cancer pathway. enalapril intracranial_aneurysm GAP_LOW 0.1062 0.1 doxorubicin Low-priority: Computational docking enalapril vs intracranial_aneurysm targets. Cross-check enalapril pharmacophore against intracranial_aneurysm pathway. paricalcitol sarcoma GAP_LOW 0.1062 0.1 pasireotide Low-priority: Computational docking paricalcitol vs sarcoma targets. Cross-check paricalcitol pharmacophore against sarcoma pathway. paricalcitol uterine_cancer GAP_LOW 0.1062 0.1 pasireotide Low-priority: Computational docking paricalcitol vs uterine_cancer targets. Cross-check paricalcitol pharmacophore against uterine_cancer pathway. testosterone larynx_cancer GAP_LOW 0.1062 0.1 vincristine Low-priority: Computational docking testosterone vs larynx_cancer targets. Cross-check testosterone pharmacophore against larynx_cancer pathway. tretinoin idiopathic_pulmonary_fibrosis GAP_LOW 0.1062 0.1 dopamine Low-priority: Computational docking tretinoin vs idiopathic_pulmonary_fibrosis targets. Cross-check tretinoin pharmacophore against idiopathic_pulmonary_fibrosis pathway. indomethacin breast_cancer GAP_LOW 0.1062 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs breast_cancer targets. Cross-check indomethacin pharmacophore against breast_cancer pathway. clofarabine glaucoma GAP_LOW 0.1062 0.08333333333333333 l-carnitine Low-priority: Computational docking clofarabine vs glaucoma targets. Cross-check clofarabine pharmacophore against glaucoma pathway. desmopressin urinary_bladder_cancer GAP_LOW 0.1062 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs urinary_bladder_cancer targets. Cross-check desmopressin pharmacophore against urinary_bladder_cancer pathway. thalidomide membranous_glomerulonephritis GAP_LOW 0.1062 0.08333333333333333 trifluridine Low-priority: Computational docking thalidomide vs membranous_glomerulonephritis targets. Cross-check thalidomide pharmacophore against membranous_glomerulonephritis pathway. indomethacin primary_biliary_cirrhosis GAP_LOW 0.1062 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs primary_biliary_cirrhosis targets. Cross-check indomethacin pharmacophore against primary_biliary_cirrhosis pathway. adinazolam alopecia_areata GAP_LOW 0.1062 0.058823529411764705 levorphanol Low-priority: Computational docking adinazolam vs alopecia_areata targets. Cross-check adinazolam pharmacophore against alopecia_areata pathway. l-methionine type_2_diabetes_mellitus GAP_LOW 0.1062 0.05 l-lysine Low-priority: Computational docking l-methionine vs type_2_diabetes_mellitus targets. Cross-check l-methionine pharmacophore against type_2_diabetes_mellitus pathway. norepinephrine chronic_kidney_failure GAP_LOW 0.1062 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking norepinephrine vs chronic_kidney_failure targets. Cross-check norepinephrine pharmacophore against chronic_kidney_failure pathway. aciclovir alcohol_dependence GAP_LOW 0.1062 0.0 midazolam Low-priority: Computational docking aciclovir vs alcohol_dependence targets. Cross-check aciclovir pharmacophore against alcohol_dependence pathway. adenosine alcohol_dependence GAP_LOW 0.1062 0.0 midazolam Low-priority: Computational docking adenosine vs alcohol_dependence targets. Cross-check adenosine pharmacophore against alcohol_dependence pathway. alitretinoin gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking alitretinoin vs gestational_diabetes targets. Cross-check alitretinoin pharmacophore against gestational_diabetes pathway. alprazolam bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking alprazolam vs bone_cancer targets. Cross-check alprazolam pharmacophore against bone_cancer pathway. azacitidine gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking azacitidine vs gestational_diabetes targets. Cross-check azacitidine pharmacophore against gestational_diabetes pathway. danazol bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking danazol vs bone_cancer targets. Cross-check danazol pharmacophore against bone_cancer pathway. diclofenamide bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking diclofenamide vs bone_cancer targets. Cross-check diclofenamide pharmacophore against bone_cancer pathway. diclofenamide gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking diclofenamide vs gestational_diabetes targets. Cross-check diclofenamide pharmacophore against gestational_diabetes pathway. dipivefrin bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking dipivefrin vs bone_cancer targets. Cross-check dipivefrin pharmacophore against bone_cancer pathway. dipivefrin gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking dipivefrin vs gestational_diabetes targets. Cross-check dipivefrin pharmacophore against gestational_diabetes pathway. droperidol bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking droperidol vs bone_cancer targets. Cross-check droperidol pharmacophore against bone_cancer pathway. droperidol gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking droperidol vs gestational_diabetes targets. Cross-check droperidol pharmacophore against gestational_diabetes pathway. etonogestrel bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking etonogestrel vs bone_cancer targets. Cross-check etonogestrel pharmacophore against bone_cancer pathway. etonogestrel gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking etonogestrel vs gestational_diabetes targets. Cross-check etonogestrel pharmacophore against gestational_diabetes pathway. fluspirilene bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking fluspirilene vs bone_cancer targets. Cross-check fluspirilene pharmacophore against bone_cancer pathway. fluspirilene gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking fluspirilene vs gestational_diabetes targets. Cross-check fluspirilene pharmacophore against gestational_diabetes pathway. furosemide bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking furosemide vs bone_cancer targets. Cross-check furosemide pharmacophore against bone_cancer pathway. mannitol metabolic_syndrome_x GAP_LOW 0.1062 0.0 hydrocortisone Low-priority: Computational docking mannitol vs metabolic_syndrome_x targets. Cross-check mannitol pharmacophore against metabolic_syndrome_x pathway. metolazone gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking metolazone vs gestational_diabetes targets. Cross-check metolazone pharmacophore against gestational_diabetes pathway. nandrolone_phenpropionate bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking nandrolone_phenpropionate vs bone_cancer targets. Cross-check nandrolone_phenpropionate pharmacophore against bone_cancer pathway. nandrolone_phenpropionate gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking nandrolone_phenpropionate vs gestational_diabetes targets. Cross-check nandrolone_phenpropionate pharmacophore against gestational_diabetes pathway. norelgestromin bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking norelgestromin vs bone_cancer targets. Cross-check norelgestromin pharmacophore against bone_cancer pathway. norelgestromin gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking norelgestromin vs gestational_diabetes targets. Cross-check norelgestromin pharmacophore against gestational_diabetes pathway. paricalcitol alcohol_dependence GAP_LOW 0.1062 0.0 midazolam Low-priority: Computational docking paricalcitol vs alcohol_dependence targets. Cross-check paricalcitol pharmacophore against alcohol_dependence pathway. regadenoson gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking regadenoson vs gestational_diabetes targets. Cross-check regadenoson pharmacophore against gestational_diabetes pathway. stanozolol bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking stanozolol vs bone_cancer targets. Cross-check stanozolol pharmacophore against bone_cancer pathway. stanozolol gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking stanozolol vs gestational_diabetes targets. Cross-check stanozolol pharmacophore against gestational_diabetes pathway. streptozocin focal_segmental_glomerulosclerosis GAP_LOW 0.1062 0.0 methdilazine Low-priority: Computational docking streptozocin vs focal_segmental_glomerulosclerosis targets. Cross-check streptozocin pharmacophore against focal_segmental_glomerulosclerosis pathway. tolmetin bone_cancer GAP_LOW 0.1062 0.0 ibandronate Low-priority: Computational docking tolmetin vs bone_cancer targets. Cross-check tolmetin pharmacophore against bone_cancer pathway. tretinoin gestational_diabetes GAP_LOW 0.1062 0.0 tolazamide Low-priority: Computational docking tretinoin vs gestational_diabetes targets. Cross-check tretinoin pharmacophore against gestational_diabetes pathway. pseudoephedrine salivary_gland_cancer GAP_HIGH 0.1061 0.3 epinephrine High-priority: Binding assay pseudoephedrine→?; validate in salivary_gland_cancer cell model. Expected: similar to epinephrine (Jaccard=0.30) l-tyrosine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1061 0.25806451612903225 sotalol High-priority: Binding assay l-tyrosine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.26) cyclizine meningioma GAP_HIGH 0.1061 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.21) desipramine esophageal_cancer GAP_HIGH 0.1061 0.2 vincristine High-priority: Binding assay desipramine→?; validate in esophageal_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) vinblastine migraine GAP_HIGH 0.1061 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in migraine cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine multiple_sclerosis GAP_HIGH 0.1061 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in multiple_sclerosis cell model. Expected: similar to epinastine (Jaccard=0.20) vinblastine osteoporosis GAP_HIGH 0.1061 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in osteoporosis cell model. Expected: similar to epinastine (Jaccard=0.20) propafenone malignant_mesothelioma GAP_HIGH 0.1061 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.19) ifenprodil glaucoma GAP_HIGH 0.1061 0.18518518518518517 bevantolol High-priority: Binding assay ifenprodil→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.19) glucosamine ankylosing_spondylitis GAP_HIGH 0.1061 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in ankylosing_spondylitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) aprindine atherosclerosis GAP_LOW 0.1061 0.125 warfarin Low-priority: Computational docking aprindine vs atherosclerosis targets. Cross-check aprindine pharmacophore against atherosclerosis pathway. alitretinoin sclerosing_cholangitis GAP_LOW 0.1061 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs sclerosing_cholangitis targets. Cross-check alitretinoin pharmacophore against sclerosing_cholangitis pathway. practolol prostate_cancer GAP_LOW 0.1061 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs prostate_cancer targets. Cross-check practolol pharmacophore against prostate_cancer pathway. telmisartan prostate_cancer GAP_LOW 0.1061 0.1 procaine Low-priority: Computational docking telmisartan vs prostate_cancer targets. Cross-check telmisartan pharmacophore against prostate_cancer pathway. indomethacin colon_cancer GAP_LOW 0.1061 0.09523809523809523 pseudoephedrine Low-priority: Computational docking indomethacin vs colon_cancer targets. Cross-check indomethacin pharmacophore against colon_cancer pathway. nandrolone_phenpropionate azoospermia GAP_LOW 0.1061 0.09090909090909091 aprindine Low-priority: Computational docking nandrolone_phenpropionate vs azoospermia targets. Cross-check nandrolone_phenpropionate pharmacophore against azoospermia pathway. alvimopan dilated_cardiomyopathy GAP_LOW 0.1061 0.08333333333333333 trandolapril Low-priority: Computational docking alvimopan vs dilated_cardiomyopathy targets. Cross-check alvimopan pharmacophore against dilated_cardiomyopathy pathway. ergocalciferol idiopathic_pulmonary_fibrosis GAP_LOW 0.1061 0.08333333333333333 spironolactone Low-priority: Computational docking ergocalciferol vs idiopathic_pulmonary_fibrosis targets. Cross-check ergocalciferol pharmacophore against idiopathic_pulmonary_fibrosis pathway. atenolol nephrolithiasis GAP_LOW 0.1061 0.07692307692307693 cabazitaxel Low-priority: Computational docking atenolol vs nephrolithiasis targets. Cross-check atenolol pharmacophore against nephrolithiasis pathway. indomethacin thymus_cancer GAP_LOW 0.1061 0.07692307692307693 doxorubicin Low-priority: Computational docking indomethacin vs thymus_cancer targets. Cross-check indomethacin pharmacophore against thymus_cancer pathway. methyclothiazide type_1_diabetes_mellitus GAP_LOW 0.1061 0.07692307692307693 sulfapyridine Low-priority: Computational docking methyclothiazide vs type_1_diabetes_mellitus targets. Cross-check methyclothiazide pharmacophore against type_1_diabetes_mellitus pathway. telbivudine coronary_artery_disease GAP_LOW 0.1061 0.07142857142857142 chloroprocaine Low-priority: Computational docking telbivudine vs coronary_artery_disease targets. Cross-check telbivudine pharmacophore against coronary_artery_disease pathway. chlorpropamide membranous_glomerulonephritis GAP_LOW 0.1061 0.0625 indapamide Low-priority: Computational docking chlorpropamide vs membranous_glomerulonephritis targets. Cross-check chlorpropamide pharmacophore against membranous_glomerulonephritis pathway. acetic_acid gilles_de_la_tourette_syndrome GAP_LOW 0.1061 0.0 loxapine Low-priority: Computational docking acetic_acid vs gilles_de_la_tourette_syndrome targets. Cross-check acetic_acid pharmacophore against gilles_de_la_tourette_syndrome pathway. mannitol osteoarthritis GAP_LOW 0.1061 0.0 flurazepam Low-priority: Computational docking mannitol vs osteoarthritis targets. Cross-check mannitol pharmacophore against osteoarthritis pathway. streptozocin gilles_de_la_tourette_syndrome GAP_LOW 0.1061 0.0 loxapine Low-priority: Computational docking streptozocin vs gilles_de_la_tourette_syndrome targets. Cross-check streptozocin pharmacophore against gilles_de_la_tourette_syndrome pathway. thiothixene sarcoma GAP_HIGH 0.106 0.3333333333333333 ethopropazine High-priority: Binding assay thiothixene→?; validate in sarcoma cell model. Expected: similar to ethopropazine (Jaccard=0.33) alimemazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.106 0.25925925925925924 diphenhydramine High-priority: Binding assay alimemazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.26) oxcarbazepine sclerosing_cholangitis GAP_HIGH 0.106 0.2 midazolam High-priority: Binding assay oxcarbazepine→?; validate in sclerosing_cholangitis cell model. Expected: similar to midazolam (Jaccard=0.20) salicylic_acid membranous_glomerulonephritis GAP_HIGH 0.106 0.2 mefenamic_acid High-priority: Binding assay salicylic_acid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mefenamic_acid (Jaccard=0.20) aprindine idiopathic_pulmonary_fibrosis GAP_HIGH 0.106 0.18518518518518517 diphenhydramine High-priority: Binding assay aprindine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.19) lisinopril liver_cancer GAP_HIGH 0.106 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) sulfapyridine pharynx_cancer GAP_HIGH 0.106 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in pharynx_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) oxybuprocaine pharynx_cancer GAP_HIGH 0.106 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) phenelzine malaria GAP_HIGH 0.106 0.15789473684210525 tranylcypromine High-priority: Binding assay phenelzine→?; validate in malaria cell model. Expected: similar to tranylcypromine (Jaccard=0.16) enalapril atopic_dermatitis GAP_LOW 0.106 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs atopic_dermatitis targets. Cross-check enalapril pharmacophore against atopic_dermatitis pathway. enalapril breast_cancer GAP_LOW 0.106 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs breast_cancer targets. Cross-check enalapril pharmacophore against breast_cancer pathway. enalapril colon_cancer GAP_LOW 0.106 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs colon_cancer targets. Cross-check enalapril pharmacophore against colon_cancer pathway. enalapril stomach_cancer GAP_LOW 0.106 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs stomach_cancer targets. Cross-check enalapril pharmacophore against stomach_cancer pathway. olanzapine peripheral_nervous_system_neoplasm GAP_LOW 0.106 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs peripheral_nervous_system_neoplasm targets. Cross-check olanzapine pharmacophore against peripheral_nervous_system_neoplasm pathway. olanzapine urinary_bladder_cancer GAP_LOW 0.106 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs urinary_bladder_cancer targets. Cross-check olanzapine pharmacophore against urinary_bladder_cancer pathway. bromodiphenhydramine malaria GAP_LOW 0.106 0.13333333333333333 warfarin Low-priority: Computational docking bromodiphenhydramine vs malaria targets. Cross-check bromodiphenhydramine pharmacophore against malaria pathway. etonogestrel nicotine_dependence GAP_LOW 0.106 0.125 l-tryptophan Low-priority: Computational docking etonogestrel vs nicotine_dependence targets. Cross-check etonogestrel pharmacophore against nicotine_dependence pathway. chlorpropamide conduct_disorder GAP_LOW 0.106 0.09090909090909091 melphalan Low-priority: Computational docking chlorpropamide vs conduct_disorder targets. Cross-check chlorpropamide pharmacophore against conduct_disorder pathway. zidovudine esophageal_cancer GAP_LOW 0.106 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs esophageal_cancer targets. Cross-check zidovudine pharmacophore against esophageal_cancer pathway. phentermine bone_cancer GAP_LOW 0.106 0.08333333333333333 alendronate Low-priority: Computational docking phentermine vs bone_cancer targets. Cross-check phentermine pharmacophore against bone_cancer pathway. dihydrotachysterol kidney_cancer GAP_LOW 0.106 0.07142857142857142 sulfamethizole Low-priority: Computational docking dihydrotachysterol vs kidney_cancer targets. Cross-check dihydrotachysterol pharmacophore against kidney_cancer pathway. naloxone membranous_glomerulonephritis GAP_LOW 0.106 0.07142857142857142 chlorthalidone Low-priority: Computational docking naloxone vs membranous_glomerulonephritis targets. Cross-check naloxone pharmacophore against membranous_glomerulonephritis pathway. ziprasidone atherosclerosis GAP_LOW 0.106 0.05 acetylsalicylic_acid Low-priority: Computational docking ziprasidone vs atherosclerosis targets. Cross-check ziprasidone pharmacophore against atherosclerosis pathway. chlorpropamide gilles_de_la_tourette_syndrome GAP_LOW 0.106 0.045454545454545456 difenoxin Low-priority: Computational docking chlorpropamide vs gilles_de_la_tourette_syndrome targets. Cross-check chlorpropamide pharmacophore against gilles_de_la_tourette_syndrome pathway. l-citrulline panic_disorder GAP_LOW 0.106 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs panic_disorder targets. Cross-check l-citrulline pharmacophore against panic_disorder pathway. l-methionine ulcerative_colitis GAP_LOW 0.106 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs ulcerative_colitis targets. Cross-check l-methionine pharmacophore against ulcerative_colitis pathway. diethylpropion gestational_diabetes GAP_LOW 0.106 0.03225806451612903 bezafibrate Low-priority: Computational docking diethylpropion vs gestational_diabetes targets. Cross-check diethylpropion pharmacophore against gestational_diabetes pathway. antipyrine lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking antipyrine vs lymphatic_system_cancer targets. Cross-check antipyrine pharmacophore against lymphatic_system_cancer pathway. conivaptan creutzfeldt-jakob_disease GAP_LOW 0.106 0.0 loxapine Low-priority: Computational docking conivaptan vs creutzfeldt-jakob_disease targets. Cross-check conivaptan pharmacophore against creutzfeldt-jakob_disease pathway. exemestane pagets_disease_of_bone GAP_LOW 0.106 0.0 ibandronate Low-priority: Computational docking exemestane vs pagets_disease_of_bone targets. Cross-check exemestane pharmacophore against pagets_disease_of_bone pathway. fenbufen lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking fenbufen vs lymphatic_system_cancer targets. Cross-check fenbufen pharmacophore against lymphatic_system_cancer pathway. fentanyl pagets_disease_of_bone GAP_LOW 0.106 0.0 ibandronate Low-priority: Computational docking fentanyl vs pagets_disease_of_bone targets. Cross-check fentanyl pharmacophore against pagets_disease_of_bone pathway. ketazolam lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking ketazolam vs lymphatic_system_cancer targets. Cross-check ketazolam pharmacophore against lymphatic_system_cancer pathway. mannitol testicular_cancer GAP_LOW 0.106 0.0 hydrocortisone Low-priority: Computational docking mannitol vs testicular_cancer targets. Cross-check mannitol pharmacophore against testicular_cancer pathway. mannitol vaginal_cancer GAP_LOW 0.106 0.0 hydrocortisone Low-priority: Computational docking mannitol vs vaginal_cancer targets. Cross-check mannitol pharmacophore against vaginal_cancer pathway. mannitol vulva_cancer GAP_LOW 0.106 0.0 hydrocortisone Low-priority: Computational docking mannitol vs vulva_cancer targets. Cross-check mannitol pharmacophore against vulva_cancer pathway. medrysone pagets_disease_of_bone GAP_LOW 0.106 0.0 ibandronate Low-priority: Computational docking medrysone vs pagets_disease_of_bone targets. Cross-check medrysone pharmacophore against pagets_disease_of_bone pathway. melatonin atherosclerosis GAP_LOW 0.106 0.0 fenoprofen Low-priority: Computational docking melatonin vs atherosclerosis targets. Cross-check melatonin pharmacophore against atherosclerosis pathway. melatonin lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking melatonin vs lymphatic_system_cancer targets. Cross-check melatonin pharmacophore against lymphatic_system_cancer pathway. mesalazine pagets_disease_of_bone GAP_LOW 0.106 0.0 ibandronate Low-priority: Computational docking mesalazine vs pagets_disease_of_bone targets. Cross-check mesalazine pharmacophore against pagets_disease_of_bone pathway. methsuximide lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking methsuximide vs lymphatic_system_cancer targets. Cross-check methsuximide pharmacophore against lymphatic_system_cancer pathway. polythiazide lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking polythiazide vs lymphatic_system_cancer targets. Cross-check polythiazide pharmacophore against lymphatic_system_cancer pathway. prazepam lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking prazepam vs lymphatic_system_cancer targets. Cross-check prazepam pharmacophore against lymphatic_system_cancer pathway. theophylline atherosclerosis GAP_LOW 0.106 0.0 fenoprofen Low-priority: Computational docking theophylline vs atherosclerosis targets. Cross-check theophylline pharmacophore against atherosclerosis pathway. theophylline lymphatic_system_cancer GAP_LOW 0.106 0.0 vinblastine Low-priority: Computational docking theophylline vs lymphatic_system_cancer targets. Cross-check theophylline pharmacophore against lymphatic_system_cancer pathway. acetylsalicylic_acid mediastinal_cancer GAP_HIGH 0.1059 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in mediastinal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid primary_biliary_cirrhosis GAP_HIGH 0.1059 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to lapatinib (Jaccard=0.24) salicylic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1059 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to clonidine (Jaccard=0.23) isopropamide glaucoma GAP_HIGH 0.1059 0.2 metaraminol High-priority: Binding assay isopropamide→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) floctafenine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1059 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) oxybuprocaine ankylosing_spondylitis GAP_HIGH 0.1059 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in ankylosing_spondylitis cell model. Expected: similar to modafinil (Jaccard=0.17) glucosamine epilepsy_syndrome GAP_HIGH 0.1059 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in epilepsy_syndrome cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) sulfapyridine meningioma GAP_HIGH 0.1059 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.16) cabazitaxel esophageal_cancer GAP_LOW 0.1059 0.14285714285714285 pantoprazole Low-priority: Computational docking cabazitaxel vs esophageal_cancer targets. Cross-check cabazitaxel pharmacophore against esophageal_cancer pathway. enalapril pancreatic_cancer GAP_LOW 0.1059 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs pancreatic_cancer targets. Cross-check enalapril pharmacophore against pancreatic_cancer pathway. cinolazepam azoospermia GAP_LOW 0.1059 0.13043478260869565 chlorpromazine Low-priority: Computational docking cinolazepam vs azoospermia targets. Cross-check cinolazepam pharmacophore against azoospermia pathway. practolol mediastinal_cancer GAP_LOW 0.1059 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs mediastinal_cancer targets. Cross-check practolol pharmacophore against mediastinal_cancer pathway. adinazolam sarcoma GAP_LOW 0.1059 0.10526315789473684 phenylbutazone Low-priority: Computational docking adinazolam vs sarcoma targets. Cross-check adinazolam pharmacophore against sarcoma pathway. sulfadiazine hepatitis_b GAP_LOW 0.1059 0.10526315789473684 trandolapril Low-priority: Computational docking sulfadiazine vs hepatitis_b targets. Cross-check sulfadiazine pharmacophore against hepatitis_b pathway. proparacaine peripheral_nervous_system_neoplasm GAP_LOW 0.1059 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs peripheral_nervous_system_neoplasm targets. Cross-check proparacaine pharmacophore against peripheral_nervous_system_neoplasm pathway. flurazepam refractive_error GAP_LOW 0.1059 0.08333333333333333 dipivefrin Low-priority: Computational docking flurazepam vs refractive_error targets. Cross-check flurazepam pharmacophore against refractive_error pathway. ethotoin glaucoma GAP_LOW 0.1059 0.08108108108108109 pseudoephedrine Low-priority: Computational docking ethotoin vs glaucoma targets. Cross-check ethotoin pharmacophore against glaucoma pathway. flurazepam glaucoma GAP_LOW 0.1059 0.07692307692307693 pirbuterol Low-priority: Computational docking flurazepam vs glaucoma targets. Cross-check flurazepam pharmacophore against glaucoma pathway. l-dopa leprosy GAP_LOW 0.1059 0.07692307692307693 lenalidomide Low-priority: Computational docking l-dopa vs leprosy targets. Cross-check l-dopa pharmacophore against leprosy pathway. dyphylline testicular_cancer GAP_LOW 0.1059 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs testicular_cancer targets. Cross-check dyphylline pharmacophore against testicular_cancer pathway. dyphylline vaginal_cancer GAP_LOW 0.1059 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs vaginal_cancer targets. Cross-check dyphylline pharmacophore against vaginal_cancer pathway. dyphylline vulva_cancer GAP_LOW 0.1059 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs vulva_cancer targets. Cross-check dyphylline pharmacophore against vulva_cancer pathway. enalapril atherosclerosis GAP_LOW 0.1059 0.06451612903225806 phenacemide Low-priority: Computational docking enalapril vs atherosclerosis targets. Cross-check enalapril pharmacophore against atherosclerosis pathway. zafirlukast intracranial_aneurysm GAP_LOW 0.1059 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs intracranial_aneurysm targets. Cross-check zafirlukast pharmacophore against intracranial_aneurysm pathway. l-citrulline schizophrenia GAP_LOW 0.1059 0.043478260869565216 pseudoephedrine Low-priority: Computational docking l-citrulline vs schizophrenia targets. Cross-check l-citrulline pharmacophore against schizophrenia pathway. l-methionine psoriasis GAP_LOW 0.1059 0.04081632653061224 phenylpropanolamine Low-priority: Computational docking l-methionine vs psoriasis targets. Cross-check l-methionine pharmacophore against psoriasis pathway. l-methionine pancreatic_cancer GAP_LOW 0.1059 0.04 pargyline Low-priority: Computational docking l-methionine vs pancreatic_cancer targets. Cross-check l-methionine pharmacophore against pancreatic_cancer pathway. loratadine hematologic_cancer GAP_LOW 0.1059 0.0392156862745098 s-adenosylmethionine Low-priority: Computational docking loratadine vs hematologic_cancer targets. Cross-check loratadine pharmacophore against hematologic_cancer pathway. ketorolac gestational_diabetes GAP_LOW 0.1059 0.038461538461538464 bezafibrate Low-priority: Computational docking ketorolac vs gestational_diabetes targets. Cross-check ketorolac pharmacophore against gestational_diabetes pathway. acetic_acid type_1_diabetes_mellitus GAP_LOW 0.1059 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs type_1_diabetes_mellitus targets. Cross-check acetic_acid pharmacophore against type_1_diabetes_mellitus pathway. pseudoephedrine ocular_cancer GAP_HIGH 0.1058 0.3 epinephrine High-priority: Binding assay pseudoephedrine→?; validate in ocular_cancer cell model. Expected: similar to epinephrine (Jaccard=0.30) acetylsalicylic_acid thymus_cancer GAP_HIGH 0.1058 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in thymus_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) dexamethasone refractive_error GAP_HIGH 0.1058 0.2222222222222222 choline High-priority: Binding assay dexamethasone→?; validate in refractive_error cell model. Expected: similar to choline (Jaccard=0.22) lacosamide primary_biliary_cirrhosis GAP_HIGH 0.1058 0.21428571428571427 mitiglinide High-priority: Binding assay lacosamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.21) doxorubicin prostate_cancer GAP_HIGH 0.1058 0.2 sunitinib High-priority: Binding assay doxorubicin→?; validate in prostate_cancer cell model. Expected: similar to sunitinib (Jaccard=0.20) floctafenine germ_cell_cancer GAP_HIGH 0.1058 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in germ_cell_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) oxybuprocaine membranous_glomerulonephritis GAP_LOW 0.1058 0.14814814814814814 ethopropazine Low-priority: Computational docking oxybuprocaine vs membranous_glomerulonephritis targets. Cross-check oxybuprocaine pharmacophore against membranous_glomerulonephritis pathway. enalapril psoriasis GAP_LOW 0.1058 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs psoriasis targets. Cross-check enalapril pharmacophore against psoriasis pathway. enalapril ulcerative_colitis GAP_LOW 0.1058 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs ulcerative_colitis targets. Cross-check enalapril pharmacophore against ulcerative_colitis pathway. estazolam muscle_cancer GAP_LOW 0.1058 0.13953488372093023 phensuximide Low-priority: Computational docking estazolam vs muscle_cancer targets. Cross-check estazolam pharmacophore against muscle_cancer pathway. chlorphenesin ankylosing_spondylitis GAP_LOW 0.1058 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs ankylosing_spondylitis targets. Cross-check chlorphenesin pharmacophore against ankylosing_spondylitis pathway. olanzapine mediastinal_cancer GAP_LOW 0.1058 0.125 alendronate Low-priority: Computational docking olanzapine vs mediastinal_cancer targets. Cross-check olanzapine pharmacophore against mediastinal_cancer pathway. practolol thymus_cancer GAP_LOW 0.1058 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs thymus_cancer targets. Cross-check practolol pharmacophore against thymus_cancer pathway. tretinoin autistic_disorder GAP_LOW 0.1058 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs autistic_disorder targets. Cross-check tretinoin pharmacophore against autistic_disorder pathway. tretinoin nicotine_dependence GAP_LOW 0.1058 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs nicotine_dependence targets. Cross-check tretinoin pharmacophore against nicotine_dependence pathway. cinchocaine rectum_cancer GAP_LOW 0.1058 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs rectum_cancer targets. Cross-check cinchocaine pharmacophore against rectum_cancer pathway. desmopressin breast_cancer GAP_LOW 0.1058 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs breast_cancer targets. Cross-check desmopressin pharmacophore against breast_cancer pathway. desmopressin colon_cancer GAP_LOW 0.1058 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs colon_cancer targets. Cross-check desmopressin pharmacophore against colon_cancer pathway. salbutamol esophageal_cancer GAP_LOW 0.1058 0.08333333333333333 mesalazine Low-priority: Computational docking salbutamol vs esophageal_cancer targets. Cross-check salbutamol pharmacophore against esophageal_cancer pathway. lidocaine lymphatic_system_cancer GAP_LOW 0.1058 0.07692307692307693 vinblastine Low-priority: Computational docking lidocaine vs lymphatic_system_cancer targets. Cross-check lidocaine pharmacophore against lymphatic_system_cancer pathway. tretinoin intracranial_aneurysm GAP_LOW 0.1058 0.07692307692307693 dexamethasone Low-priority: Computational docking tretinoin vs intracranial_aneurysm targets. Cross-check tretinoin pharmacophore against intracranial_aneurysm pathway. desmopressin primary_biliary_cirrhosis GAP_LOW 0.1058 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs primary_biliary_cirrhosis targets. Cross-check desmopressin pharmacophore against primary_biliary_cirrhosis pathway. dyphylline vascular_cancer GAP_LOW 0.1058 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs vascular_cancer targets. Cross-check dyphylline pharmacophore against vascular_cancer pathway. afatinib dilated_cardiomyopathy GAP_LOW 0.1058 0.05263157894736842 trandolapril Low-priority: Computational docking afatinib vs dilated_cardiomyopathy targets. Cross-check afatinib pharmacophore against dilated_cardiomyopathy pathway. indomethacin chronic_kidney_failure GAP_LOW 0.1058 0.05263157894736842 acetylsalicylic_acid Low-priority: Computational docking indomethacin vs chronic_kidney_failure targets. Cross-check indomethacin pharmacophore against chronic_kidney_failure pathway. alcaftadine leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking alcaftadine vs leprosy targets. Cross-check alcaftadine pharmacophore against leprosy pathway. anileridine leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking anileridine vs leprosy targets. Cross-check anileridine pharmacophore against leprosy pathway. anisotropine_methylbromide leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking anisotropine_methylbromide vs leprosy targets. Cross-check anisotropine_methylbromide pharmacophore against leprosy pathway. bepotastine leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking bepotastine vs leprosy targets. Cross-check bepotastine pharmacophore against leprosy pathway. cladribine leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking cladribine vs leprosy targets. Cross-check cladribine pharmacophore against leprosy pathway. flunarizine leprosy GAP_LOW 0.1058 0.0 sulfapyridine Low-priority: Computational docking flunarizine vs leprosy targets. Cross-check flunarizine pharmacophore against leprosy pathway. mannitol obesity GAP_LOW 0.1058 0.0 hydrocortisone Low-priority: Computational docking mannitol vs obesity targets. Cross-check mannitol pharmacophore against obesity pathway. mannitol vascular_cancer GAP_LOW 0.1058 0.0 hydrocortisone Low-priority: Computational docking mannitol vs vascular_cancer targets. Cross-check mannitol pharmacophore against vascular_cancer pathway. modafinil pagets_disease_of_bone GAP_LOW 0.1058 0.0 ibandronate Low-priority: Computational docking modafinil vs pagets_disease_of_bone targets. Cross-check modafinil pharmacophore against pagets_disease_of_bone pathway. l-tyrosine pancreatitis GAP_HIGH 0.1057 0.2692307692307692 procarbazine High-priority: Binding assay l-tyrosine→?; validate in pancreatitis cell model. Expected: similar to procarbazine (Jaccard=0.27) gemcitabine restless_legs_syndrome GAP_HIGH 0.1057 0.2 trimethoprim High-priority: Binding assay gemcitabine→?; validate in restless_legs_syndrome cell model. Expected: similar to trimethoprim (Jaccard=0.20) afatinib psoriatic_arthritis GAP_HIGH 0.1057 0.1875 captopril High-priority: Binding assay afatinib→?; validate in psoriatic_arthritis cell model. Expected: similar to captopril (Jaccard=0.19) eplerenone conduct_disorder GAP_HIGH 0.1057 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) eplerenone panic_disorder GAP_HIGH 0.1057 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) floctafenine pancreatitis GAP_HIGH 0.1057 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in pancreatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) lisinopril chronic_obstructive_pulmonary_disease GAP_HIGH 0.1057 0.17647058823529413 zafirlukast High-priority: Binding assay lisinopril→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to zafirlukast (Jaccard=0.18) oxybuprocaine chronic_obstructive_pulmonary_disease GAP_HIGH 0.1057 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to modafinil (Jaccard=0.17) alvimopan thyroid_cancer GAP_HIGH 0.1057 0.16666666666666666 clonidine High-priority: Binding assay alvimopan→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) afatinib narcolepsy GAP_HIGH 0.1057 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in narcolepsy cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) enalapril osteoporosis GAP_LOW 0.1057 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs osteoporosis targets. Cross-check enalapril pharmacophore against osteoporosis pathway. enalapril ovarian_cancer GAP_LOW 0.1057 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs ovarian_cancer targets. Cross-check enalapril pharmacophore against ovarian_cancer pathway. enalapril uterine_cancer GAP_LOW 0.1057 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs uterine_cancer targets. Cross-check enalapril pharmacophore against uterine_cancer pathway. sulfamethizole panic_disorder GAP_LOW 0.1057 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs panic_disorder targets. Cross-check sulfamethizole pharmacophore against panic_disorder pathway. sulfamethizole schizophrenia GAP_LOW 0.1057 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs schizophrenia targets. Cross-check sulfamethizole pharmacophore against schizophrenia pathway. fludiazepam malaria GAP_LOW 0.1057 0.13793103448275862 antipyrine Low-priority: Computational docking fludiazepam vs malaria targets. Cross-check fludiazepam pharmacophore against malaria pathway. olanzapine thymus_cancer GAP_LOW 0.1057 0.125 alendronate Low-priority: Computational docking olanzapine vs thymus_cancer targets. Cross-check olanzapine pharmacophore against thymus_cancer pathway. danazol refractive_error GAP_LOW 0.1057 0.1 choline Low-priority: Computational docking danazol vs refractive_error targets. Cross-check danazol pharmacophore against refractive_error pathway. orciprenaline gilles_de_la_tourette_syndrome GAP_LOW 0.1057 0.1 tolterodine Low-priority: Computational docking orciprenaline vs gilles_de_la_tourette_syndrome targets. Cross-check orciprenaline pharmacophore against gilles_de_la_tourette_syndrome pathway. chlorpropamide endogenous_depression GAP_LOW 0.1057 0.09090909090909091 suprofen Low-priority: Computational docking chlorpropamide vs endogenous_depression targets. Cross-check chlorpropamide pharmacophore against endogenous_depression pathway. anisindione refractive_error GAP_LOW 0.1057 0.07142857142857142 l-dopa Low-priority: Computational docking anisindione vs refractive_error targets. Cross-check anisindione pharmacophore against refractive_error pathway. practolol atherosclerosis GAP_LOW 0.1057 0.06060606060606061 flurbiprofen Low-priority: Computational docking practolol vs atherosclerosis targets. Cross-check practolol pharmacophore against atherosclerosis pathway. calcium_acetate meningioma GAP_LOW 0.1057 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs meningioma targets. Cross-check calcium_acetate pharmacophore against meningioma pathway. estrone malignant_mesothelioma GAP_HIGH 0.1056 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in malignant_mesothelioma cell model. Expected: similar to exemestane (Jaccard=0.27) doxepin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1056 0.25 atomoxetine High-priority: Binding assay doxepin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.25) clozapine urinary_bladder_cancer GAP_HIGH 0.1056 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) cinnarizine uterine_cancer GAP_HIGH 0.1056 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in uterine_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) vinblastine osteoarthritis GAP_HIGH 0.1056 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in osteoarthritis cell model. Expected: similar to epinastine (Jaccard=0.20) dextroamphetamine duodenum_cancer GAP_HIGH 0.1056 0.17647058823529413 l-dopa High-priority: Binding assay dextroamphetamine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.18) dextroamphetamine gallbladder_cancer GAP_HIGH 0.1056 0.17647058823529413 l-dopa High-priority: Binding assay dextroamphetamine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.18) estradiol_valeratedienogest autistic_disorder GAP_HIGH 0.1056 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in autistic_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) estradiol_valeratedienogest parkinsons_disease GAP_HIGH 0.1056 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in parkinsons_disease cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) s-adenosylmethionine pancreatitis GAP_HIGH 0.1056 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in pancreatitis cell model. Expected: similar to lamivudine (Jaccard=0.17) alvimopan prostate_cancer GAP_HIGH 0.1056 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.16) sulfamethizole conduct_disorder GAP_LOW 0.1056 0.14285714285714285 quinethazone Low-priority: Computational docking sulfamethizole vs conduct_disorder targets. Cross-check sulfamethizole pharmacophore against conduct_disorder pathway. chlorphenesin chronic_obstructive_pulmonary_disease GAP_LOW 0.1056 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs chronic_obstructive_pulmonary_disease targets. Cross-check chlorphenesin pharmacophore against chronic_obstructive_pulmonary_disease pathway. adenine azoospermia GAP_LOW 0.1056 0.125 propericiazine Low-priority: Computational docking adenine vs azoospermia targets. Cross-check adenine pharmacophore against azoospermia pathway. medroxyprogesterone_acetate narcolepsy GAP_LOW 0.1056 0.125 l-tryptophan Low-priority: Computational docking medroxyprogesterone_acetate vs narcolepsy targets. Cross-check medroxyprogesterone_acetate pharmacophore against narcolepsy pathway. trandolapril larynx_cancer GAP_LOW 0.1056 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs larynx_cancer targets. Cross-check trandolapril pharmacophore against larynx_cancer pathway. azacitidine type_2_diabetes_mellitus GAP_LOW 0.1056 0.1111111111111111 methotrexate Low-priority: Computational docking azacitidine vs type_2_diabetes_mellitus targets. Cross-check azacitidine pharmacophore against type_2_diabetes_mellitus pathway. stanozolol schizophrenia GAP_LOW 0.1056 0.1111111111111111 hydromorphone Low-priority: Computational docking stanozolol vs schizophrenia targets. Cross-check stanozolol pharmacophore against schizophrenia pathway. cinchocaine pharynx_cancer GAP_LOW 0.1056 0.1 modafinil Low-priority: Computational docking cinchocaine vs pharynx_cancer targets. Cross-check cinchocaine pharmacophore against pharynx_cancer pathway. levonorgestrel refractive_error GAP_LOW 0.1056 0.1 choline Low-priority: Computational docking levonorgestrel vs refractive_error targets. Cross-check levonorgestrel pharmacophore against refractive_error pathway. paricalcitol testicular_cancer GAP_LOW 0.1056 0.1 pasireotide Low-priority: Computational docking paricalcitol vs testicular_cancer targets. Cross-check paricalcitol pharmacophore against testicular_cancer pathway. sulfamethizole brain_cancer GAP_LOW 0.1056 0.1 clodronate Low-priority: Computational docking sulfamethizole vs brain_cancer targets. Cross-check sulfamethizole pharmacophore against brain_cancer pathway. sulfamethizole intracranial_aneurysm GAP_LOW 0.1056 0.1 etidronic_acid Low-priority: Computational docking sulfamethizole vs intracranial_aneurysm targets. Cross-check sulfamethizole pharmacophore against intracranial_aneurysm pathway. furosemide head_and_neck_cancer GAP_LOW 0.1056 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs head_and_neck_cancer targets. Cross-check furosemide pharmacophore against head_and_neck_cancer pathway. furosemide malignant_glioma GAP_LOW 0.1056 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs malignant_glioma targets. Cross-check furosemide pharmacophore against malignant_glioma pathway. paricalcitol chronic_obstructive_pulmonary_disease GAP_LOW 0.1056 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs chronic_obstructive_pulmonary_disease targets. Cross-check paricalcitol pharmacophore against chronic_obstructive_pulmonary_disease pathway. telmisartan malignant_mesothelioma GAP_LOW 0.1056 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs malignant_mesothelioma targets. Cross-check telmisartan pharmacophore against malignant_mesothelioma pathway. pomalidomide prostate_cancer GAP_LOW 0.1056 0.08695652173913043 sorafenib Low-priority: Computational docking pomalidomide vs prostate_cancer targets. Cross-check pomalidomide pharmacophore against prostate_cancer pathway. hydromorphone focal_segmental_glomerulosclerosis GAP_LOW 0.1056 0.08333333333333333 chlorthalidone Low-priority: Computational docking hydromorphone vs focal_segmental_glomerulosclerosis targets. Cross-check hydromorphone pharmacophore against focal_segmental_glomerulosclerosis pathway. hydrochlorothiazide rectum_cancer GAP_LOW 0.1056 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs rectum_cancer targets. Cross-check hydrochlorothiazide pharmacophore against rectum_cancer pathway. salicylic_acid gestational_diabetes GAP_LOW 0.1056 0.07692307692307693 bezafibrate Low-priority: Computational docking salicylic_acid vs gestational_diabetes targets. Cross-check salicylic_acid pharmacophore against gestational_diabetes pathway. diclofenamide penile_cancer GAP_LOW 0.1056 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs penile_cancer targets. Cross-check diclofenamide pharmacophore against penile_cancer pathway. imatinib esophageal_cancer GAP_LOW 0.1056 0.06060606060606061 etoricoxib Low-priority: Computational docking imatinib vs esophageal_cancer targets. Cross-check imatinib pharmacophore against esophageal_cancer pathway. atenolol alopecia_areata GAP_LOW 0.1056 0.058823529411764705 estradiol_valeratedienogest Low-priority: Computational docking atenolol vs alopecia_areata targets. Cross-check atenolol pharmacophore against alopecia_areata pathway. paricalcitol gilles_de_la_tourette_syndrome GAP_LOW 0.1056 0.058823529411764705 anileridine Low-priority: Computational docking paricalcitol vs gilles_de_la_tourette_syndrome targets. Cross-check paricalcitol pharmacophore against gilles_de_la_tourette_syndrome pathway. sulfaphenazole dilated_cardiomyopathy GAP_LOW 0.1056 0.05555555555555555 trandolapril Low-priority: Computational docking sulfaphenazole vs dilated_cardiomyopathy targets. Cross-check sulfaphenazole pharmacophore against dilated_cardiomyopathy pathway. alitretinoin lymphatic_system_cancer GAP_LOW 0.1056 0.05 lamivudine Low-priority: Computational docking alitretinoin vs lymphatic_system_cancer targets. Cross-check alitretinoin pharmacophore against lymphatic_system_cancer pathway. l-methionine duodenum_cancer GAP_LOW 0.1056 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs duodenum_cancer targets. Cross-check l-methionine pharmacophore against duodenum_cancer pathway. l-methionine gallbladder_cancer GAP_LOW 0.1056 0.024390243902439025 capecitabine Low-priority: Computational docking l-methionine vs gallbladder_cancer targets. Cross-check l-methionine pharmacophore against gallbladder_cancer pathway. l-methionine melanoma GAP_LOW 0.1056 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs melanoma targets. Cross-check l-methionine pharmacophore against melanoma pathway. acetic_acid glaucoma GAP_LOW 0.1056 0.0 pirbuterol Low-priority: Computational docking acetic_acid vs glaucoma targets. Cross-check acetic_acid pharmacophore against glaucoma pathway. clofedanol pagets_disease_of_bone GAP_LOW 0.1056 0.0 ibandronate Low-priority: Computational docking clofedanol vs pagets_disease_of_bone targets. Cross-check clofedanol pharmacophore against pagets_disease_of_bone pathway. codeine acquired_immunodeficiency_syndrome GAP_LOW 0.1056 0.0 mitiglinide Low-priority: Computational docking codeine vs acquired_immunodeficiency_syndrome targets. Cross-check codeine pharmacophore against acquired_immunodeficiency_syndrome pathway. loperamide pagets_disease_of_bone GAP_LOW 0.1056 0.0 ibandronate Low-priority: Computational docking loperamide vs pagets_disease_of_bone targets. Cross-check loperamide pharmacophore against pagets_disease_of_bone pathway. mannitol systemic_scleroderma GAP_LOW 0.1056 0.0 hydrocortisone Low-priority: Computational docking mannitol vs systemic_scleroderma targets. Cross-check mannitol pharmacophore against systemic_scleroderma pathway. rimexolone pagets_disease_of_bone GAP_LOW 0.1056 0.0 ibandronate Low-priority: Computational docking rimexolone vs pagets_disease_of_bone targets. Cross-check rimexolone pharmacophore against pagets_disease_of_bone pathway. vorinostat acquired_immunodeficiency_syndrome GAP_LOW 0.1056 0.0 mitiglinide Low-priority: Computational docking vorinostat vs acquired_immunodeficiency_syndrome targets. Cross-check vorinostat pharmacophore against acquired_immunodeficiency_syndrome pathway. pseudoephedrine peripheral_nervous_system_neoplasm GAP_HIGH 0.1055 0.3 epinephrine High-priority: Binding assay pseudoephedrine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to epinephrine (Jaccard=0.30) l-tyrosine psoriasis GAP_HIGH 0.1055 0.27586206896551724 suprofen High-priority: Binding assay l-tyrosine→?; validate in psoriasis cell model. Expected: similar to suprofen (Jaccard=0.28) eplerenone bipolar_disorder GAP_HIGH 0.1055 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) estradiol_valeratedienogest amyotrophic_lateral_sclerosis GAP_HIGH 0.1055 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) bethanidine esophageal_cancer GAP_HIGH 0.1055 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) phenacemide acquired_immunodeficiency_syndrome GAP_HIGH 0.1055 0.16 mitiglinide High-priority: Binding assay phenacemide→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to mitiglinide (Jaccard=0.16) l-glutamine vitiligo GAP_HIGH 0.1055 0.1511627906976744 l-histidine High-priority: Binding assay l-glutamine→?; validate in vitiligo cell model. Expected: similar to l-histidine (Jaccard=0.15) chloroprocaine brain_cancer GAP_LOW 0.1055 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs brain_cancer targets. Cross-check chloroprocaine pharmacophore against brain_cancer pathway. chloroprocaine intracranial_aneurysm GAP_LOW 0.1055 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs intracranial_aneurysm targets. Cross-check chloroprocaine pharmacophore against intracranial_aneurysm pathway. enalapril systemic_lupus_erythematosus GAP_LOW 0.1055 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs systemic_lupus_erythematosus targets. Cross-check enalapril pharmacophore against systemic_lupus_erythematosus pathway. sulfamethizole bipolar_disorder GAP_LOW 0.1055 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs bipolar_disorder targets. Cross-check sulfamethizole pharmacophore against bipolar_disorder pathway. adenine prostate_cancer GAP_LOW 0.1055 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs prostate_cancer targets. Cross-check adenine pharmacophore against prostate_cancer pathway. enalapril chronic_obstructive_pulmonary_disease GAP_LOW 0.1055 0.13333333333333333 imipramine Low-priority: Computational docking enalapril vs chronic_obstructive_pulmonary_disease targets. Cross-check enalapril pharmacophore against chronic_obstructive_pulmonary_disease pathway. aprindine malaria GAP_LOW 0.1055 0.125 warfarin Low-priority: Computational docking aprindine vs malaria targets. Cross-check aprindine pharmacophore against malaria pathway. estazolam crohns_disease GAP_LOW 0.1055 0.12195121951219512 mazindol Low-priority: Computational docking estazolam vs crohns_disease targets. Cross-check estazolam pharmacophore against crohns_disease pathway. abacavir polycystic_ovary_syndrome GAP_LOW 0.1055 0.11764705882352941 lamivudine Low-priority: Computational docking abacavir vs polycystic_ovary_syndrome targets. Cross-check abacavir pharmacophore against polycystic_ovary_syndrome pathway. allylestrenol creutzfeldt-jakob_disease GAP_LOW 0.1055 0.1111111111111111 raloxifene Low-priority: Computational docking allylestrenol vs creutzfeldt-jakob_disease targets. Cross-check allylestrenol pharmacophore against creutzfeldt-jakob_disease pathway. hydromorphone nephrolithiasis GAP_LOW 0.1055 0.09090909090909091 spironolactone Low-priority: Computational docking hydromorphone vs nephrolithiasis targets. Cross-check hydromorphone pharmacophore against nephrolithiasis pathway. hydromorphone refractive_error GAP_LOW 0.1055 0.09090909090909091 practolol Low-priority: Computational docking hydromorphone vs refractive_error targets. Cross-check hydromorphone pharmacophore against refractive_error pathway. paricalcitol epilepsy_syndrome GAP_LOW 0.1055 0.09090909090909091 ketorolac Low-priority: Computational docking paricalcitol vs epilepsy_syndrome targets. Cross-check paricalcitol pharmacophore against epilepsy_syndrome pathway. vidarabine larynx_cancer GAP_LOW 0.1055 0.09090909090909091 methotrexate Low-priority: Computational docking vidarabine vs larynx_cancer targets. Cross-check vidarabine pharmacophore against larynx_cancer pathway. desmopressin osteoporosis GAP_LOW 0.1055 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs osteoporosis targets. Cross-check desmopressin pharmacophore against osteoporosis pathway. desmopressin ovarian_cancer GAP_LOW 0.1055 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs ovarian_cancer targets. Cross-check desmopressin pharmacophore against ovarian_cancer pathway. desmopressin psoriasis GAP_LOW 0.1055 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs psoriasis targets. Cross-check desmopressin pharmacophore against psoriasis pathway. practolol hepatitis_b GAP_LOW 0.1055 0.07142857142857142 mitiglinide Low-priority: Computational docking practolol vs hepatitis_b targets. Cross-check practolol pharmacophore against hepatitis_b pathway. sulfanilamide chronic_kidney_failure GAP_LOW 0.1055 0.07142857142857142 midazolam Low-priority: Computational docking sulfanilamide vs chronic_kidney_failure targets. Cross-check sulfanilamide pharmacophore against chronic_kidney_failure pathway. desmopressin hematologic_cancer GAP_LOW 0.1055 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs hematologic_cancer targets. Cross-check desmopressin pharmacophore against hematologic_cancer pathway. desmopressin narcolepsy GAP_LOW 0.1055 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs narcolepsy targets. Cross-check desmopressin pharmacophore against narcolepsy pathway. dyphylline uterine_fibroid GAP_LOW 0.1055 0.06666666666666667 gemcitabine Low-priority: Computational docking dyphylline vs uterine_fibroid targets. Cross-check dyphylline pharmacophore against uterine_fibroid pathway. tolmetin lymphatic_system_cancer GAP_LOW 0.1055 0.06451612903225806 glucosamine Low-priority: Computational docking tolmetin vs lymphatic_system_cancer targets. Cross-check tolmetin pharmacophore against lymphatic_system_cancer pathway. aciclovir crohns_disease GAP_LOW 0.1055 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs crohns_disease targets. Cross-check aciclovir pharmacophore against crohns_disease pathway. conivaptan ankylosing_spondylitis GAP_LOW 0.1055 0.0 flurazepam Low-priority: Computational docking conivaptan vs ankylosing_spondylitis targets. Cross-check conivaptan pharmacophore against ankylosing_spondylitis pathway. mannitol uterine_fibroid GAP_LOW 0.1055 0.0 hydrocortisone Low-priority: Computational docking mannitol vs uterine_fibroid targets. Cross-check mannitol pharmacophore against uterine_fibroid pathway. estradiol malignant_mesothelioma GAP_HIGH 0.1054 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in malignant_mesothelioma cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) eplerenone endogenous_depression GAP_HIGH 0.1054 0.1875 levorphanol High-priority: Binding assay eplerenone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) bevantolol meningioma GAP_HIGH 0.1054 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in meningioma cell model. Expected: similar to ifenprodil (Jaccard=0.19) lisinopril breast_cancer GAP_HIGH 0.1054 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in breast_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) cinnarizine meningioma GAP_HIGH 0.1054 0.17647058823529413 phenylbutazone High-priority: Binding assay cinnarizine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.18) sulfapyridine salivary_gland_cancer GAP_HIGH 0.1054 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in salivary_gland_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) oxybuprocaine salivary_gland_cancer GAP_HIGH 0.1054 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) docetaxel membranous_glomerulonephritis GAP_HIGH 0.1054 0.16666666666666666 bumetanide High-priority: Binding assay docetaxel→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bumetanide (Jaccard=0.17) tolterodine penile_cancer GAP_HIGH 0.1054 0.16666666666666666 methadone High-priority: Binding assay tolterodine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.17) alvimopan mediastinal_cancer GAP_HIGH 0.1054 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.16) adenosine_monophosphate kidney_cancer GAP_LOW 0.1054 0.14754098360655737 lamivudine Low-priority: Computational docking adenosine_monophosphate vs kidney_cancer targets. Cross-check adenosine_monophosphate pharmacophore against kidney_cancer pathway. l-tryptophan prostate_cancer GAP_LOW 0.1054 0.14285714285714285 estriol Low-priority: Computational docking l-tryptophan vs prostate_cancer targets. Cross-check l-tryptophan pharmacophore against prostate_cancer pathway. sulfamethizole endogenous_depression GAP_LOW 0.1054 0.14285714285714285 quinethazone Low-priority: Computational docking sulfamethizole vs endogenous_depression targets. Cross-check sulfamethizole pharmacophore against endogenous_depression pathway. clonazepam urinary_bladder_cancer GAP_LOW 0.1054 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs urinary_bladder_cancer targets. Cross-check clonazepam pharmacophore against urinary_bladder_cancer pathway. nateglinide bone_cancer GAP_LOW 0.1054 0.125 alendronate Low-priority: Computational docking nateglinide vs bone_cancer targets. Cross-check nateglinide pharmacophore against bone_cancer pathway. cinchocaine skin_cancer GAP_LOW 0.1054 0.1111111111111111 warfarin Low-priority: Computational docking cinchocaine vs skin_cancer targets. Cross-check cinchocaine pharmacophore against skin_cancer pathway. imipramine refractive_error GAP_LOW 0.1054 0.1111111111111111 choline Low-priority: Computational docking imipramine vs refractive_error targets. Cross-check imipramine pharmacophore against refractive_error pathway. lenalidomide colon_cancer GAP_LOW 0.1054 0.1111111111111111 isoprenaline Low-priority: Computational docking lenalidomide vs colon_cancer targets. Cross-check lenalidomide pharmacophore against colon_cancer pathway. cinchocaine peripheral_nervous_system_neoplasm GAP_LOW 0.1054 0.10526315789473684 methylphenidate Low-priority: Computational docking cinchocaine vs peripheral_nervous_system_neoplasm targets. Cross-check cinchocaine pharmacophore against peripheral_nervous_system_neoplasm pathway. sulfanilamide pharynx_cancer GAP_LOW 0.1054 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs pharynx_cancer targets. Cross-check sulfanilamide pharmacophore against pharynx_cancer pathway. alitretinoin refractive_error GAP_LOW 0.1054 0.08333333333333333 choline Low-priority: Computational docking alitretinoin vs refractive_error targets. Cross-check alitretinoin pharmacophore against refractive_error pathway. desmopressin migraine GAP_LOW 0.1054 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs migraine targets. Cross-check desmopressin pharmacophore against migraine pathway. dihydrotachysterol crohns_disease GAP_LOW 0.1054 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs crohns_disease targets. Cross-check dihydrotachysterol pharmacophore against crohns_disease pathway. hydrochlorothiazide liver_cancer GAP_LOW 0.1054 0.07692307692307693 etoricoxib Low-priority: Computational docking hydrochlorothiazide vs liver_cancer targets. Cross-check hydrochlorothiazide pharmacophore against liver_cancer pathway. imatinib chronic_kidney_failure GAP_LOW 0.1054 0.075 acetylsalicylic_acid Low-priority: Computational docking imatinib vs chronic_kidney_failure targets. Cross-check imatinib pharmacophore against chronic_kidney_failure pathway. diclofenamide malignant_mesothelioma GAP_LOW 0.1054 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs malignant_mesothelioma targets. Cross-check diclofenamide pharmacophore against malignant_mesothelioma pathway. lenalidomide type_1_diabetes_mellitus GAP_LOW 0.1054 0.0625 droxidopa Low-priority: Computational docking lenalidomide vs type_1_diabetes_mellitus targets. Cross-check lenalidomide pharmacophore against type_1_diabetes_mellitus pathway. colchicine coronary_artery_disease GAP_LOW 0.1054 0.047619047619047616 progesterone Low-priority: Computational docking colchicine vs coronary_artery_disease targets. Cross-check colchicine pharmacophore against coronary_artery_disease pathway. vandetanib leprosy GAP_LOW 0.1054 0.03389830508474576 pomalidomide Low-priority: Computational docking vandetanib vs leprosy targets. Cross-check vandetanib pharmacophore against leprosy pathway. conivaptan chronic_obstructive_pulmonary_disease GAP_LOW 0.1054 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs chronic_obstructive_pulmonary_disease targets. Cross-check conivaptan pharmacophore against chronic_obstructive_pulmonary_disease pathway. dexamethasone restless_legs_syndrome GAP_HIGH 0.1053 0.2727272727272727 l-arginine High-priority: Binding assay dexamethasone→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.27) atomoxetine uterine_cancer GAP_HIGH 0.1053 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) mazindol thyroid_cancer GAP_HIGH 0.1053 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) midazolam skin_cancer GAP_HIGH 0.1053 0.2 oxcarbazepine High-priority: Binding assay midazolam→?; validate in skin_cancer cell model. Expected: similar to oxcarbazepine (Jaccard=0.20) buclizine celiac_disease GAP_HIGH 0.1053 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) lisinopril atopic_dermatitis GAP_HIGH 0.1053 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in atopic_dermatitis cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril colon_cancer GAP_HIGH 0.1053 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in colon_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril stomach_cancer GAP_HIGH 0.1053 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in stomach_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) estradiol_valeratedienogest attention_deficit_hyperactivity_disorder GAP_HIGH 0.1053 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) sulfapyridine muscle_cancer GAP_HIGH 0.1053 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in muscle_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) s-adenosylmethionine lung_cancer GAP_HIGH 0.1053 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in lung_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) s-adenosylmethionine rectum_cancer GAP_HIGH 0.1053 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in rectum_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) glucosamine alzheimers_disease GAP_HIGH 0.1053 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in alzheimers_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) alvimopan thymus_cancer GAP_HIGH 0.1053 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.16) adenosine_monophosphate nephrolithiasis GAP_LOW 0.1053 0.14754098360655737 lamivudine Low-priority: Computational docking adenosine_monophosphate vs nephrolithiasis targets. Cross-check adenosine_monophosphate pharmacophore against nephrolithiasis pathway. cladribine type_2_diabetes_mellitus GAP_LOW 0.1053 0.14285714285714285 gemcitabine Low-priority: Computational docking cladribine vs type_2_diabetes_mellitus targets. Cross-check cladribine pharmacophore against type_2_diabetes_mellitus pathway. clodronate glaucoma GAP_LOW 0.1053 0.14285714285714285 ritodrine Low-priority: Computational docking clodronate vs glaucoma targets. Cross-check clodronate pharmacophore against glaucoma pathway. enalapril skin_cancer GAP_LOW 0.1053 0.14285714285714285 alvimopan Low-priority: Computational docking enalapril vs skin_cancer targets. Cross-check enalapril pharmacophore against skin_cancer pathway. sulfamethizole migraine GAP_LOW 0.1053 0.14285714285714285 quinethazone Low-priority: Computational docking sulfamethizole vs migraine targets. Cross-check sulfamethizole pharmacophore against migraine pathway. sulfamethizole multiple_sclerosis GAP_LOW 0.1053 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs multiple_sclerosis targets. Cross-check sulfamethizole pharmacophore against multiple_sclerosis pathway. adenine mediastinal_cancer GAP_LOW 0.1053 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs mediastinal_cancer targets. Cross-check adenine pharmacophore against mediastinal_cancer pathway. sulfamethizole pharynx_cancer GAP_LOW 0.1053 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs pharynx_cancer targets. Cross-check sulfamethizole pharmacophore against pharynx_cancer pathway. floctafenine esophageal_cancer GAP_LOW 0.1053 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs esophageal_cancer targets. Cross-check floctafenine pharmacophore against esophageal_cancer pathway. sulfamethizole azoospermia GAP_LOW 0.1053 0.1111111111111111 meclizine Low-priority: Computational docking sulfamethizole vs azoospermia targets. Cross-check sulfamethizole pharmacophore against azoospermia pathway. topotecan atherosclerosis GAP_LOW 0.1053 0.1111111111111111 clofibrate Low-priority: Computational docking topotecan vs atherosclerosis targets. Cross-check topotecan pharmacophore against atherosclerosis pathway. tretinoin panic_disorder GAP_LOW 0.1053 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs panic_disorder targets. Cross-check tretinoin pharmacophore against panic_disorder pathway. tretinoin schizophrenia GAP_LOW 0.1053 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs schizophrenia targets. Cross-check tretinoin pharmacophore against schizophrenia pathway. probenecid gilles_de_la_tourette_syndrome GAP_LOW 0.1053 0.10344827586206896 modafinil Low-priority: Computational docking probenecid vs gilles_de_la_tourette_syndrome targets. Cross-check probenecid pharmacophore against gilles_de_la_tourette_syndrome pathway. anisotropine_methylbromide chronic_kidney_failure GAP_LOW 0.1053 0.1 cinolazepam Low-priority: Computational docking anisotropine_methylbromide vs chronic_kidney_failure targets. Cross-check anisotropine_methylbromide pharmacophore against chronic_kidney_failure pathway. enalapril head_and_neck_cancer GAP_LOW 0.1053 0.1 doxorubicin Low-priority: Computational docking enalapril vs head_and_neck_cancer targets. Cross-check enalapril pharmacophore against head_and_neck_cancer pathway. enalapril malignant_glioma GAP_LOW 0.1053 0.1 doxorubicin Low-priority: Computational docking enalapril vs malignant_glioma targets. Cross-check enalapril pharmacophore against malignant_glioma pathway. flurazepam idiopathic_pulmonary_fibrosis GAP_LOW 0.1053 0.1 gatifloxacin Low-priority: Computational docking flurazepam vs idiopathic_pulmonary_fibrosis targets. Cross-check flurazepam pharmacophore against idiopathic_pulmonary_fibrosis pathway. lisinopril lymphatic_system_cancer GAP_LOW 0.1053 0.1 aciclovir Low-priority: Computational docking lisinopril vs lymphatic_system_cancer targets. Cross-check lisinopril pharmacophore against lymphatic_system_cancer pathway. nitrazepam malaria GAP_LOW 0.1053 0.1 theophylline Low-priority: Computational docking nitrazepam vs malaria targets. Cross-check nitrazepam pharmacophore against malaria pathway. trilostane azoospermia GAP_LOW 0.1053 0.1 dienestrol Low-priority: Computational docking trilostane vs azoospermia targets. Cross-check trilostane pharmacophore against azoospermia pathway. vitamin_a lung_cancer GAP_LOW 0.1053 0.08333333333333333 danazol Low-priority: Computational docking vitamin_a vs lung_cancer targets. Cross-check vitamin_a pharmacophore against lung_cancer pathway. ospemifene chronic_kidney_failure GAP_LOW 0.1053 0.08 toremifene Low-priority: Computational docking ospemifene vs chronic_kidney_failure targets. Cross-check ospemifene pharmacophore against chronic_kidney_failure pathway. desogestrel focal_segmental_glomerulosclerosis GAP_LOW 0.1053 0.07692307692307693 calcitriol Low-priority: Computational docking desogestrel vs focal_segmental_glomerulosclerosis targets. Cross-check desogestrel pharmacophore against focal_segmental_glomerulosclerosis pathway. paclitaxel gestational_diabetes GAP_LOW 0.1053 0.07142857142857142 gliclazide Low-priority: Computational docking paclitaxel vs gestational_diabetes targets. Cross-check paclitaxel pharmacophore against gestational_diabetes pathway. desmopressin nephrolithiasis GAP_LOW 0.1053 0.043478260869565216 prednisone Low-priority: Computational docking desmopressin vs nephrolithiasis targets. Cross-check desmopressin pharmacophore against nephrolithiasis pathway. desmopressin refractive_error GAP_LOW 0.1053 0.043478260869565216 droxidopa Low-priority: Computational docking desmopressin vs refractive_error targets. Cross-check desmopressin pharmacophore against refractive_error pathway. procainamide leprosy GAP_LOW 0.1053 0.017543859649122806 lenalidomide Low-priority: Computational docking procainamide vs leprosy targets. Cross-check procainamide pharmacophore against leprosy pathway. acetic_acid brain_cancer GAP_LOW 0.1053 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs brain_cancer targets. Cross-check acetic_acid pharmacophore against brain_cancer pathway. amcinonide pagets_disease_of_bone GAP_LOW 0.1053 0.0 ibandronate Low-priority: Computational docking amcinonide vs pagets_disease_of_bone targets. Cross-check amcinonide pharmacophore against pagets_disease_of_bone pathway. benzthiazide brain_cancer GAP_LOW 0.1053 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs brain_cancer targets. Cross-check benzthiazide pharmacophore against brain_cancer pathway. benzthiazide intracranial_aneurysm GAP_LOW 0.1053 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs intracranial_aneurysm targets. Cross-check benzthiazide pharmacophore against intracranial_aneurysm pathway. conivaptan epilepsy_syndrome GAP_LOW 0.1053 0.0 flurazepam Low-priority: Computational docking conivaptan vs epilepsy_syndrome targets. Cross-check conivaptan pharmacophore against epilepsy_syndrome pathway. mannitol restless_legs_syndrome GAP_LOW 0.1053 0.0 flurazepam Low-priority: Computational docking mannitol vs restless_legs_syndrome targets. Cross-check mannitol pharmacophore against restless_legs_syndrome pathway. streptozocin brain_cancer GAP_LOW 0.1053 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs brain_cancer targets. Cross-check streptozocin pharmacophore against brain_cancer pathway. streptozocin intracranial_aneurysm GAP_LOW 0.1053 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs intracranial_aneurysm targets. Cross-check streptozocin pharmacophore against intracranial_aneurysm pathway. testolactone pagets_disease_of_bone GAP_LOW 0.1053 0.0 ibandronate Low-priority: Computational docking testolactone vs pagets_disease_of_bone targets. Cross-check testolactone pharmacophore against pagets_disease_of_bone pathway. spironolactone pancreatitis GAP_HIGH 0.1052 0.2631578947368421 fluoxymesterone High-priority: Binding assay spironolactone→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.26) salicylic_acid uterine_cancer GAP_HIGH 0.1052 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in uterine_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) sunitinib duodenum_cancer GAP_HIGH 0.1052 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in duodenum_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) sunitinib gallbladder_cancer GAP_HIGH 0.1052 0.2 doxorubicin High-priority: Binding assay sunitinib→?; validate in gallbladder_cancer cell model. Expected: similar to doxorubicin (Jaccard=0.20) buclizine chronic_kidney_failure GAP_HIGH 0.1052 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) lisinopril pancreatic_cancer GAP_HIGH 0.1052 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in pancreatic_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril ulcerative_colitis GAP_HIGH 0.1052 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in ulcerative_colitis cell model. Expected: similar to desipramine (Jaccard=0.18) floctafenine amyotrophic_lateral_sclerosis GAP_HIGH 0.1052 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) oxybuprocaine rectum_cancer GAP_HIGH 0.1052 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in rectum_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) clonidine gilles_de_la_tourette_syndrome GAP_HIGH 0.1052 0.16666666666666666 alvimopan High-priority: Binding assay clonidine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.17) glucosamine parkinsons_disease GAP_HIGH 0.1052 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in parkinsons_disease cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) diclofenac sclerosing_cholangitis GAP_HIGH 0.1052 0.16 pseudoephedrine High-priority: Binding assay diclofenac→?; validate in sclerosing_cholangitis cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) sulfapyridine prostate_cancer GAP_HIGH 0.1052 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) procaine brain_cancer GAP_HIGH 0.1052 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in brain_cancer cell model. Expected: similar to drospirenone (Jaccard=0.15) procaine intracranial_aneurysm GAP_HIGH 0.1052 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in intracranial_aneurysm cell model. Expected: similar to drospirenone (Jaccard=0.15) enalapril osteoarthritis GAP_LOW 0.1052 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs osteoarthritis targets. Cross-check enalapril pharmacophore against osteoarthritis pathway. adenine thymus_cancer GAP_LOW 0.1052 0.13333333333333333 tetrahydrofolic_acid Low-priority: Computational docking adenine vs thymus_cancer targets. Cross-check adenine pharmacophore against thymus_cancer pathway. fludiazepam atherosclerosis GAP_LOW 0.1052 0.13157894736842105 flurbiprofen Low-priority: Computational docking fludiazepam vs atherosclerosis targets. Cross-check fludiazepam pharmacophore against atherosclerosis pathway. indapamide malignant_mesothelioma GAP_LOW 0.1052 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs malignant_mesothelioma targets. Cross-check indapamide pharmacophore against malignant_mesothelioma pathway. oxybuprocaine alopecia_areata GAP_LOW 0.1052 0.12 drospirenone Low-priority: Computational docking oxybuprocaine vs alopecia_areata targets. Cross-check oxybuprocaine pharmacophore against alopecia_areata pathway. lisinopril larynx_cancer GAP_LOW 0.1052 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs larynx_cancer targets. Cross-check lisinopril pharmacophore against larynx_cancer pathway. alitretinoin pancreatitis GAP_LOW 0.1052 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs pancreatitis targets. Cross-check alitretinoin pharmacophore against pancreatitis pathway. hydromorphone melanoma GAP_LOW 0.1052 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs melanoma targets. Cross-check hydromorphone pharmacophore against melanoma pathway. ospemifene epilepsy_syndrome GAP_LOW 0.1052 0.1111111111111111 menadione Low-priority: Computational docking ospemifene vs epilepsy_syndrome targets. Cross-check ospemifene pharmacophore against epilepsy_syndrome pathway. probenecid head_and_neck_cancer GAP_LOW 0.1052 0.1111111111111111 topotecan Low-priority: Computational docking probenecid vs head_and_neck_cancer targets. Cross-check probenecid pharmacophore against head_and_neck_cancer pathway. probenecid malignant_glioma GAP_LOW 0.1052 0.1111111111111111 topotecan Low-priority: Computational docking probenecid vs malignant_glioma targets. Cross-check probenecid pharmacophore against malignant_glioma pathway. tretinoin conduct_disorder GAP_LOW 0.1052 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs conduct_disorder targets. Cross-check tretinoin pharmacophore against conduct_disorder pathway. enalapril nephrolithiasis GAP_LOW 0.1052 0.1 doxorubicin Low-priority: Computational docking enalapril vs nephrolithiasis targets. Cross-check enalapril pharmacophore against nephrolithiasis pathway. flurazepam azoospermia GAP_LOW 0.1052 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs azoospermia targets. Cross-check flurazepam pharmacophore against azoospermia pathway. desmopressin systemic_lupus_erythematosus GAP_LOW 0.1052 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs systemic_lupus_erythematosus targets. Cross-check desmopressin pharmacophore against systemic_lupus_erythematosus pathway. ribavirin refractive_error GAP_LOW 0.1052 0.08 l-carnitine Low-priority: Computational docking ribavirin vs refractive_error targets. Cross-check ribavirin pharmacophore against refractive_error pathway. indomethacin melanoma GAP_LOW 0.1052 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs melanoma targets. Cross-check indomethacin pharmacophore against melanoma pathway. danazol hepatitis_b GAP_LOW 0.1052 0.07142857142857142 trandolapril Low-priority: Computational docking danazol vs hepatitis_b targets. Cross-check danazol pharmacophore against hepatitis_b pathway. sulfanilamide focal_segmental_glomerulosclerosis GAP_LOW 0.1052 0.058823529411764705 chlorthalidone Low-priority: Computational docking sulfanilamide vs focal_segmental_glomerulosclerosis targets. Cross-check sulfanilamide pharmacophore against focal_segmental_glomerulosclerosis pathway. cytarabine azoospermia GAP_LOW 0.1052 0.047619047619047616 procaine Low-priority: Computational docking cytarabine vs azoospermia targets. Cross-check cytarabine pharmacophore against azoospermia pathway. azacitidine malaria GAP_LOW 0.1052 0.045454545454545456 caffeine Low-priority: Computational docking azacitidine vs malaria targets. Cross-check azacitidine pharmacophore against malaria pathway. proparacaine alopecia_areata GAP_LOW 0.1052 0.045454545454545456 levorphanol Low-priority: Computational docking proparacaine vs alopecia_areata targets. Cross-check proparacaine pharmacophore against alopecia_areata pathway. clonidine leprosy GAP_LOW 0.1052 0.03571428571428571 sulfapyridine Low-priority: Computational docking clonidine vs leprosy targets. Cross-check clonidine pharmacophore against leprosy pathway. dyphylline azoospermia GAP_LOW 0.1052 0.034482758620689655 bevantolol Low-priority: Computational docking dyphylline vs azoospermia targets. Cross-check dyphylline pharmacophore against azoospermia pathway. l-methionine sclerosing_cholangitis GAP_LOW 0.1052 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs sclerosing_cholangitis targets. Cross-check l-methionine pharmacophore against sclerosing_cholangitis pathway. aciclovir dilated_cardiomyopathy GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking aciclovir vs dilated_cardiomyopathy targets. Cross-check aciclovir pharmacophore against dilated_cardiomyopathy pathway. adenosine dilated_cardiomyopathy GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking adenosine vs dilated_cardiomyopathy targets. Cross-check adenosine pharmacophore against dilated_cardiomyopathy pathway. adinazolam dilated_cardiomyopathy GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking adinazolam vs dilated_cardiomyopathy targets. Cross-check adinazolam pharmacophore against dilated_cardiomyopathy pathway. choline hepatitis_b GAP_LOW 0.1052 0.0 mitiglinide Low-priority: Computational docking choline vs hepatitis_b targets. Cross-check choline pharmacophore against hepatitis_b pathway. mannitol polycystic_ovary_syndrome GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking mannitol vs polycystic_ovary_syndrome targets. Cross-check mannitol pharmacophore against polycystic_ovary_syndrome pathway. mannitol type_2_diabetes_mellitus GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking mannitol vs type_2_diabetes_mellitus targets. Cross-check mannitol pharmacophore against type_2_diabetes_mellitus pathway. mannitol vitiligo GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking mannitol vs vitiligo targets. Cross-check mannitol pharmacophore against vitiligo pathway. paricalcitol dilated_cardiomyopathy GAP_LOW 0.1052 0.0 hydrocortisone Low-priority: Computational docking paricalcitol vs dilated_cardiomyopathy targets. Cross-check paricalcitol pharmacophore against dilated_cardiomyopathy pathway. phenelzine colon_cancer GAP_HIGH 0.1051 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) phenelzine stomach_cancer GAP_HIGH 0.1051 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) atomoxetine membranous_glomerulonephritis GAP_HIGH 0.1051 0.23076923076923078 promethazine High-priority: Binding assay atomoxetine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.23) salicylic_acid sarcoma GAP_HIGH 0.1051 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in sarcoma cell model. Expected: similar to clonidine (Jaccard=0.23) desipramine malignant_mesothelioma GAP_HIGH 0.1051 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.22) phenytoin atherosclerosis GAP_HIGH 0.1051 0.21428571428571427 flurbiprofen High-priority: Binding assay phenytoin→?; validate in atherosclerosis cell model. Expected: similar to flurbiprofen (Jaccard=0.21) ketoprofen asthma GAP_HIGH 0.1051 0.2 penbutolol High-priority: Binding assay ketoprofen→?; validate in asthma cell model. Expected: similar to penbutolol (Jaccard=0.20) vismodegib pharynx_cancer GAP_HIGH 0.1051 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in pharynx_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) lisinopril osteoporosis GAP_HIGH 0.1051 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in osteoporosis cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril ovarian_cancer GAP_HIGH 0.1051 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in ovarian_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril psoriasis GAP_HIGH 0.1051 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in psoriasis cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril uterine_cancer GAP_HIGH 0.1051 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) sulfapyridine ocular_cancer GAP_HIGH 0.1051 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in ocular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) oxybuprocaine ocular_cancer GAP_HIGH 0.1051 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) azatadine brain_cancer GAP_HIGH 0.1051 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in brain_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) azatadine intracranial_aneurysm GAP_HIGH 0.1051 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in intracranial_aneurysm cell model. Expected: similar to alendronate (Jaccard=0.17) mitiglinide kidney_cancer GAP_HIGH 0.1051 0.16666666666666666 clofibrate High-priority: Binding assay mitiglinide→?; validate in kidney_cancer cell model. Expected: similar to clofibrate (Jaccard=0.17) glucosamine amyotrophic_lateral_sclerosis GAP_HIGH 0.1051 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) docetaxel celiac_disease GAP_HIGH 0.1051 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in celiac_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) ifenprodil malaria GAP_HIGH 0.1051 0.15625 modafinil High-priority: Binding assay ifenprodil→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.16) fluorometholone focal_segmental_glomerulosclerosis GAP_HIGH 0.1051 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to floctafenine (Jaccard=0.15) enalapril testicular_cancer GAP_LOW 0.1051 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs testicular_cancer targets. Cross-check enalapril pharmacophore against testicular_cancer pathway. enalapril vaginal_cancer GAP_LOW 0.1051 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs vaginal_cancer targets. Cross-check enalapril pharmacophore against vaginal_cancer pathway. enalapril vulva_cancer GAP_LOW 0.1051 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs vulva_cancer targets. Cross-check enalapril pharmacophore against vulva_cancer pathway. olanzapine sarcoma GAP_LOW 0.1051 0.14285714285714285 vorinostat Low-priority: Computational docking olanzapine vs sarcoma targets. Cross-check olanzapine pharmacophore against sarcoma pathway. teniposide membranous_glomerulonephritis GAP_LOW 0.1051 0.14285714285714285 amsacrine Low-priority: Computational docking teniposide vs membranous_glomerulonephritis targets. Cross-check teniposide pharmacophore against membranous_glomerulonephritis pathway. adenine coronary_artery_disease GAP_LOW 0.1051 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs coronary_artery_disease targets. Cross-check adenine pharmacophore against coronary_artery_disease pathway. sulfamethizole thyroid_cancer GAP_LOW 0.1051 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs thyroid_cancer targets. Cross-check sulfamethizole pharmacophore against thyroid_cancer pathway. estazolam prostate_cancer GAP_LOW 0.1051 0.12195121951219512 mazindol Low-priority: Computational docking estazolam vs prostate_cancer targets. Cross-check estazolam pharmacophore against prostate_cancer pathway. etoricoxib alcohol_dependence GAP_LOW 0.1051 0.12195121951219512 mazindol Low-priority: Computational docking etoricoxib vs alcohol_dependence targets. Cross-check etoricoxib pharmacophore against alcohol_dependence pathway. mepyramine penile_cancer GAP_LOW 0.1051 0.11538461538461539 diphenylpyraline Low-priority: Computational docking mepyramine vs penile_cancer targets. Cross-check mepyramine pharmacophore against penile_cancer pathway. tretinoin bipolar_disorder GAP_LOW 0.1051 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs bipolar_disorder targets. Cross-check tretinoin pharmacophore against bipolar_disorder pathway. cladribine refractive_error GAP_LOW 0.1051 0.10526315789473684 l-carnitine Low-priority: Computational docking cladribine vs refractive_error targets. Cross-check cladribine pharmacophore against refractive_error pathway. bepotastine type_1_diabetes_mellitus GAP_LOW 0.1051 0.1 cyclopentolate Low-priority: Computational docking bepotastine vs type_1_diabetes_mellitus targets. Cross-check bepotastine pharmacophore against type_1_diabetes_mellitus pathway. arbutamine lymphatic_system_cancer GAP_LOW 0.1051 0.09090909090909091 streptozocin Low-priority: Computational docking arbutamine vs lymphatic_system_cancer targets. Cross-check arbutamine pharmacophore against lymphatic_system_cancer pathway. chlorpropamide breast_cancer GAP_LOW 0.1051 0.08695652173913043 pargyline Low-priority: Computational docking chlorpropamide vs breast_cancer targets. Cross-check chlorpropamide pharmacophore against breast_cancer pathway. indomethacin duodenum_cancer GAP_LOW 0.1051 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs duodenum_cancer targets. Cross-check indomethacin pharmacophore against duodenum_cancer pathway. indomethacin gallbladder_cancer GAP_LOW 0.1051 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs gallbladder_cancer targets. Cross-check indomethacin pharmacophore against gallbladder_cancer pathway. tioguanine alopecia_areata GAP_LOW 0.1051 0.07692307692307693 estradiol_valeratedienogest Low-priority: Computational docking tioguanine vs alopecia_areata targets. Cross-check tioguanine pharmacophore against alopecia_areata pathway. clotiazepam mediastinal_cancer GAP_LOW 0.1051 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs mediastinal_cancer targets. Cross-check clotiazepam pharmacophore against mediastinal_cancer pathway. gemcitabine bone_cancer GAP_LOW 0.1051 0.07142857142857142 tetrahydrofolic_acid Low-priority: Computational docking gemcitabine vs bone_cancer targets. Cross-check gemcitabine pharmacophore against bone_cancer pathway. desmopressin meningioma GAP_LOW 0.1051 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs meningioma targets. Cross-check desmopressin pharmacophore against meningioma pathway. zafirlukast head_and_neck_cancer GAP_LOW 0.1051 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs head_and_neck_cancer targets. Cross-check zafirlukast pharmacophore against head_and_neck_cancer pathway. zafirlukast malignant_glioma GAP_LOW 0.1051 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs malignant_glioma targets. Cross-check zafirlukast pharmacophore against malignant_glioma pathway. zafirlukast esophageal_cancer GAP_LOW 0.1051 0.045454545454545456 melphalan Low-priority: Computational docking zafirlukast vs esophageal_cancer targets. Cross-check zafirlukast pharmacophore against esophageal_cancer pathway. sotalol alcohol_dependence GAP_LOW 0.1051 0.041666666666666664 levorphanol Low-priority: Computational docking sotalol vs alcohol_dependence targets. Cross-check sotalol pharmacophore against alcohol_dependence pathway. ketoprofen gestational_diabetes GAP_LOW 0.1051 0.04 bezafibrate Low-priority: Computational docking ketoprofen vs gestational_diabetes targets. Cross-check ketoprofen pharmacophore against gestational_diabetes pathway. conivaptan pancreatitis GAP_LOW 0.1051 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs pancreatitis targets. Cross-check conivaptan pharmacophore against pancreatitis pathway. diphenylpyraline pagets_disease_of_bone GAP_LOW 0.1051 0.0 ibandronate Low-priority: Computational docking diphenylpyraline vs pagets_disease_of_bone targets. Cross-check diphenylpyraline pharmacophore against pagets_disease_of_bone pathway. toremifene pagets_disease_of_bone GAP_LOW 0.1051 0.0 ibandronate Low-priority: Computational docking toremifene vs pagets_disease_of_bone targets. Cross-check toremifene pharmacophore against pagets_disease_of_bone pathway. chlorcyclizine gout GAP_HIGH 0.105 0.2857142857142857 pirenzepine High-priority: Binding assay chlorcyclizine→?; validate in gout cell model. Expected: similar to pirenzepine (Jaccard=0.29) diphenylpyraline focal_segmental_glomerulosclerosis GAP_HIGH 0.105 0.2727272727272727 naftifine High-priority: Binding assay diphenylpyraline→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.27) chlorprothixene mediastinal_cancer GAP_HIGH 0.105 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.26) phenytoin chronic_kidney_failure GAP_HIGH 0.105 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in chronic_kidney_failure cell model. Expected: similar to chlorprothixene (Jaccard=0.26) triflupromazine pancreatitis GAP_HIGH 0.105 0.25 epinastine High-priority: Binding assay triflupromazine→?; validate in pancreatitis cell model. Expected: similar to epinastine (Jaccard=0.25) triflupromazine azoospermia GAP_HIGH 0.105 0.2222222222222222 promethazine High-priority: Binding assay triflupromazine→?; validate in azoospermia cell model. Expected: similar to promethazine (Jaccard=0.22) cinnarizine vaginal_cancer GAP_HIGH 0.105 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in vaginal_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) cinnarizine vulva_cancer GAP_HIGH 0.105 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in vulva_cancer cell model. Expected: similar to letrozole (Jaccard=0.20) ketoprofen allergic_rhinitis GAP_HIGH 0.105 0.2 penbutolol High-priority: Binding assay ketoprofen→?; validate in allergic_rhinitis cell model. Expected: similar to penbutolol (Jaccard=0.20) estradiol_valeratedienogest schizophrenia GAP_HIGH 0.105 0.17647058823529413 diphemanil_methylsulfate High-priority: Binding assay estradiol_valeratedienogest→?; validate in schizophrenia cell model. Expected: similar to diphemanil_methylsulfate (Jaccard=0.18) chloroprocaine idiopathic_pulmonary_fibrosis GAP_HIGH 0.105 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to methylphenidate (Jaccard=0.17) mitiglinide nephrolithiasis GAP_HIGH 0.105 0.16666666666666666 probenecid High-priority: Binding assay mitiglinide→?; validate in nephrolithiasis cell model. Expected: similar to probenecid (Jaccard=0.17) crizotinib hematologic_cancer GAP_HIGH 0.105 0.16129032258064516 ponatinib High-priority: Binding assay crizotinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.16) sulfapyridine mediastinal_cancer GAP_HIGH 0.105 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) docetaxel chronic_kidney_failure GAP_HIGH 0.105 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) enalapril vascular_cancer GAP_LOW 0.105 0.14285714285714285 alvimopan Low-priority: Computational docking enalapril vs vascular_cancer targets. Cross-check enalapril pharmacophore against vascular_cancer pathway. adenosine_triphosphate kidney_cancer GAP_LOW 0.105 0.1282051282051282 lamivudine Low-priority: Computational docking adenosine_triphosphate vs kidney_cancer targets. Cross-check adenosine_triphosphate pharmacophore against kidney_cancer pathway. bevantolol malaria GAP_LOW 0.105 0.125 modafinil Low-priority: Computational docking bevantolol vs malaria targets. Cross-check bevantolol pharmacophore against malaria pathway. trilostane nicotine_dependence GAP_LOW 0.105 0.125 levorphanol Low-priority: Computational docking trilostane vs nicotine_dependence targets. Cross-check trilostane pharmacophore against nicotine_dependence pathway. ramipril esophageal_cancer GAP_LOW 0.105 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs esophageal_cancer targets. Cross-check ramipril pharmacophore against esophageal_cancer pathway. desogestrel epilepsy_syndrome GAP_LOW 0.105 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs epilepsy_syndrome targets. Cross-check desogestrel pharmacophore against epilepsy_syndrome pathway. probenecid refractive_error GAP_LOW 0.105 0.1111111111111111 metaraminol Low-priority: Computational docking probenecid vs refractive_error targets. Cross-check probenecid pharmacophore against refractive_error pathway. tretinoin endogenous_depression GAP_LOW 0.105 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs endogenous_depression targets. Cross-check tretinoin pharmacophore against endogenous_depression pathway. phenoxybenzamine atherosclerosis GAP_LOW 0.105 0.10526315789473684 warfarin Low-priority: Computational docking phenoxybenzamine vs atherosclerosis targets. Cross-check phenoxybenzamine pharmacophore against atherosclerosis pathway. cinchocaine salivary_gland_cancer GAP_LOW 0.105 0.1 modafinil Low-priority: Computational docking cinchocaine vs salivary_gland_cancer targets. Cross-check cinchocaine pharmacophore against salivary_gland_cancer pathway. paricalcitol lung_cancer GAP_LOW 0.105 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs lung_cancer targets. Cross-check paricalcitol pharmacophore against lung_cancer pathway. paricalcitol rectum_cancer GAP_LOW 0.105 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs rectum_cancer targets. Cross-check paricalcitol pharmacophore against rectum_cancer pathway. telmisartan meningioma GAP_LOW 0.105 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs meningioma targets. Cross-check telmisartan pharmacophore against meningioma pathway. acetylsalicylic_acid gestational_diabetes GAP_LOW 0.105 0.08571428571428572 bezafibrate Low-priority: Computational docking acetylsalicylic_acid vs gestational_diabetes targets. Cross-check acetylsalicylic_acid pharmacophore against gestational_diabetes pathway. clofarabine refractive_error GAP_LOW 0.105 0.08333333333333333 l-carnitine Low-priority: Computational docking clofarabine vs refractive_error targets. Cross-check clofarabine pharmacophore against refractive_error pathway. desmopressin osteoarthritis GAP_LOW 0.105 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs osteoarthritis targets. Cross-check desmopressin pharmacophore against osteoarthritis pathway. desmopressin skin_cancer GAP_LOW 0.105 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs skin_cancer targets. Cross-check desmopressin pharmacophore against skin_cancer pathway. stanozolol azoospermia GAP_LOW 0.105 0.08333333333333333 aprindine Low-priority: Computational docking stanozolol vs azoospermia targets. Cross-check stanozolol pharmacophore against azoospermia pathway. clotiazepam thymus_cancer GAP_LOW 0.105 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs thymus_cancer targets. Cross-check clotiazepam pharmacophore against thymus_cancer pathway. norelgestromin gilles_de_la_tourette_syndrome GAP_LOW 0.105 0.07142857142857142 carbinoxamine Low-priority: Computational docking norelgestromin vs gilles_de_la_tourette_syndrome targets. Cross-check norelgestromin pharmacophore against gilles_de_la_tourette_syndrome pathway. aciclovir prostate_cancer GAP_LOW 0.105 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs prostate_cancer targets. Cross-check aciclovir pharmacophore against prostate_cancer pathway. vismodegib bone_cancer GAP_LOW 0.105 0.05263157894736842 tetrahydrofolic_acid Low-priority: Computational docking vismodegib vs bone_cancer targets. Cross-check vismodegib pharmacophore against bone_cancer pathway. procarbazine leprosy GAP_LOW 0.105 0.038461538461538464 sulfapyridine Low-priority: Computational docking procarbazine vs leprosy targets. Cross-check procarbazine pharmacophore against leprosy pathway. alfacalcidol alcohol_dependence GAP_LOW 0.105 0.0 midazolam Low-priority: Computational docking alfacalcidol vs alcohol_dependence targets. Cross-check alfacalcidol pharmacophore against alcohol_dependence pathway. calcidiol alcohol_dependence GAP_LOW 0.105 0.0 midazolam Low-priority: Computational docking calcidiol vs alcohol_dependence targets. Cross-check calcidiol pharmacophore against alcohol_dependence pathway. calcipotriol alcohol_dependence GAP_LOW 0.105 0.0 midazolam Low-priority: Computational docking calcipotriol vs alcohol_dependence targets. Cross-check calcipotriol pharmacophore against alcohol_dependence pathway. ceruletide alcohol_dependence GAP_LOW 0.105 0.0 midazolam Low-priority: Computational docking ceruletide vs alcohol_dependence targets. Cross-check ceruletide pharmacophore against alcohol_dependence pathway. desogestrel bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking desogestrel vs bone_cancer targets. Cross-check desogestrel pharmacophore against bone_cancer pathway. desogestrel gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking desogestrel vs gestational_diabetes targets. Cross-check desogestrel pharmacophore against gestational_diabetes pathway. dienestrol gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking dienestrol vs gestational_diabetes targets. Cross-check dienestrol pharmacophore against gestational_diabetes pathway. dihydrotachysterol alcohol_dependence GAP_LOW 0.105 0.0 midazolam Low-priority: Computational docking dihydrotachysterol vs alcohol_dependence targets. Cross-check dihydrotachysterol pharmacophore against alcohol_dependence pathway. enalapril bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking enalapril vs bone_cancer targets. Cross-check enalapril pharmacophore against bone_cancer pathway. estazolam bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking estazolam vs bone_cancer targets. Cross-check estazolam pharmacophore against bone_cancer pathway. estazolam gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking estazolam vs gestational_diabetes targets. Cross-check estazolam pharmacophore against gestational_diabetes pathway. levomilnacipran bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking levomilnacipran vs bone_cancer targets. Cross-check levomilnacipran pharmacophore against bone_cancer pathway. levomilnacipran gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking levomilnacipran vs gestational_diabetes targets. Cross-check levomilnacipran pharmacophore against gestational_diabetes pathway. levonorgestrel bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking levonorgestrel vs bone_cancer targets. Cross-check levonorgestrel pharmacophore against bone_cancer pathway. levonorgestrel gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking levonorgestrel vs gestational_diabetes targets. Cross-check levonorgestrel pharmacophore against gestational_diabetes pathway. mannitol rheumatoid_arthritis GAP_LOW 0.105 0.0 flurazepam Low-priority: Computational docking mannitol vs rheumatoid_arthritis targets. Cross-check mannitol pharmacophore against rheumatoid_arthritis pathway. medroxyprogesterone_acetate bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking medroxyprogesterone_acetate vs bone_cancer targets. Cross-check medroxyprogesterone_acetate pharmacophore against bone_cancer pathway. medroxyprogesterone_acetate gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking medroxyprogesterone_acetate vs gestational_diabetes targets. Cross-check medroxyprogesterone_acetate pharmacophore against gestational_diabetes pathway. metaraminol bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking metaraminol vs bone_cancer targets. Cross-check metaraminol pharmacophore against bone_cancer pathway. metaraminol gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking metaraminol vs gestational_diabetes targets. Cross-check metaraminol pharmacophore against gestational_diabetes pathway. milnacipran bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking milnacipran vs bone_cancer targets. Cross-check milnacipran pharmacophore against bone_cancer pathway. milnacipran gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking milnacipran vs gestational_diabetes targets. Cross-check milnacipran pharmacophore against gestational_diabetes pathway. pimozide bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking pimozide vs bone_cancer targets. Cross-check pimozide pharmacophore against bone_cancer pathway. pimozide gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking pimozide vs gestational_diabetes targets. Cross-check pimozide pharmacophore against gestational_diabetes pathway. pirbuterol bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking pirbuterol vs bone_cancer targets. Cross-check pirbuterol pharmacophore against bone_cancer pathway. pirbuterol gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking pirbuterol vs gestational_diabetes targets. Cross-check pirbuterol pharmacophore against gestational_diabetes pathway. salbutamol bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking salbutamol vs bone_cancer targets. Cross-check salbutamol pharmacophore against bone_cancer pathway. salbutamol gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking salbutamol vs gestational_diabetes targets. Cross-check salbutamol pharmacophore against gestational_diabetes pathway. trilostane bone_cancer GAP_LOW 0.105 0.0 ibandronate Low-priority: Computational docking trilostane vs bone_cancer targets. Cross-check trilostane pharmacophore against bone_cancer pathway. trilostane gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking trilostane vs gestational_diabetes targets. Cross-check trilostane pharmacophore against gestational_diabetes pathway. zidovudine gestational_diabetes GAP_LOW 0.105 0.0 tolazamide Low-priority: Computational docking zidovudine vs gestational_diabetes targets. Cross-check zidovudine pharmacophore against gestational_diabetes pathway. pseudoephedrine allergic_rhinitis GAP_HIGH 0.1049 0.3 tropicamide High-priority: Binding assay pseudoephedrine→?; validate in allergic_rhinitis cell model. Expected: similar to tropicamide (Jaccard=0.30) modafinil type_1_diabetes_mellitus GAP_HIGH 0.1049 0.28 benzatropine High-priority: Binding assay modafinil→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.28) chlorprothixene thymus_cancer GAP_HIGH 0.1049 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.26) phenelzine ovarian_cancer GAP_HIGH 0.1049 0.23333333333333334 phenacemide High-priority: Binding assay phenelzine→?; validate in ovarian_cancer cell model. Expected: similar to phenacemide (Jaccard=0.23) prochlorperazine malignant_mesothelioma GAP_HIGH 0.1049 0.2 isopropamide High-priority: Binding assay prochlorperazine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.20) methamphetamine mediastinal_cancer GAP_HIGH 0.1049 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in mediastinal_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) oxybuprocaine amyotrophic_lateral_sclerosis GAP_HIGH 0.1049 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to modafinil (Jaccard=0.17) sulfapyridine thymus_cancer GAP_HIGH 0.1049 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) drostanolone azoospermia GAP_LOW 0.1049 0.13333333333333333 loperamide Low-priority: Computational docking drostanolone vs azoospermia targets. Cross-check drostanolone pharmacophore against azoospermia pathway. adenosine_triphosphate nephrolithiasis GAP_LOW 0.1049 0.1282051282051282 lamivudine Low-priority: Computational docking adenosine_triphosphate vs nephrolithiasis targets. Cross-check adenosine_triphosphate pharmacophore against nephrolithiasis pathway. tolmetin meningioma GAP_LOW 0.1049 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs meningioma targets. Cross-check tolmetin pharmacophore against meningioma pathway. dimetindene penile_cancer GAP_LOW 0.1049 0.12 methadone Low-priority: Computational docking dimetindene vs penile_cancer targets. Cross-check dimetindene pharmacophore against penile_cancer pathway. alitretinoin lung_cancer GAP_LOW 0.1049 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs lung_cancer targets. Cross-check alitretinoin pharmacophore against lung_cancer pathway. alitretinoin rectum_cancer GAP_LOW 0.1049 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs rectum_cancer targets. Cross-check alitretinoin pharmacophore against rectum_cancer pathway. practolol melanoma GAP_LOW 0.1049 0.1111111111111111 ifenprodil Low-priority: Computational docking practolol vs melanoma targets. Cross-check practolol pharmacophore against melanoma pathway. alitretinoin gout GAP_LOW 0.1049 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs gout targets. Cross-check alitretinoin pharmacophore against gout pathway. anisotropine_methylbromide gilles_de_la_tourette_syndrome GAP_LOW 0.1049 0.09090909090909091 midazolam Low-priority: Computational docking anisotropine_methylbromide vs gilles_de_la_tourette_syndrome targets. Cross-check anisotropine_methylbromide pharmacophore against gilles_de_la_tourette_syndrome pathway. paricalcitol liver_cancer GAP_LOW 0.1049 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs liver_cancer targets. Cross-check paricalcitol pharmacophore against liver_cancer pathway. desmopressin vaginal_cancer GAP_LOW 0.1049 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs vaginal_cancer targets. Cross-check desmopressin pharmacophore against vaginal_cancer pathway. desmopressin vulva_cancer GAP_LOW 0.1049 0.08333333333333333 ceruletide Low-priority: Computational docking desmopressin vs vulva_cancer targets. Cross-check desmopressin pharmacophore against vulva_cancer pathway. mepyramine larynx_cancer GAP_LOW 0.1049 0.08333333333333333 procarbazine Low-priority: Computational docking mepyramine vs larynx_cancer targets. Cross-check mepyramine pharmacophore against larynx_cancer pathway. alitretinoin alopecia_areata GAP_LOW 0.1049 0.06666666666666667 dexamethasone Low-priority: Computational docking alitretinoin vs alopecia_areata targets. Cross-check alitretinoin pharmacophore against alopecia_areata pathway. isoetarine head_and_neck_cancer GAP_LOW 0.1049 0.0625 exemestane Low-priority: Computational docking isoetarine vs head_and_neck_cancer targets. Cross-check isoetarine pharmacophore against head_and_neck_cancer pathway. aciclovir mediastinal_cancer GAP_LOW 0.1049 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs mediastinal_cancer targets. Cross-check aciclovir pharmacophore against mediastinal_cancer pathway. etonogestrel atherosclerosis GAP_LOW 0.1049 0.05 acetylsalicylic_acid Low-priority: Computational docking etonogestrel vs atherosclerosis targets. Cross-check etonogestrel pharmacophore against atherosclerosis pathway. regadenoson malaria GAP_LOW 0.1049 0.041666666666666664 caffeine Low-priority: Computational docking regadenoson vs malaria targets. Cross-check regadenoson pharmacophore against malaria pathway. antipyrine nephrolithiasis GAP_LOW 0.1049 0.037037037037037035 proparacaine Low-priority: Computational docking antipyrine vs nephrolithiasis targets. Cross-check antipyrine pharmacophore against nephrolithiasis pathway. abacavir leprosy GAP_LOW 0.1049 0.0 sulfapyridine Low-priority: Computational docking abacavir vs leprosy targets. Cross-check abacavir pharmacophore against leprosy pathway. fludrocortisone pagets_disease_of_bone GAP_LOW 0.1049 0.0 ibandronate Low-priority: Computational docking fludrocortisone vs pagets_disease_of_bone targets. Cross-check fludrocortisone pharmacophore against pagets_disease_of_bone pathway. linaclotide membranous_glomerulonephritis GAP_LOW 0.1049 0.0 methdilazine Low-priority: Computational docking linaclotide vs membranous_glomerulonephritis targets. Cross-check linaclotide pharmacophore against membranous_glomerulonephritis pathway. propranolol hematologic_cancer GAP_HIGH 0.1048 0.25 butenafine High-priority: Binding assay propranolol→?; validate in hematologic_cancer cell model. Expected: similar to butenafine (Jaccard=0.25) clozapine sarcoma GAP_HIGH 0.1048 0.2413793103448276 phenytoin High-priority: Binding assay clozapine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.24) acetylsalicylic_acid duodenum_cancer GAP_HIGH 0.1048 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in duodenum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid gallbladder_cancer GAP_HIGH 0.1048 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in gallbladder_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid melanoma GAP_HIGH 0.1048 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in melanoma cell model. Expected: similar to lapatinib (Jaccard=0.24) salicylic_acid lung_cancer GAP_HIGH 0.1048 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in lung_cancer cell model. Expected: similar to bromfenac (Jaccard=0.22) salicylic_acid rectum_cancer GAP_HIGH 0.1048 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.22) doxorubicin atopic_dermatitis GAP_HIGH 0.1048 0.21428571428571427 epinephrine High-priority: Binding assay doxorubicin→?; validate in atopic_dermatitis cell model. Expected: similar to epinephrine (Jaccard=0.21) ketoprofen uterine_cancer GAP_HIGH 0.1048 0.2 metipranolol High-priority: Binding assay ketoprofen→?; validate in uterine_cancer cell model. Expected: similar to metipranolol (Jaccard=0.20) vinblastine restless_legs_syndrome GAP_HIGH 0.1048 0.2 epinastine High-priority: Binding assay vinblastine→?; validate in restless_legs_syndrome cell model. Expected: similar to epinastine (Jaccard=0.20) fluorometholone alzheimers_disease GAP_HIGH 0.1048 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone alzheimers_disease GAP_HIGH 0.1048 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) lisinopril systemic_lupus_erythematosus GAP_HIGH 0.1048 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to desipramine (Jaccard=0.18) methamphetamine thymus_cancer GAP_HIGH 0.1048 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in thymus_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) oxybuprocaine peripheral_nervous_system_neoplasm GAP_HIGH 0.1048 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to modafinil (Jaccard=0.17) chloroprocaine primary_biliary_cirrhosis GAP_HIGH 0.1048 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to methylphenidate (Jaccard=0.17) teniposide breast_cancer GAP_HIGH 0.1048 0.16666666666666666 vindesine High-priority: Binding assay teniposide→?; validate in breast_cancer cell model. Expected: similar to vindesine (Jaccard=0.17) liothyronine atherosclerosis GAP_HIGH 0.1048 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in atherosclerosis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) oxazepam penile_cancer GAP_LOW 0.1048 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs penile_cancer targets. Cross-check oxazepam pharmacophore against penile_cancer pathway. phenindamine brain_cancer GAP_LOW 0.1048 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs brain_cancer targets. Cross-check phenindamine pharmacophore against brain_cancer pathway. phenindamine intracranial_aneurysm GAP_LOW 0.1048 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs intracranial_aneurysm targets. Cross-check phenindamine pharmacophore against intracranial_aneurysm pathway. azatadine malaria GAP_LOW 0.1048 0.13333333333333333 caffeine Low-priority: Computational docking azatadine vs malaria targets. Cross-check azatadine pharmacophore against malaria pathway. testosterone azoospermia GAP_LOW 0.1048 0.125 loperamide Low-priority: Computational docking testosterone vs azoospermia targets. Cross-check testosterone pharmacophore against azoospermia pathway. methyltestosterone focal_segmental_glomerulosclerosis GAP_LOW 0.1048 0.1 bumetanide Low-priority: Computational docking methyltestosterone vs focal_segmental_glomerulosclerosis targets. Cross-check methyltestosterone pharmacophore against focal_segmental_glomerulosclerosis pathway. sulfanilamide salivary_gland_cancer GAP_LOW 0.1048 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs salivary_gland_cancer targets. Cross-check sulfanilamide pharmacophore against salivary_gland_cancer pathway. telmisartan melanoma GAP_LOW 0.1048 0.1 procaine Low-priority: Computational docking telmisartan vs melanoma targets. Cross-check telmisartan pharmacophore against melanoma pathway. mefenamic_acid dilated_cardiomyopathy GAP_LOW 0.1048 0.09523809523809523 rimexolone Low-priority: Computational docking mefenamic_acid vs dilated_cardiomyopathy targets. Cross-check mefenamic_acid pharmacophore against dilated_cardiomyopathy pathway. diclofenamide meningioma GAP_LOW 0.1048 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs meningioma targets. Cross-check diclofenamide pharmacophore against meningioma pathway. dipivefrin hepatitis_b GAP_LOW 0.1048 0.05555555555555555 ribavirin Low-priority: Computational docking dipivefrin vs hepatitis_b targets. Cross-check dipivefrin pharmacophore against hepatitis_b pathway. bimatoprost prostate_cancer GAP_LOW 0.1048 0.041666666666666664 bevantolol Low-priority: Computational docking bimatoprost vs prostate_cancer targets. Cross-check bimatoprost pharmacophore against prostate_cancer pathway. calcium_acetate mediastinal_cancer GAP_LOW 0.1048 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs mediastinal_cancer targets. Cross-check calcium_acetate pharmacophore against mediastinal_cancer pathway. calcium_acetate primary_biliary_cirrhosis GAP_LOW 0.1048 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs primary_biliary_cirrhosis targets. Cross-check calcium_acetate pharmacophore against primary_biliary_cirrhosis pathway. lercanidipine primary_biliary_cirrhosis GAP_LOW 0.1048 0.0 hydrocortisone Low-priority: Computational docking lercanidipine vs primary_biliary_cirrhosis targets. Cross-check lercanidipine pharmacophore against primary_biliary_cirrhosis pathway. nimodipine primary_biliary_cirrhosis GAP_LOW 0.1048 0.0 hydrocortisone Low-priority: Computational docking nimodipine vs primary_biliary_cirrhosis targets. Cross-check nimodipine pharmacophore against primary_biliary_cirrhosis pathway. chlorcyclizine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1047 0.28205128205128205 diphenhydramine High-priority: Binding assay chlorcyclizine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.28) atomoxetine vaginal_cancer GAP_HIGH 0.1047 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in vaginal_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) atomoxetine vulva_cancer GAP_HIGH 0.1047 0.2692307692307692 modafinil High-priority: Binding assay atomoxetine→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) clotrimazole ulcerative_colitis GAP_HIGH 0.1047 0.25925925925925924 diphenylpyraline High-priority: Binding assay clotrimazole→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.26) fentanyl malaria GAP_HIGH 0.1047 0.2222222222222222 modafinil High-priority: Binding assay fentanyl→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.22) phenelzine germ_cell_cancer GAP_HIGH 0.1047 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) fluorometholone nicotine_dependence GAP_HIGH 0.1047 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone nicotine_dependence GAP_HIGH 0.1047 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) dextroamphetamine thyroid_cancer GAP_HIGH 0.1047 0.17647058823529413 l-dopa High-priority: Binding assay dextroamphetamine→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.18) glucosamine panic_disorder GAP_HIGH 0.1047 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in panic_disorder cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) tolmetin vulva_cancer GAP_HIGH 0.1047 0.15384615384615385 ketoprofen High-priority: Binding assay tolmetin→?; validate in vulva_cancer cell model. Expected: similar to ketoprofen (Jaccard=0.15) enalapril uterine_fibroid GAP_LOW 0.1047 0.14285714285714285 desipramine Low-priority: Computational docking enalapril vs uterine_fibroid targets. Cross-check enalapril pharmacophore against uterine_fibroid pathway. tolmetin salivary_gland_cancer GAP_LOW 0.1047 0.14285714285714285 epinephrine Low-priority: Computational docking tolmetin vs salivary_gland_cancer targets. Cross-check tolmetin pharmacophore against salivary_gland_cancer pathway. acenocoumarol sclerosing_cholangitis GAP_LOW 0.1047 0.13636363636363635 fludiazepam Low-priority: Computational docking acenocoumarol vs sclerosing_cholangitis targets. Cross-check acenocoumarol pharmacophore against sclerosing_cholangitis pathway. floctafenine type_1_diabetes_mellitus GAP_LOW 0.1047 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs type_1_diabetes_mellitus targets. Cross-check floctafenine pharmacophore against type_1_diabetes_mellitus pathway. olanzapine melanoma GAP_LOW 0.1047 0.125 alendronate Low-priority: Computational docking olanzapine vs melanoma targets. Cross-check olanzapine pharmacophore against melanoma pathway. ospemifene asthma GAP_LOW 0.1047 0.11538461538461539 fluoxymesterone Low-priority: Computational docking ospemifene vs asthma targets. Cross-check ospemifene pharmacophore against asthma pathway. alitretinoin liver_cancer GAP_LOW 0.1047 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs liver_cancer targets. Cross-check alitretinoin pharmacophore against liver_cancer pathway. cinchocaine ocular_cancer GAP_LOW 0.1047 0.1 modafinil Low-priority: Computational docking cinchocaine vs ocular_cancer targets. Cross-check cinchocaine pharmacophore against ocular_cancer pathway. cyproterone_acetate larynx_cancer GAP_LOW 0.1047 0.1 docetaxel Low-priority: Computational docking cyproterone_acetate vs larynx_cancer targets. Cross-check cyproterone_acetate pharmacophore against larynx_cancer pathway. sulfamethizole head_and_neck_cancer GAP_LOW 0.1047 0.1 clodronate Low-priority: Computational docking sulfamethizole vs head_and_neck_cancer targets. Cross-check sulfamethizole pharmacophore against head_and_neck_cancer pathway. sulfamethizole malignant_glioma GAP_LOW 0.1047 0.1 etidronic_acid Low-priority: Computational docking sulfamethizole vs malignant_glioma targets. Cross-check sulfamethizole pharmacophore against malignant_glioma pathway. proparacaine skin_cancer GAP_LOW 0.1047 0.09523809523809523 ifenprodil Low-priority: Computational docking proparacaine vs skin_cancer targets. Cross-check proparacaine pharmacophore against skin_cancer pathway. zafirlukast vaginal_cancer GAP_LOW 0.1047 0.09523809523809523 vismodegib Low-priority: Computational docking zafirlukast vs vaginal_cancer targets. Cross-check zafirlukast pharmacophore against vaginal_cancer pathway. dihydrotachysterol thyroid_cancer GAP_LOW 0.1047 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs thyroid_cancer targets. Cross-check dihydrotachysterol pharmacophore against thyroid_cancer pathway. estazolam type_1_diabetes_mellitus GAP_LOW 0.1047 0.09090909090909091 atropine Low-priority: Computational docking estazolam vs type_1_diabetes_mellitus targets. Cross-check estazolam pharmacophore against type_1_diabetes_mellitus pathway. paricalcitol peripheral_nervous_system_neoplasm GAP_LOW 0.1047 0.09090909090909091 salicylate-sodium Low-priority: Computational docking paricalcitol vs peripheral_nervous_system_neoplasm targets. Cross-check paricalcitol pharmacophore against peripheral_nervous_system_neoplasm pathway. zidovudine brain_cancer GAP_LOW 0.1047 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs brain_cancer targets. Cross-check zidovudine pharmacophore against brain_cancer pathway. zidovudine intracranial_aneurysm GAP_LOW 0.1047 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs intracranial_aneurysm targets. Cross-check zidovudine pharmacophore against intracranial_aneurysm pathway. procaine acquired_immunodeficiency_syndrome GAP_LOW 0.1047 0.08695652173913043 mitiglinide Low-priority: Computational docking procaine vs acquired_immunodeficiency_syndrome targets. Cross-check procaine pharmacophore against acquired_immunodeficiency_syndrome pathway. melphalan bone_cancer GAP_LOW 0.1047 0.08333333333333333 histamine_phosphate Low-priority: Computational docking melphalan vs bone_cancer targets. Cross-check melphalan pharmacophore against bone_cancer pathway. naftifine leprosy GAP_LOW 0.1047 0.08333333333333333 phenmetrazine Low-priority: Computational docking naftifine vs leprosy targets. Cross-check naftifine pharmacophore against leprosy pathway. allylestrenol gilles_de_la_tourette_syndrome GAP_LOW 0.1047 0.07692307692307693 carbinoxamine Low-priority: Computational docking allylestrenol vs gilles_de_la_tourette_syndrome targets. Cross-check allylestrenol pharmacophore against gilles_de_la_tourette_syndrome pathway. phentermine gestational_diabetes GAP_LOW 0.1047 0.07692307692307693 tolbutamide Low-priority: Computational docking phentermine vs gestational_diabetes targets. Cross-check phentermine pharmacophore against gestational_diabetes pathway. desmopressin melanoma GAP_LOW 0.1047 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs melanoma targets. Cross-check desmopressin pharmacophore against melanoma pathway. aciclovir thymus_cancer GAP_LOW 0.1047 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs thymus_cancer targets. Cross-check aciclovir pharmacophore against thymus_cancer pathway. acetylsalicylic_acid leprosy GAP_LOW 0.1047 0.038461538461538464 pomalidomide Low-priority: Computational docking acetylsalicylic_acid vs leprosy targets. Cross-check acetylsalicylic_acid pharmacophore against leprosy pathway. cyproterone_acetate gestational_diabetes GAP_LOW 0.1047 0.038461538461538464 bezafibrate Low-priority: Computational docking cyproterone_acetate vs gestational_diabetes targets. Cross-check cyproterone_acetate pharmacophore against gestational_diabetes pathway. antipyrine type_1_diabetes_mellitus GAP_LOW 0.1047 0.02702702702702703 bezafibrate Low-priority: Computational docking antipyrine vs type_1_diabetes_mellitus targets. Cross-check antipyrine pharmacophore against type_1_diabetes_mellitus pathway. l-methionine thyroid_cancer GAP_LOW 0.1047 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs thyroid_cancer targets. Cross-check l-methionine pharmacophore against thyroid_cancer pathway. l-cysteine thyroid_cancer GAP_LOW 0.1047 0.023255813953488372 dextrothyroxine Low-priority: Computational docking l-cysteine vs thyroid_cancer targets. Cross-check l-cysteine pharmacophore against thyroid_cancer pathway. calcium_acetate thymus_cancer GAP_LOW 0.1047 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs thymus_cancer targets. Cross-check calcium_acetate pharmacophore against thymus_cancer pathway. conivaptan alzheimers_disease GAP_LOW 0.1047 0.0 flurazepam Low-priority: Computational docking conivaptan vs alzheimers_disease targets. Cross-check conivaptan pharmacophore against alzheimers_disease pathway. conivaptan parkinsons_disease GAP_LOW 0.1047 0.0 cinolazepam Low-priority: Computational docking conivaptan vs parkinsons_disease targets. Cross-check conivaptan pharmacophore against parkinsons_disease pathway. mannitol psoriatic_arthritis GAP_LOW 0.1047 0.0 hydrocortisone Low-priority: Computational docking mannitol vs psoriatic_arthritis targets. Cross-check mannitol pharmacophore against psoriatic_arthritis pathway. pseudoephedrine sarcoma GAP_HIGH 0.1046 0.3 epinephrine High-priority: Binding assay pseudoephedrine→?; validate in sarcoma cell model. Expected: similar to epinephrine (Jaccard=0.30) mequitazine sclerosing_cholangitis GAP_HIGH 0.1046 0.25 temazepam High-priority: Binding assay mequitazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.25) salicylic_acid vaginal_cancer GAP_HIGH 0.1046 0.23076923076923078 clonidine High-priority: Binding assay salicylic_acid→?; validate in vaginal_cancer cell model. Expected: similar to clonidine (Jaccard=0.23) salicylic_acid liver_cancer GAP_HIGH 0.1046 0.2222222222222222 bromfenac High-priority: Binding assay salicylic_acid→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.22) isopropamide refractive_error GAP_HIGH 0.1046 0.2 metaraminol High-priority: Binding assay isopropamide→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) propafenone gout GAP_HIGH 0.1046 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in gout cell model. Expected: similar to trimipramine (Jaccard=0.19) propafenone mediastinal_cancer GAP_HIGH 0.1046 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) lisinopril osteoarthritis GAP_HIGH 0.1046 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in osteoarthritis cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril skin_cancer GAP_HIGH 0.1046 0.18181818181818182 alvimopan High-priority: Binding assay lisinopril→?; validate in skin_cancer cell model. Expected: similar to alvimopan (Jaccard=0.18) floctafenine asthma GAP_HIGH 0.1046 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in asthma cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) floctafenine atopic_dermatitis GAP_HIGH 0.1046 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in atopic_dermatitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) floctafenine breast_cancer GAP_HIGH 0.1046 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in breast_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) floctafenine colon_cancer GAP_HIGH 0.1046 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in colon_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) tolterodine meningioma GAP_HIGH 0.1046 0.16666666666666666 methadone High-priority: Binding assay tolterodine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.17) glucosamine schizophrenia GAP_HIGH 0.1046 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in schizophrenia cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) tolmetin vascular_cancer GAP_HIGH 0.1046 0.15384615384615385 ketoprofen High-priority: Binding assay tolmetin→?; validate in vascular_cancer cell model. Expected: similar to ketoprofen (Jaccard=0.15) chloroprocaine malignant_glioma GAP_LOW 0.1046 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs malignant_glioma targets. Cross-check chloroprocaine pharmacophore against malignant_glioma pathway. clonazepam sarcoma GAP_LOW 0.1046 0.13513513513513514 phenytoin Low-priority: Computational docking clonazepam vs sarcoma targets. Cross-check clonazepam pharmacophore against sarcoma pathway. sulfamethizole muscle_cancer GAP_LOW 0.1046 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs muscle_cancer targets. Cross-check sulfamethizole pharmacophore against muscle_cancer pathway. hydromorphone vitiligo GAP_LOW 0.1046 0.125 nitrazepam Low-priority: Computational docking hydromorphone vs vitiligo targets. Cross-check hydromorphone pharmacophore against vitiligo pathway. tranylcypromine glaucoma GAP_LOW 0.1046 0.125 phenylpropanolamine Low-priority: Computational docking tranylcypromine vs glaucoma targets. Cross-check tranylcypromine pharmacophore against glaucoma pathway. chloroprocaine hepatitis_b GAP_LOW 0.1046 0.11764705882352941 mitiglinide Low-priority: Computational docking chloroprocaine vs hepatitis_b targets. Cross-check chloroprocaine pharmacophore against hepatitis_b pathway. zuclopenthixol bone_cancer GAP_LOW 0.1046 0.11764705882352941 alendronate Low-priority: Computational docking zuclopenthixol vs bone_cancer targets. Cross-check zuclopenthixol pharmacophore against bone_cancer pathway. allylestrenol membranous_glomerulonephritis GAP_LOW 0.1046 0.09090909090909091 calcitriol Low-priority: Computational docking allylestrenol vs membranous_glomerulonephritis targets. Cross-check allylestrenol pharmacophore against membranous_glomerulonephritis pathway. selegiline focal_segmental_glomerulosclerosis GAP_LOW 0.1046 0.09090909090909091 moricizine Low-priority: Computational docking selegiline vs focal_segmental_glomerulosclerosis targets. Cross-check selegiline pharmacophore against focal_segmental_glomerulosclerosis pathway. zafirlukast ocular_cancer GAP_LOW 0.1046 0.08695652173913043 sotalol Low-priority: Computational docking zafirlukast vs ocular_cancer targets. Cross-check zafirlukast pharmacophore against ocular_cancer pathway. desmopressin systemic_scleroderma GAP_LOW 0.1046 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs systemic_scleroderma targets. Cross-check desmopressin pharmacophore against systemic_scleroderma pathway. vitamin_a asthma GAP_LOW 0.1046 0.08333333333333333 danazol Low-priority: Computational docking vitamin_a vs asthma targets. Cross-check vitamin_a pharmacophore against asthma pathway. dyphylline urinary_bladder_cancer GAP_LOW 0.1046 0.05555555555555555 adenosine Low-priority: Computational docking dyphylline vs urinary_bladder_cancer targets. Cross-check dyphylline pharmacophore against urinary_bladder_cancer pathway. aciclovir coronary_artery_disease GAP_LOW 0.1046 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs coronary_artery_disease targets. Cross-check aciclovir pharmacophore against coronary_artery_disease pathway. aciclovir penile_cancer GAP_LOW 0.1046 0.047619047619047616 fentanyl Low-priority: Computational docking aciclovir vs penile_cancer targets. Cross-check aciclovir pharmacophore against penile_cancer pathway. tretinoin atherosclerosis GAP_LOW 0.1046 0.043478260869565216 acetylsalicylic_acid Low-priority: Computational docking tretinoin vs atherosclerosis targets. Cross-check tretinoin pharmacophore against atherosclerosis pathway. conivaptan amyotrophic_lateral_sclerosis GAP_LOW 0.1046 0.0 cinolazepam Low-priority: Computational docking conivaptan vs amyotrophic_lateral_sclerosis targets. Cross-check conivaptan pharmacophore against amyotrophic_lateral_sclerosis pathway. conivaptan autistic_disorder GAP_LOW 0.1046 0.0 flurazepam Low-priority: Computational docking conivaptan vs autistic_disorder targets. Cross-check conivaptan pharmacophore against autistic_disorder pathway. conivaptan nicotine_dependence GAP_LOW 0.1046 0.0 cinolazepam Low-priority: Computational docking conivaptan vs nicotine_dependence targets. Cross-check conivaptan pharmacophore against nicotine_dependence pathway. linaclotide germ_cell_cancer GAP_LOW 0.1046 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs germ_cell_cancer targets. Cross-check linaclotide pharmacophore against germ_cell_cancer pathway. methadone pagets_disease_of_bone GAP_LOW 0.1046 0.0 ibandronate Low-priority: Computational docking methadone vs pagets_disease_of_bone targets. Cross-check methadone pharmacophore against pagets_disease_of_bone pathway. quinacrine germ_cell_cancer GAP_LOW 0.1046 0.0 hydrocortisone Low-priority: Computational docking quinacrine vs germ_cell_cancer targets. Cross-check quinacrine pharmacophore against germ_cell_cancer pathway. phenylbutazone gout GAP_HIGH 0.1045 0.3125 oxcarbazepine High-priority: Binding assay phenylbutazone→?; validate in gout cell model. Expected: similar to oxcarbazepine (Jaccard=0.31) doxorubicin psoriasis GAP_HIGH 0.1045 0.21428571428571427 epinephrine High-priority: Binding assay doxorubicin→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.21) cinnarizine uterine_fibroid GAP_HIGH 0.1045 0.2 letrozole High-priority: Binding assay cinnarizine→?; validate in uterine_fibroid cell model. Expected: similar to letrozole (Jaccard=0.20) pazopanib nicotine_dependence GAP_HIGH 0.1045 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.20) propafenone thymus_cancer GAP_HIGH 0.1045 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) vismodegib salivary_gland_cancer GAP_HIGH 0.1045 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in salivary_gland_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) lisinopril testicular_cancer GAP_HIGH 0.1045 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in testicular_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril vaginal_cancer GAP_HIGH 0.1045 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in vaginal_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) lisinopril vulva_cancer GAP_HIGH 0.1045 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.18) floctafenine allergic_rhinitis GAP_HIGH 0.1045 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in allergic_rhinitis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) floctafenine stomach_cancer GAP_HIGH 0.1045 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in stomach_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) s-adenosylmethionine breast_cancer GAP_HIGH 0.1045 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in breast_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) s-adenosylmethionine colon_cancer GAP_HIGH 0.1045 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in colon_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) aprindine germ_cell_cancer GAP_HIGH 0.1045 0.16666666666666666 tamoxifen High-priority: Binding assay aprindine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) menadione larynx_cancer GAP_LOW 0.1045 0.14285714285714285 methimazole Low-priority: Computational docking menadione vs larynx_cancer targets. Cross-check menadione pharmacophore against larynx_cancer pathway. pseudoephedrine alcohol_dependence GAP_LOW 0.1045 0.13043478260869565 naloxone Low-priority: Computational docking pseudoephedrine vs alcohol_dependence targets. Cross-check pseudoephedrine pharmacophore against alcohol_dependence pathway. hydromorphone pharynx_cancer GAP_LOW 0.1045 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs pharynx_cancer targets. Cross-check hydromorphone pharmacophore against pharynx_cancer pathway. ospemifene alzheimers_disease GAP_LOW 0.1045 0.1111111111111111 diethylstilbestrol Low-priority: Computational docking ospemifene vs alzheimers_disease targets. Cross-check ospemifene pharmacophore against alzheimers_disease pathway. ospemifene parkinsons_disease GAP_LOW 0.1045 0.1111111111111111 diethylstilbestrol Low-priority: Computational docking ospemifene vs parkinsons_disease targets. Cross-check ospemifene pharmacophore against parkinsons_disease pathway. aspartame type_1_diabetes_mellitus GAP_LOW 0.1045 0.1 glimepiride Low-priority: Computational docking aspartame vs type_1_diabetes_mellitus targets. Cross-check aspartame pharmacophore against type_1_diabetes_mellitus pathway. sulfanilamide ocular_cancer GAP_LOW 0.1045 0.1 alclometasone Low-priority: Computational docking sulfanilamide vs ocular_cancer targets. Cross-check sulfanilamide pharmacophore against ocular_cancer pathway. selegiline gilles_de_la_tourette_syndrome GAP_LOW 0.1045 0.09090909090909091 moricizine Low-priority: Computational docking selegiline vs gilles_de_la_tourette_syndrome targets. Cross-check selegiline pharmacophore against gilles_de_la_tourette_syndrome pathway. dihydrotachysterol hematologic_cancer GAP_LOW 0.1045 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs hematologic_cancer targets. Cross-check dihydrotachysterol pharmacophore against hematologic_cancer pathway. dihydrotachysterol narcolepsy GAP_LOW 0.1045 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs narcolepsy targets. Cross-check dihydrotachysterol pharmacophore against narcolepsy pathway. vitamin_a breast_cancer GAP_LOW 0.1045 0.08333333333333333 danazol Low-priority: Computational docking vitamin_a vs breast_cancer targets. Cross-check vitamin_a pharmacophore against breast_cancer pathway. diclofenamide crohns_disease GAP_LOW 0.1045 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs crohns_disease targets. Cross-check diclofenamide pharmacophore against crohns_disease pathway. methyltestosterone atherosclerosis GAP_LOW 0.1045 0.06666666666666667 salicylic_acid Low-priority: Computational docking methyltestosterone vs atherosclerosis targets. Cross-check methyltestosterone pharmacophore against atherosclerosis pathway. desmopressin idiopathic_pulmonary_fibrosis GAP_LOW 0.1045 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs idiopathic_pulmonary_fibrosis targets. Cross-check desmopressin pharmacophore against idiopathic_pulmonary_fibrosis pathway. norelgestromin atherosclerosis GAP_LOW 0.1045 0.043478260869565216 acetylsalicylic_acid Low-priority: Computational docking norelgestromin vs atherosclerosis targets. Cross-check norelgestromin pharmacophore against atherosclerosis pathway. nortriptyline leprosy GAP_LOW 0.1045 0.022727272727272728 phensuximide Low-priority: Computational docking nortriptyline vs leprosy targets. Cross-check nortriptyline pharmacophore against leprosy pathway. acetic_acid head_and_neck_cancer GAP_LOW 0.1045 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs head_and_neck_cancer targets. Cross-check acetic_acid pharmacophore against head_and_neck_cancer pathway. benzthiazide head_and_neck_cancer GAP_LOW 0.1045 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs head_and_neck_cancer targets. Cross-check benzthiazide pharmacophore against head_and_neck_cancer pathway. benzthiazide malignant_glioma GAP_LOW 0.1045 0.0 hydrocortisone Low-priority: Computational docking benzthiazide vs malignant_glioma targets. Cross-check benzthiazide pharmacophore against malignant_glioma pathway. loratadine larynx_cancer GAP_LOW 0.1045 0.0 vinblastine Low-priority: Computational docking loratadine vs larynx_cancer targets. Cross-check loratadine pharmacophore against larynx_cancer pathway. streptozocin head_and_neck_cancer GAP_LOW 0.1045 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs head_and_neck_cancer targets. Cross-check streptozocin pharmacophore against head_and_neck_cancer pathway. streptozocin malignant_glioma GAP_LOW 0.1045 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs malignant_glioma targets. Cross-check streptozocin pharmacophore against malignant_glioma pathway. bezafibrate multiple_sclerosis GAP_HIGH 0.1044 0.2692307692307692 gliclazide High-priority: Binding assay bezafibrate→?; validate in multiple_sclerosis cell model. Expected: similar to gliclazide (Jaccard=0.27) olsalazine refractive_error GAP_HIGH 0.1044 0.21428571428571427 epinephrine High-priority: Binding assay olsalazine→?; validate in refractive_error cell model. Expected: similar to epinephrine (Jaccard=0.21) floctafenine pancreatic_cancer GAP_HIGH 0.1044 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in pancreatic_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) oxybuprocaine atopic_dermatitis GAP_HIGH 0.1044 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in atopic_dermatitis cell model. Expected: similar to modafinil (Jaccard=0.17) oxybuprocaine colon_cancer GAP_HIGH 0.1044 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in colon_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) s-adenosylmethionine pancreatic_cancer GAP_HIGH 0.1044 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in pancreatic_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) bevantolol celiac_disease GAP_HIGH 0.1044 0.16216216216216217 diphenylpyraline High-priority: Binding assay bevantolol→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) floctafenine meningioma GAP_HIGH 0.1044 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in meningioma cell model. Expected: similar to fluorometholone (Jaccard=0.15) procaine malignant_glioma GAP_HIGH 0.1044 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in malignant_glioma cell model. Expected: similar to drospirenone (Jaccard=0.15) tolmetin ocular_cancer GAP_LOW 0.1044 0.14285714285714285 epinephrine Low-priority: Computational docking tolmetin vs ocular_cancer targets. Cross-check tolmetin pharmacophore against ocular_cancer pathway. levonorgestrel epilepsy_syndrome GAP_LOW 0.1044 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs epilepsy_syndrome targets. Cross-check levonorgestrel pharmacophore against epilepsy_syndrome pathway. sunitinib lymphatic_system_cancer GAP_LOW 0.1044 0.125 glucosamine Low-priority: Computational docking sunitinib vs lymphatic_system_cancer targets. Cross-check sunitinib pharmacophore against lymphatic_system_cancer pathway. desogestrel alzheimers_disease GAP_LOW 0.1044 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs alzheimers_disease targets. Cross-check desogestrel pharmacophore against alzheimers_disease pathway. abacavir germ_cell_cancer GAP_LOW 0.1044 0.09090909090909091 epirubicin Low-priority: Computational docking abacavir vs germ_cell_cancer targets. Cross-check abacavir pharmacophore against germ_cell_cancer pathway. dihydrotachysterol pancreatitis GAP_LOW 0.1044 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs pancreatitis targets. Cross-check dihydrotachysterol pharmacophore against pancreatitis pathway. norelgestromin membranous_glomerulonephritis GAP_LOW 0.1044 0.08333333333333333 calcitriol Low-priority: Computational docking norelgestromin vs membranous_glomerulonephritis targets. Cross-check norelgestromin pharmacophore against membranous_glomerulonephritis pathway. tioguanine refractive_error GAP_LOW 0.1044 0.08333333333333333 clonidine Low-priority: Computational docking tioguanine vs refractive_error targets. Cross-check tioguanine pharmacophore against refractive_error pathway. conjugated_estrogens focal_segmental_glomerulosclerosis GAP_LOW 0.1044 0.058823529411764705 toremifene Low-priority: Computational docking conjugated_estrogens vs focal_segmental_glomerulosclerosis targets. Cross-check conjugated_estrogens pharmacophore against focal_segmental_glomerulosclerosis pathway. olanzapine atherosclerosis GAP_LOW 0.1044 0.05 acetylsalicylic_acid Low-priority: Computational docking olanzapine vs atherosclerosis targets. Cross-check olanzapine pharmacophore against atherosclerosis pathway. l-glutamine atherosclerosis GAP_LOW 0.1044 0.031914893617021274 bezafibrate Low-priority: Computational docking l-glutamine vs atherosclerosis targets. Cross-check l-glutamine pharmacophore against atherosclerosis pathway. l-methionine ankylosing_spondylitis GAP_LOW 0.1044 0.022222222222222223 anisotropine_methylbromide Low-priority: Computational docking l-methionine vs ankylosing_spondylitis targets. Cross-check l-methionine pharmacophore against ankylosing_spondylitis pathway. acetic_acid kidney_cancer GAP_LOW 0.1044 0.0 oxybuprocaine Low-priority: Computational docking acetic_acid vs kidney_cancer targets. Cross-check acetic_acid pharmacophore against kidney_cancer pathway. conivaptan attention_deficit_hyperactivity_disorder GAP_LOW 0.1044 0.0 flurazepam Low-priority: Computational docking conivaptan vs attention_deficit_hyperactivity_disorder targets. Cross-check conivaptan pharmacophore against attention_deficit_hyperactivity_disorder pathway. mazindol urinary_bladder_cancer GAP_HIGH 0.1043 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) clozapine pharynx_cancer GAP_HIGH 0.1043 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) desipramine crohns_disease GAP_HIGH 0.1043 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in crohns_disease cell model. Expected: similar to trimipramine (Jaccard=0.22) fosphenytoin gout GAP_HIGH 0.1043 0.19047619047619047 phenindione High-priority: Binding assay fosphenytoin→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.19) vismodegib muscle_cancer GAP_HIGH 0.1043 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in muscle_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) lisinopril vascular_cancer GAP_HIGH 0.1043 0.18181818181818182 alvimopan High-priority: Binding assay lisinopril→?; validate in vascular_cancer cell model. Expected: similar to alvimopan (Jaccard=0.18) floctafenine ovarian_cancer GAP_HIGH 0.1043 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in ovarian_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) meclizine malaria GAP_HIGH 0.1043 0.175 modafinil High-priority: Binding assay meclizine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.17) oxybuprocaine hypertension GAP_HIGH 0.1043 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in hypertension cell model. Expected: similar to modafinil (Jaccard=0.17) s-adenosylmethionine ulcerative_colitis GAP_HIGH 0.1043 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in ulcerative_colitis cell model. Expected: similar to lamivudine (Jaccard=0.17) bethanidine celiac_disease GAP_HIGH 0.1043 0.16666666666666666 phenacemide High-priority: Binding assay bethanidine→?; validate in celiac_disease cell model. Expected: similar to phenacemide (Jaccard=0.17) glucosamine migraine GAP_HIGH 0.1043 0.16216216216216217 pseudoephedrine High-priority: Binding assay glucosamine→?; validate in migraine cell model. Expected: similar to pseudoephedrine (Jaccard=0.16) alvimopan melanoma GAP_HIGH 0.1043 0.15789473684210525 trimipramine High-priority: Binding assay alvimopan→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.16) voacamine brain_cancer GAP_HIGH 0.1043 0.15384615384615385 teniposide High-priority: Binding assay voacamine→?; validate in brain_cancer cell model. Expected: similar to teniposide (Jaccard=0.15) voacamine intracranial_aneurysm GAP_HIGH 0.1043 0.15384615384615385 teniposide High-priority: Binding assay voacamine→?; validate in intracranial_aneurysm cell model. Expected: similar to teniposide (Jaccard=0.15) chlorphenesin asthma GAP_LOW 0.1043 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs asthma targets. Cross-check chlorphenesin pharmacophore against asthma pathway. chlorphenesin panic_disorder GAP_LOW 0.1043 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs panic_disorder targets. Cross-check chlorphenesin pharmacophore against panic_disorder pathway. chlorphenesin schizophrenia GAP_LOW 0.1043 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs schizophrenia targets. Cross-check chlorphenesin pharmacophore against schizophrenia pathway. butenafine larynx_cancer GAP_LOW 0.1043 0.125 epirubicin Low-priority: Computational docking butenafine vs larynx_cancer targets. Cross-check butenafine pharmacophore against larynx_cancer pathway. indapamide crohns_disease GAP_LOW 0.1043 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs crohns_disease targets. Cross-check indapamide pharmacophore against crohns_disease pathway. mepyramine meningioma GAP_LOW 0.1043 0.11538461538461539 diphenylpyraline Low-priority: Computational docking mepyramine vs meningioma targets. Cross-check mepyramine pharmacophore against meningioma pathway. desogestrel autistic_disorder GAP_LOW 0.1043 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs autistic_disorder targets. Cross-check desogestrel pharmacophore against autistic_disorder pathway. antazoline atherosclerosis GAP_LOW 0.1043 0.10526315789473684 pargyline Low-priority: Computational docking antazoline vs atherosclerosis targets. Cross-check antazoline pharmacophore against atherosclerosis pathway. estazolam glaucoma GAP_LOW 0.1043 0.09090909090909091 metaraminol Low-priority: Computational docking estazolam vs glaucoma targets. Cross-check estazolam pharmacophore against glaucoma pathway. oxazepam malaria GAP_LOW 0.1043 0.08888888888888889 phensuximide Low-priority: Computational docking oxazepam vs malaria targets. Cross-check oxazepam pharmacophore against malaria pathway. levonordefrin dilated_cardiomyopathy GAP_LOW 0.1043 0.08333333333333333 milrinone Low-priority: Computational docking levonordefrin vs dilated_cardiomyopathy targets. Cross-check levonordefrin pharmacophore against dilated_cardiomyopathy pathway. estradiol bone_cancer GAP_LOW 0.1043 0.07692307692307693 histamine_phosphate Low-priority: Computational docking estradiol vs bone_cancer targets. Cross-check estradiol pharmacophore against bone_cancer pathway. menadione bone_cancer GAP_LOW 0.1043 0.06666666666666667 tetrahydrofolic_acid Low-priority: Computational docking menadione vs bone_cancer targets. Cross-check menadione pharmacophore against bone_cancer pathway. calcipotriol gilles_de_la_tourette_syndrome GAP_LOW 0.1043 0.0625 anileridine Low-priority: Computational docking calcipotriol vs gilles_de_la_tourette_syndrome targets. Cross-check calcipotriol pharmacophore against gilles_de_la_tourette_syndrome pathway. dobutamine chronic_kidney_failure GAP_LOW 0.1043 0.0625 salsalate Low-priority: Computational docking dobutamine vs chronic_kidney_failure targets. Cross-check dobutamine pharmacophore against chronic_kidney_failure pathway. epirubicin leprosy GAP_LOW 0.1043 0.022727272727272728 phensuximide Low-priority: Computational docking epirubicin vs leprosy targets. Cross-check epirubicin pharmacophore against leprosy pathway. acetic_acid nephrolithiasis GAP_LOW 0.1043 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs nephrolithiasis targets. Cross-check acetic_acid pharmacophore against nephrolithiasis pathway. acetic_acid refractive_error GAP_LOW 0.1043 0.0 pirbuterol Low-priority: Computational docking acetic_acid vs refractive_error targets. Cross-check acetic_acid pharmacophore against refractive_error pathway. desmopressin lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking desmopressin vs lymphatic_system_cancer targets. Cross-check desmopressin pharmacophore against lymphatic_system_cancer pathway. felypressin lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking felypressin vs lymphatic_system_cancer targets. Cross-check felypressin pharmacophore against lymphatic_system_cancer pathway. halazepam lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking halazepam vs lymphatic_system_cancer targets. Cross-check halazepam pharmacophore against lymphatic_system_cancer pathway. oxyphenonium lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking oxyphenonium vs lymphatic_system_cancer targets. Cross-check oxyphenonium pharmacophore against lymphatic_system_cancer pathway. pasireotide lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking pasireotide vs lymphatic_system_cancer targets. Cross-check pasireotide pharmacophore against lymphatic_system_cancer pathway. terlipressin lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking terlipressin vs lymphatic_system_cancer targets. Cross-check terlipressin pharmacophore against lymphatic_system_cancer pathway. treprostinil lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking treprostinil vs lymphatic_system_cancer targets. Cross-check treprostinil pharmacophore against lymphatic_system_cancer pathway. vapreotide lymphatic_system_cancer GAP_LOW 0.1043 0.0 vinblastine Low-priority: Computational docking vapreotide vs lymphatic_system_cancer targets. Cross-check vapreotide pharmacophore against lymphatic_system_cancer pathway. loperamide primary_biliary_cirrhosis GAP_HIGH 0.1042 0.2916666666666667 toremifene High-priority: Binding assay loperamide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.29) estrone mediastinal_cancer GAP_HIGH 0.1042 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in mediastinal_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) ketoprofen vaginal_cancer GAP_HIGH 0.1042 0.2 metipranolol High-priority: Binding assay ketoprofen→?; validate in vaginal_cancer cell model. Expected: similar to metipranolol (Jaccard=0.20) vismodegib ocular_cancer GAP_HIGH 0.1042 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in ocular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) fluorometholone panic_disorder GAP_HIGH 0.1042 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone conduct_disorder GAP_HIGH 0.1042 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone panic_disorder GAP_HIGH 0.1042 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) oxybuprocaine ulcerative_colitis GAP_HIGH 0.1042 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in ulcerative_colitis cell model. Expected: similar to modafinil (Jaccard=0.17) s-adenosylmethionine ovarian_cancer GAP_HIGH 0.1042 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in ovarian_cancer cell model. Expected: similar to lamivudine (Jaccard=0.17) azatadine head_and_neck_cancer GAP_HIGH 0.1042 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in head_and_neck_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) azatadine malignant_glioma GAP_HIGH 0.1042 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in malignant_glioma cell model. Expected: similar to alendronate (Jaccard=0.17) levorphanol focal_segmental_glomerulosclerosis GAP_HIGH 0.1042 0.16666666666666666 dimetacrine High-priority: Binding assay levorphanol→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to dimetacrine (Jaccard=0.17) procarbazine kidney_cancer GAP_LOW 0.1042 0.14285714285714285 tolazamide Low-priority: Computational docking procarbazine vs kidney_cancer targets. Cross-check procarbazine pharmacophore against kidney_cancer pathway. chlorphenesin allergic_rhinitis GAP_LOW 0.1042 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs allergic_rhinitis targets. Cross-check chlorphenesin pharmacophore against allergic_rhinitis pathway. chlorphenesin atopic_dermatitis GAP_LOW 0.1042 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs atopic_dermatitis targets. Cross-check chlorphenesin pharmacophore against atopic_dermatitis pathway. chlorphenesin colon_cancer GAP_LOW 0.1042 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs colon_cancer targets. Cross-check chlorphenesin pharmacophore against colon_cancer pathway. danazol epilepsy_syndrome GAP_LOW 0.1042 0.125 bifonazole Low-priority: Computational docking danazol vs epilepsy_syndrome targets. Cross-check danazol pharmacophore against epilepsy_syndrome pathway. tolmetin prostate_cancer GAP_LOW 0.1042 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs prostate_cancer targets. Cross-check tolmetin pharmacophore against prostate_cancer pathway. allylestrenol parkinsons_disease GAP_LOW 0.1042 0.1111111111111111 raloxifene Low-priority: Computational docking allylestrenol vs parkinsons_disease targets. Cross-check allylestrenol pharmacophore against parkinsons_disease pathway. hydromorphone thyroid_cancer GAP_LOW 0.1042 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs thyroid_cancer targets. Cross-check hydromorphone pharmacophore against thyroid_cancer pathway. arbutamine hepatitis_b GAP_LOW 0.1042 0.1 nateglinide Low-priority: Computational docking arbutamine vs hepatitis_b targets. Cross-check arbutamine pharmacophore against hepatitis_b pathway. chlorphenesin brain_cancer GAP_LOW 0.1042 0.08333333333333333 fluticasone_propionate Low-priority: Computational docking chlorphenesin vs brain_cancer targets. Cross-check chlorphenesin pharmacophore against brain_cancer pathway. chlorphenesin intracranial_aneurysm GAP_LOW 0.1042 0.08333333333333333 fluticasone_propionate Low-priority: Computational docking chlorphenesin vs intracranial_aneurysm targets. Cross-check chlorphenesin pharmacophore against intracranial_aneurysm pathway. desmopressin restless_legs_syndrome GAP_LOW 0.1042 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs restless_legs_syndrome targets. Cross-check desmopressin pharmacophore against restless_legs_syndrome pathway. vitamin_a osteoporosis GAP_LOW 0.1042 0.08333333333333333 danazol Low-priority: Computational docking vitamin_a vs osteoporosis targets. Cross-check vitamin_a pharmacophore against osteoporosis pathway. vitamin_a ovarian_cancer GAP_LOW 0.1042 0.08333333333333333 danazol Low-priority: Computational docking vitamin_a vs ovarian_cancer targets. Cross-check vitamin_a pharmacophore against ovarian_cancer pathway. imatinib azoospermia GAP_LOW 0.1042 0.075 acetylsalicylic_acid Low-priority: Computational docking imatinib vs azoospermia targets. Cross-check imatinib pharmacophore against azoospermia pathway. telmisartan chronic_kidney_failure GAP_LOW 0.1042 0.07142857142857142 clotrimazole Low-priority: Computational docking telmisartan vs chronic_kidney_failure targets. Cross-check telmisartan pharmacophore against chronic_kidney_failure pathway. desmopressin mediastinal_cancer GAP_LOW 0.1042 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs mediastinal_cancer targets. Cross-check desmopressin pharmacophore against mediastinal_cancer pathway. estradiol_valeratedienogest bone_cancer GAP_LOW 0.1042 0.05555555555555555 tetrahydrofolic_acid Low-priority: Computational docking estradiol_valeratedienogest vs bone_cancer targets. Cross-check estradiol_valeratedienogest pharmacophore against bone_cancer pathway. trifluridine alzheimers_disease GAP_LOW 0.1042 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking trifluridine vs alzheimers_disease targets. Cross-check trifluridine pharmacophore against alzheimers_disease pathway. trifluridine parkinsons_disease GAP_LOW 0.1042 0.047619047619047616 acetylsalicylic_acid Low-priority: Computational docking trifluridine vs parkinsons_disease targets. Cross-check trifluridine pharmacophore against parkinsons_disease pathway. felypressin pharynx_cancer GAP_LOW 0.1042 0.043478260869565216 droxidopa Low-priority: Computational docking felypressin vs pharynx_cancer targets. Cross-check felypressin pharmacophore against pharynx_cancer pathway. tolterodine leprosy GAP_LOW 0.1042 0.022222222222222223 phensuximide Low-priority: Computational docking tolterodine vs leprosy targets. Cross-check tolterodine pharmacophore against leprosy pathway. aspartame leprosy GAP_LOW 0.1042 0.0 sulfapyridine Low-priority: Computational docking aspartame vs leprosy targets. Cross-check aspartame pharmacophore against leprosy pathway. indapamide leprosy GAP_LOW 0.1042 0.0 sulfapyridine Low-priority: Computational docking indapamide vs leprosy targets. Cross-check indapamide pharmacophore against leprosy pathway. estrone primary_biliary_cirrhosis GAP_HIGH 0.1041 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to exemestane (Jaccard=0.27) estrone thymus_cancer GAP_HIGH 0.1041 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in thymus_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) indecainide duodenum_cancer GAP_HIGH 0.1041 0.2 thioridazine High-priority: Binding assay indecainide→?; validate in duodenum_cancer cell model. Expected: similar to thioridazine (Jaccard=0.20) indecainide gallbladder_cancer GAP_HIGH 0.1041 0.2 thioridazine High-priority: Binding assay indecainide→?; validate in gallbladder_cancer cell model. Expected: similar to thioridazine (Jaccard=0.20) ketoprofen testicular_cancer GAP_HIGH 0.1041 0.2 metipranolol High-priority: Binding assay ketoprofen→?; validate in testicular_cancer cell model. Expected: similar to metipranolol (Jaccard=0.20) phenelzine penile_cancer GAP_HIGH 0.1041 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) fluorometholone conduct_disorder GAP_HIGH 0.1041 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) dextroamphetamine lung_cancer GAP_HIGH 0.1041 0.17647058823529413 l-dopa High-priority: Binding assay dextroamphetamine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.18) dextroamphetamine rectum_cancer GAP_HIGH 0.1041 0.17647058823529413 l-dopa High-priority: Binding assay dextroamphetamine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.18) sulfapyridine uterine_cancer GAP_HIGH 0.1041 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in uterine_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) oxybuprocaine ovarian_cancer GAP_HIGH 0.1041 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in ovarian_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) oxybuprocaine psoriasis GAP_HIGH 0.1041 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in psoriasis cell model. Expected: similar to modafinil (Jaccard=0.17) oxybuprocaine uterine_cancer GAP_HIGH 0.1041 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) azatadine kidney_cancer GAP_HIGH 0.1041 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in kidney_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) azatadine nephrolithiasis GAP_HIGH 0.1041 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in nephrolithiasis cell model. Expected: similar to alendronate (Jaccard=0.17) fosphenytoin gilles_de_la_tourette_syndrome GAP_HIGH 0.1041 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to phenylbutazone (Jaccard=0.16) ketorolac malignant_mesothelioma GAP_LOW 0.1041 0.14285714285714285 diphemanil_methylsulfate Low-priority: Computational docking ketorolac vs malignant_mesothelioma targets. Cross-check ketorolac pharmacophore against malignant_mesothelioma pathway. dimetindene meningioma GAP_LOW 0.1041 0.12 methadone Low-priority: Computational docking dimetindene vs meningioma targets. Cross-check dimetindene pharmacophore against meningioma pathway. alitretinoin breast_cancer GAP_LOW 0.1041 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs breast_cancer targets. Cross-check alitretinoin pharmacophore against breast_cancer pathway. allylestrenol amyotrophic_lateral_sclerosis GAP_LOW 0.1041 0.1111111111111111 raloxifene Low-priority: Computational docking allylestrenol vs amyotrophic_lateral_sclerosis targets. Cross-check allylestrenol pharmacophore against amyotrophic_lateral_sclerosis pathway. desogestrel attention_deficit_hyperactivity_disorder GAP_LOW 0.1041 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs attention_deficit_hyperactivity_disorder targets. Cross-check desogestrel pharmacophore against attention_deficit_hyperactivity_disorder pathway. indapamide type_1_diabetes_mellitus GAP_LOW 0.1041 0.1 glimepiride Low-priority: Computational docking indapamide vs type_1_diabetes_mellitus targets. Cross-check indapamide pharmacophore against type_1_diabetes_mellitus pathway. pimozide nephrolithiasis GAP_LOW 0.1041 0.1 methyclothiazide Low-priority: Computational docking pimozide vs nephrolithiasis targets. Cross-check pimozide pharmacophore against nephrolithiasis pathway. etidronic_acid refractive_error GAP_LOW 0.1041 0.09090909090909091 arbutamine Low-priority: Computational docking etidronic_acid vs refractive_error targets. Cross-check etidronic_acid pharmacophore against refractive_error pathway. telmisartan mediastinal_cancer GAP_LOW 0.1041 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs mediastinal_cancer targets. Cross-check telmisartan pharmacophore against mediastinal_cancer pathway. desmopressin vitiligo GAP_LOW 0.1041 0.08333333333333333 zolpidem Low-priority: Computational docking desmopressin vs vitiligo targets. Cross-check desmopressin pharmacophore against vitiligo pathway. mepyramine hepatitis_b GAP_LOW 0.1041 0.07692307692307693 trandolapril Low-priority: Computational docking mepyramine vs hepatitis_b targets. Cross-check mepyramine pharmacophore against hepatitis_b pathway. diclofenamide idiopathic_pulmonary_fibrosis GAP_LOW 0.1041 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs idiopathic_pulmonary_fibrosis targets. Cross-check diclofenamide pharmacophore against idiopathic_pulmonary_fibrosis pathway. diclofenamide prostate_cancer GAP_LOW 0.1041 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs prostate_cancer targets. Cross-check diclofenamide pharmacophore against prostate_cancer pathway. cytarabine migraine GAP_LOW 0.1041 0.06666666666666667 chloroprocaine Low-priority: Computational docking cytarabine vs migraine targets. Cross-check cytarabine pharmacophore against migraine pathway. droperidol alopecia_areata GAP_LOW 0.1041 0.06666666666666667 levorphanol Low-priority: Computational docking droperidol vs alopecia_areata targets. Cross-check droperidol pharmacophore against alopecia_areata pathway. ceruletide crohns_disease GAP_LOW 0.1041 0.05555555555555555 testosterone_propionate Low-priority: Computational docking ceruletide vs crohns_disease targets. Cross-check ceruletide pharmacophore against crohns_disease pathway. codeine brain_cancer GAP_LOW 0.1041 0.041666666666666664 levorphanol Low-priority: Computational docking codeine vs brain_cancer targets. Cross-check codeine pharmacophore against brain_cancer pathway. acetic_acid celiac_disease GAP_LOW 0.1041 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs celiac_disease targets. Cross-check acetic_acid pharmacophore against celiac_disease pathway. clonazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1041 0.0 mitiglinide Low-priority: Computational docking clonazepam vs acquired_immunodeficiency_syndrome targets. Cross-check clonazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. clotiazepam acquired_immunodeficiency_syndrome GAP_LOW 0.1041 0.0 mitiglinide Low-priority: Computational docking clotiazepam vs acquired_immunodeficiency_syndrome targets. Cross-check clotiazepam pharmacophore against acquired_immunodeficiency_syndrome pathway. conivaptan asthma GAP_LOW 0.1041 0.0 cinolazepam Low-priority: Computational docking conivaptan vs asthma targets. Cross-check conivaptan pharmacophore against asthma pathway. conivaptan panic_disorder GAP_LOW 0.1041 0.0 flurazepam Low-priority: Computational docking conivaptan vs panic_disorder targets. Cross-check conivaptan pharmacophore against panic_disorder pathway. conivaptan schizophrenia GAP_LOW 0.1041 0.0 flurazepam Low-priority: Computational docking conivaptan vs schizophrenia targets. Cross-check conivaptan pharmacophore against schizophrenia pathway. dobutamine acquired_immunodeficiency_syndrome GAP_LOW 0.1041 0.0 mitiglinide Low-priority: Computational docking dobutamine vs acquired_immunodeficiency_syndrome targets. Cross-check dobutamine pharmacophore against acquired_immunodeficiency_syndrome pathway. linaclotide penile_cancer GAP_LOW 0.1041 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs penile_cancer targets. Cross-check linaclotide pharmacophore against penile_cancer pathway. diphenylpyraline primary_biliary_cirrhosis GAP_HIGH 0.104 0.30434782608695654 benzatropine High-priority: Binding assay diphenylpyraline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.30) desipramine head_and_neck_cancer GAP_HIGH 0.104 0.2 vincristine High-priority: Binding assay desipramine→?; validate in head_and_neck_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) desipramine malignant_glioma GAP_HIGH 0.104 0.2 vincristine High-priority: Binding assay desipramine→?; validate in malignant_glioma cell model. Expected: similar to vincristine (Jaccard=0.20) pazopanib conduct_disorder GAP_HIGH 0.104 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.20) pazopanib panic_disorder GAP_HIGH 0.104 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.20) pazopanib schizophrenia GAP_HIGH 0.104 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.20) fluorometholone bipolar_disorder GAP_HIGH 0.104 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone bipolar_disorder GAP_HIGH 0.104 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) lisinopril uterine_fibroid GAP_HIGH 0.104 0.18181818181818182 desipramine High-priority: Binding assay lisinopril→?; validate in uterine_fibroid cell model. Expected: similar to desipramine (Jaccard=0.18) tranylcypromine uterine_cancer GAP_HIGH 0.104 0.16666666666666666 mitiglinide High-priority: Binding assay tranylcypromine→?; validate in uterine_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) afatinib ankylosing_spondylitis GAP_HIGH 0.104 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in ankylosing_spondylitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) methylprednisolone chronic_kidney_failure GAP_HIGH 0.104 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in chronic_kidney_failure cell model. Expected: similar to floctafenine (Jaccard=0.15) oxazepam meningioma GAP_LOW 0.104 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs meningioma targets. Cross-check oxazepam pharmacophore against meningioma pathway. phenindamine head_and_neck_cancer GAP_LOW 0.104 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs head_and_neck_cancer targets. Cross-check phenindamine pharmacophore against head_and_neck_cancer pathway. phenindamine malignant_glioma GAP_LOW 0.104 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs malignant_glioma targets. Cross-check phenindamine pharmacophore against malignant_glioma pathway. sulfamethizole restless_legs_syndrome GAP_LOW 0.104 0.14285714285714285 methyclothiazide Low-priority: Computational docking sulfamethizole vs restless_legs_syndrome targets. Cross-check sulfamethizole pharmacophore against restless_legs_syndrome pathway. adenosine_triphosphate malignant_mesothelioma GAP_LOW 0.104 0.1388888888888889 entecavir Low-priority: Computational docking adenosine_triphosphate vs malignant_mesothelioma targets. Cross-check adenosine_triphosphate pharmacophore against malignant_mesothelioma pathway. chlorphenesin psoriasis GAP_LOW 0.104 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs psoriasis targets. Cross-check chlorphenesin pharmacophore against psoriasis pathway. diethylpropion meningioma GAP_LOW 0.104 0.13043478260869565 phenylbutazone Low-priority: Computational docking diethylpropion vs meningioma targets. Cross-check diethylpropion pharmacophore against meningioma pathway. tolmetin mediastinal_cancer GAP_LOW 0.104 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs mediastinal_cancer targets. Cross-check tolmetin pharmacophore against mediastinal_cancer pathway. tolmetin penile_cancer GAP_LOW 0.104 0.11538461538461539 hydrocortisone Low-priority: Computational docking tolmetin vs penile_cancer targets. Cross-check tolmetin pharmacophore against penile_cancer pathway. diclofenac type_1_diabetes_mellitus GAP_LOW 0.104 0.1111111111111111 bezafibrate Low-priority: Computational docking diclofenac vs type_1_diabetes_mellitus targets. Cross-check diclofenac pharmacophore against type_1_diabetes_mellitus pathway. moricizine alcohol_dependence GAP_LOW 0.104 0.10526315789473684 levorphanol Low-priority: Computational docking moricizine vs alcohol_dependence targets. Cross-check moricizine pharmacophore against alcohol_dependence pathway. lidocaine type_1_diabetes_mellitus GAP_LOW 0.104 0.1 cyclandelate Low-priority: Computational docking lidocaine vs type_1_diabetes_mellitus targets. Cross-check lidocaine pharmacophore against type_1_diabetes_mellitus pathway. estazolam celiac_disease GAP_LOW 0.104 0.0967741935483871 chlorcyclizine Low-priority: Computational docking estazolam vs celiac_disease targets. Cross-check estazolam pharmacophore against celiac_disease pathway. telmisartan thymus_cancer GAP_LOW 0.104 0.09090909090909091 voacamine Low-priority: Computational docking telmisartan vs thymus_cancer targets. Cross-check telmisartan pharmacophore against thymus_cancer pathway. cyproterone_acetate atherosclerosis GAP_LOW 0.104 0.08333333333333333 salicylic_acid Low-priority: Computational docking cyproterone_acetate vs atherosclerosis targets. Cross-check cyproterone_acetate pharmacophore against atherosclerosis pathway. sorafenib gestational_diabetes GAP_LOW 0.104 0.08 gliclazide Low-priority: Computational docking sorafenib vs gestational_diabetes targets. Cross-check sorafenib pharmacophore against gestational_diabetes pathway. clotiazepam salivary_gland_cancer GAP_LOW 0.104 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs salivary_gland_cancer targets. Cross-check clotiazepam pharmacophore against salivary_gland_cancer pathway. sunitinib dilated_cardiomyopathy GAP_LOW 0.104 0.07692307692307693 ciprofloxacin Low-priority: Computational docking sunitinib vs dilated_cardiomyopathy targets. Cross-check sunitinib pharmacophore against dilated_cardiomyopathy pathway. clotiazepam melanoma GAP_LOW 0.104 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs melanoma targets. Cross-check clotiazepam pharmacophore against melanoma pathway. folic_acid leprosy GAP_LOW 0.104 0.06666666666666667 menadione Low-priority: Computational docking folic_acid vs leprosy targets. Cross-check folic_acid pharmacophore against leprosy pathway. tetrahydrofolic_acid leprosy GAP_LOW 0.104 0.06666666666666667 menadione Low-priority: Computational docking tetrahydrofolic_acid vs leprosy targets. Cross-check tetrahydrofolic_acid pharmacophore against leprosy pathway. sulfanilamide refractive_error GAP_LOW 0.104 0.0625 practolol Low-priority: Computational docking sulfanilamide vs refractive_error targets. Cross-check sulfanilamide pharmacophore against refractive_error pathway. adinazolam brain_cancer GAP_LOW 0.104 0.058823529411764705 levorphanol Low-priority: Computational docking adinazolam vs brain_cancer targets. Cross-check adinazolam pharmacophore against brain_cancer pathway. imatinib larynx_cancer GAP_LOW 0.104 0.038461538461538464 vincristine Low-priority: Computational docking imatinib vs larynx_cancer targets. Cross-check imatinib pharmacophore against larynx_cancer pathway. l-methionine lung_cancer GAP_LOW 0.104 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs lung_cancer targets. Cross-check l-methionine pharmacophore against lung_cancer pathway. l-methionine rectum_cancer GAP_LOW 0.104 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs rectum_cancer targets. Cross-check l-methionine pharmacophore against rectum_cancer pathway. conivaptan atopic_dermatitis GAP_LOW 0.104 0.0 cinolazepam Low-priority: Computational docking conivaptan vs atopic_dermatitis targets. Cross-check conivaptan pharmacophore against atopic_dermatitis pathway. conivaptan breast_cancer GAP_LOW 0.104 0.0 flurazepam Low-priority: Computational docking conivaptan vs breast_cancer targets. Cross-check conivaptan pharmacophore against breast_cancer pathway. conivaptan colon_cancer GAP_LOW 0.104 0.0 flurazepam Low-priority: Computational docking conivaptan vs colon_cancer targets. Cross-check conivaptan pharmacophore against colon_cancer pathway. conivaptan conduct_disorder GAP_LOW 0.104 0.0 flurazepam Low-priority: Computational docking conivaptan vs conduct_disorder targets. Cross-check conivaptan pharmacophore against conduct_disorder pathway. epinephrine focal_segmental_glomerulosclerosis GAP_LOW 0.104 0.0 methdilazine Low-priority: Computational docking epinephrine vs focal_segmental_glomerulosclerosis targets. Cross-check epinephrine pharmacophore against focal_segmental_glomerulosclerosis pathway. chlorprothixene melanoma GAP_HIGH 0.1039 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.26) acetylsalicylic_acid thyroid_cancer GAP_HIGH 0.1039 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in thyroid_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) estradiol mediastinal_cancer GAP_HIGH 0.1039 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in mediastinal_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) phenelzine malignant_mesothelioma GAP_HIGH 0.1039 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.20) fluorometholone endogenous_depression GAP_HIGH 0.1039 0.1875 levorphanol High-priority: Binding assay fluorometholone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) methylprednisolone endogenous_depression GAP_HIGH 0.1039 0.1875 levorphanol High-priority: Binding assay methylprednisolone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) pazopanib glaucoma GAP_HIGH 0.1039 0.15384615384615385 dinoprost_tromethamine High-priority: Binding assay pazopanib→?; validate in glaucoma cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.15) clodronate celiac_disease GAP_LOW 0.1039 0.14285714285714285 dapsone Low-priority: Computational docking clodronate vs celiac_disease targets. Cross-check clodronate pharmacophore against celiac_disease pathway. phenindamine kidney_cancer GAP_LOW 0.1039 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs kidney_cancer targets. Cross-check phenindamine pharmacophore against kidney_cancer pathway. procaine type_1_diabetes_mellitus GAP_LOW 0.1039 0.14285714285714285 tolbutamide Low-priority: Computational docking procaine vs type_1_diabetes_mellitus targets. Cross-check procaine pharmacophore against type_1_diabetes_mellitus pathway. lisinopril kidney_cancer GAP_LOW 0.1039 0.13333333333333333 tolazamide Low-priority: Computational docking lisinopril vs kidney_cancer targets. Cross-check lisinopril pharmacophore against kidney_cancer pathway. chlorphenesin ovarian_cancer GAP_LOW 0.1039 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs ovarian_cancer targets. Cross-check chlorphenesin pharmacophore against ovarian_cancer pathway. tolmetin thymus_cancer GAP_LOW 0.1039 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs thymus_cancer targets. Cross-check tolmetin pharmacophore against thymus_cancer pathway. indapamide prostate_cancer GAP_LOW 0.1039 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs prostate_cancer targets. Cross-check indapamide pharmacophore against prostate_cancer pathway. cladribine gout GAP_LOW 0.1039 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs gout targets. Cross-check cladribine pharmacophore against gout pathway. alitretinoin pancreatic_cancer GAP_LOW 0.1039 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs pancreatic_cancer targets. Cross-check alitretinoin pharmacophore against pancreatic_cancer pathway. alitretinoin ulcerative_colitis GAP_LOW 0.1039 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs ulcerative_colitis targets. Cross-check alitretinoin pharmacophore against ulcerative_colitis pathway. hydromorphone salivary_gland_cancer GAP_LOW 0.1039 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs salivary_gland_cancer targets. Cross-check hydromorphone pharmacophore against salivary_gland_cancer pathway. ospemifene conduct_disorder GAP_LOW 0.1039 0.1111111111111111 menadione Low-priority: Computational docking ospemifene vs conduct_disorder targets. Cross-check ospemifene pharmacophore against conduct_disorder pathway. aspartame chronic_kidney_failure GAP_LOW 0.1039 0.10526315789473684 trimipramine Low-priority: Computational docking aspartame vs chronic_kidney_failure targets. Cross-check aspartame pharmacophore against chronic_kidney_failure pathway. telmisartan thyroid_cancer GAP_LOW 0.1039 0.1 procaine Low-priority: Computational docking telmisartan vs thyroid_cancer targets. Cross-check telmisartan pharmacophore against thyroid_cancer pathway. tretinoin chronic_obstructive_pulmonary_disease GAP_LOW 0.1039 0.1 dopamine Low-priority: Computational docking tretinoin vs chronic_obstructive_pulmonary_disease targets. Cross-check tretinoin pharmacophore against chronic_obstructive_pulmonary_disease pathway. tretinoin epilepsy_syndrome GAP_LOW 0.1039 0.1 triamterene Low-priority: Computational docking tretinoin vs epilepsy_syndrome targets. Cross-check tretinoin pharmacophore against epilepsy_syndrome pathway. paricalcitol multiple_sclerosis GAP_LOW 0.1039 0.09090909090909091 ketorolac Low-priority: Computational docking paricalcitol vs multiple_sclerosis targets. Cross-check paricalcitol pharmacophore against multiple_sclerosis pathway. flurazepam malignant_mesothelioma GAP_LOW 0.1039 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs malignant_mesothelioma targets. Cross-check flurazepam pharmacophore against malignant_mesothelioma pathway. ospemifene membranous_glomerulonephritis GAP_LOW 0.1039 0.08 toremifene Low-priority: Computational docking ospemifene vs membranous_glomerulonephritis targets. Cross-check ospemifene pharmacophore against membranous_glomerulonephritis pathway. diclofenamide mediastinal_cancer GAP_LOW 0.1039 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs mediastinal_cancer targets. Cross-check diclofenamide pharmacophore against mediastinal_cancer pathway. dobutamine focal_segmental_glomerulosclerosis GAP_LOW 0.1039 0.05 tamsulosin Low-priority: Computational docking dobutamine vs focal_segmental_glomerulosclerosis targets. Cross-check dobutamine pharmacophore against focal_segmental_glomerulosclerosis pathway. phenylephrine hepatitis_b GAP_LOW 0.1039 0.045454545454545456 ribavirin Low-priority: Computational docking phenylephrine vs hepatitis_b targets. Cross-check phenylephrine pharmacophore against hepatitis_b pathway. hydrochlorothiazide type_1_diabetes_mellitus GAP_LOW 0.1039 0.041666666666666664 sulfapyridine Low-priority: Computational docking hydrochlorothiazide vs type_1_diabetes_mellitus targets. Cross-check hydrochlorothiazide pharmacophore against type_1_diabetes_mellitus pathway. l-methionine liver_cancer GAP_LOW 0.1039 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs liver_cancer targets. Cross-check l-methionine pharmacophore against liver_cancer pathway. alfacalcidol dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking alfacalcidol vs dilated_cardiomyopathy targets. Cross-check alfacalcidol pharmacophore against dilated_cardiomyopathy pathway. allylestrenol bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking allylestrenol vs bone_cancer targets. Cross-check allylestrenol pharmacophore against bone_cancer pathway. allylestrenol gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking allylestrenol vs gestational_diabetes targets. Cross-check allylestrenol pharmacophore against gestational_diabetes pathway. calcidiol dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking calcidiol vs dilated_cardiomyopathy targets. Cross-check calcidiol pharmacophore against dilated_cardiomyopathy pathway. calcipotriol dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking calcipotriol vs dilated_cardiomyopathy targets. Cross-check calcipotriol pharmacophore against dilated_cardiomyopathy pathway. clofarabine gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking clofarabine vs gestational_diabetes targets. Cross-check clofarabine pharmacophore against gestational_diabetes pathway. conivaptan allergic_rhinitis GAP_LOW 0.1039 0.0 flurazepam Low-priority: Computational docking conivaptan vs allergic_rhinitis targets. Cross-check conivaptan pharmacophore against allergic_rhinitis pathway. conivaptan bipolar_disorder GAP_LOW 0.1039 0.0 flurazepam Low-priority: Computational docking conivaptan vs bipolar_disorder targets. Cross-check conivaptan pharmacophore against bipolar_disorder pathway. dihydrotachysterol dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking dihydrotachysterol vs dilated_cardiomyopathy targets. Cross-check dihydrotachysterol pharmacophore against dilated_cardiomyopathy pathway. doxapram dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking doxapram vs dilated_cardiomyopathy targets. Cross-check doxapram pharmacophore against dilated_cardiomyopathy pathway. doxylamine bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking doxylamine vs bone_cancer targets. Cross-check doxylamine pharmacophore against bone_cancer pathway. doxylamine gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking doxylamine vs gestational_diabetes targets. Cross-check doxylamine pharmacophore against gestational_diabetes pathway. epinephrine gilles_de_la_tourette_syndrome GAP_LOW 0.1039 0.0 loxapine Low-priority: Computational docking epinephrine vs gilles_de_la_tourette_syndrome targets. Cross-check epinephrine pharmacophore against gilles_de_la_tourette_syndrome pathway. methyltestosterone bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking methyltestosterone vs bone_cancer targets. Cross-check methyltestosterone pharmacophore against bone_cancer pathway. olanzapine dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking olanzapine vs dilated_cardiomyopathy targets. Cross-check olanzapine pharmacophore against dilated_cardiomyopathy pathway. probenecid bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking probenecid vs bone_cancer targets. Cross-check probenecid pharmacophore against bone_cancer pathway. probenecid gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking probenecid vs gestational_diabetes targets. Cross-check probenecid pharmacophore against gestational_diabetes pathway. ribavirin gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking ribavirin vs gestational_diabetes targets. Cross-check ribavirin pharmacophore against gestational_diabetes pathway. ritodrine gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking ritodrine vs gestational_diabetes targets. Cross-check ritodrine pharmacophore against gestational_diabetes pathway. selegiline bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking selegiline vs bone_cancer targets. Cross-check selegiline pharmacophore against bone_cancer pathway. selegiline gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking selegiline vs gestational_diabetes targets. Cross-check selegiline pharmacophore against gestational_diabetes pathway. testosterone gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking testosterone vs gestational_diabetes targets. Cross-check testosterone pharmacophore against gestational_diabetes pathway. tolazoline bone_cancer GAP_LOW 0.1039 0.0 ibandronate Low-priority: Computational docking tolazoline vs bone_cancer targets. Cross-check tolazoline pharmacophore against bone_cancer pathway. tolazoline gestational_diabetes GAP_LOW 0.1039 0.0 tolazamide Low-priority: Computational docking tolazoline vs gestational_diabetes targets. Cross-check tolazoline pharmacophore against gestational_diabetes pathway. ziprasidone dilated_cardiomyopathy GAP_LOW 0.1039 0.0 hydrocortisone Low-priority: Computational docking ziprasidone vs dilated_cardiomyopathy targets. Cross-check ziprasidone pharmacophore against dilated_cardiomyopathy pathway. pseudoephedrine asthma GAP_HIGH 0.1038 0.2916666666666667 diethylpropion High-priority: Binding assay pseudoephedrine→?; validate in asthma cell model. Expected: similar to diethylpropion (Jaccard=0.29) promethazine penile_cancer GAP_HIGH 0.1038 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) desipramine prostate_cancer GAP_HIGH 0.1038 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in prostate_cancer cell model. Expected: similar to trimipramine (Jaccard=0.22) nateglinide esophageal_cancer GAP_HIGH 0.1038 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in esophageal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) estradiol thymus_cancer GAP_HIGH 0.1038 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in thymus_cancer cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) desipramine nephrolithiasis GAP_HIGH 0.1038 0.2 vincristine High-priority: Binding assay desipramine→?; validate in nephrolithiasis cell model. Expected: similar to vincristine (Jaccard=0.20) pazopanib bipolar_disorder GAP_HIGH 0.1038 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.20) sunitinib coronary_artery_disease GAP_HIGH 0.1038 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.19) moricizine type_1_diabetes_mellitus GAP_HIGH 0.1038 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.18) methamphetamine duodenum_cancer GAP_HIGH 0.1038 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) methamphetamine gallbladder_cancer GAP_HIGH 0.1038 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) methamphetamine melanoma GAP_HIGH 0.1038 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in melanoma cell model. Expected: similar to melphalan (Jaccard=0.18) l-histidine gout GAP_HIGH 0.1038 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in gout cell model. Expected: similar to l-tyrosine (Jaccard=0.17) nitrazepam vulva_cancer GAP_HIGH 0.1038 0.16666666666666666 carbamazepine High-priority: Binding assay nitrazepam→?; validate in vulva_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.17) afatinib epilepsy_syndrome GAP_HIGH 0.1038 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) docetaxel azoospermia GAP_HIGH 0.1038 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) phenindamine nephrolithiasis GAP_LOW 0.1038 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs nephrolithiasis targets. Cross-check phenindamine pharmacophore against nephrolithiasis pathway. adenine creutzfeldt-jakob_disease GAP_LOW 0.1038 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs creutzfeldt-jakob_disease targets. Cross-check adenine pharmacophore against creutzfeldt-jakob_disease pathway. nitrazepam azoospermia GAP_LOW 0.1038 0.13333333333333333 oxaprozin Low-priority: Computational docking nitrazepam vs azoospermia targets. Cross-check nitrazepam pharmacophore against azoospermia pathway. estradiol_valeratedienogest focal_segmental_glomerulosclerosis GAP_LOW 0.1038 0.13043478260869565 dimetacrine Low-priority: Computational docking estradiol_valeratedienogest vs focal_segmental_glomerulosclerosis targets. Cross-check estradiol_valeratedienogest pharmacophore against focal_segmental_glomerulosclerosis pathway. tolmetin malignant_mesothelioma GAP_LOW 0.1038 0.11538461538461539 hydrocortisone Low-priority: Computational docking tolmetin vs malignant_mesothelioma targets. Cross-check tolmetin pharmacophore against malignant_mesothelioma pathway. alitretinoin ovarian_cancer GAP_LOW 0.1038 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs ovarian_cancer targets. Cross-check alitretinoin pharmacophore against ovarian_cancer pathway. desogestrel conduct_disorder GAP_LOW 0.1038 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs conduct_disorder targets. Cross-check desogestrel pharmacophore against conduct_disorder pathway. desogestrel panic_disorder GAP_LOW 0.1038 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs panic_disorder targets. Cross-check desogestrel pharmacophore against panic_disorder pathway. desogestrel schizophrenia GAP_LOW 0.1038 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs schizophrenia targets. Cross-check desogestrel pharmacophore against schizophrenia pathway. hydromorphone muscle_cancer GAP_LOW 0.1038 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs muscle_cancer targets. Cross-check hydromorphone pharmacophore against muscle_cancer pathway. tripelennamine refractive_error GAP_LOW 0.1038 0.1111111111111111 metaraminol Low-priority: Computational docking tripelennamine vs refractive_error targets. Cross-check tripelennamine pharmacophore against refractive_error pathway. droperidol primary_biliary_cirrhosis GAP_LOW 0.1038 0.1 cyclopentolate Low-priority: Computational docking droperidol vs primary_biliary_cirrhosis targets. Cross-check droperidol pharmacophore against primary_biliary_cirrhosis pathway. zidovudine head_and_neck_cancer GAP_LOW 0.1038 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs head_and_neck_cancer targets. Cross-check zidovudine pharmacophore against head_and_neck_cancer pathway. zidovudine malignant_glioma GAP_LOW 0.1038 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs malignant_glioma targets. Cross-check zidovudine pharmacophore against malignant_glioma pathway. furosemide nephrolithiasis GAP_LOW 0.1038 0.08333333333333333 methyclothiazide Low-priority: Computational docking furosemide vs nephrolithiasis targets. Cross-check furosemide pharmacophore against nephrolithiasis pathway. clotiazepam ocular_cancer GAP_LOW 0.1038 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs ocular_cancer targets. Cross-check clotiazepam pharmacophore against ocular_cancer pathway. diclofenamide thymus_cancer GAP_LOW 0.1038 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs thymus_cancer targets. Cross-check diclofenamide pharmacophore against thymus_cancer pathway. aciclovir melanoma GAP_LOW 0.1038 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs melanoma targets. Cross-check aciclovir pharmacophore against melanoma pathway. aciclovir meningioma GAP_LOW 0.1038 0.047619047619047616 fentanyl Low-priority: Computational docking aciclovir vs meningioma targets. Cross-check aciclovir pharmacophore against meningioma pathway. conivaptan endogenous_depression GAP_LOW 0.1038 0.0 flurazepam Low-priority: Computational docking conivaptan vs endogenous_depression targets. Cross-check conivaptan pharmacophore against endogenous_depression pathway. conivaptan psoriasis GAP_LOW 0.1038 0.0 loxapine Low-priority: Computational docking conivaptan vs psoriasis targets. Cross-check conivaptan pharmacophore against psoriasis pathway. conivaptan ulcerative_colitis GAP_LOW 0.1038 0.0 loxapine Low-priority: Computational docking conivaptan vs ulcerative_colitis targets. Cross-check conivaptan pharmacophore against ulcerative_colitis pathway. linaclotide malignant_mesothelioma GAP_LOW 0.1038 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs malignant_mesothelioma targets. Cross-check linaclotide pharmacophore against malignant_mesothelioma pathway. droxidopa creutzfeldt-jakob_disease GAP_HIGH 0.1037 0.25 l-dopa High-priority: Binding assay droxidopa→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.25) clozapine salivary_gland_cancer GAP_HIGH 0.1037 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) acetophenazine gout GAP_HIGH 0.1037 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in gout cell model. Expected: similar to atropine (Jaccard=0.20) acetophenazine primary_biliary_cirrhosis GAP_HIGH 0.1037 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to atropine (Jaccard=0.20) methotrexate narcolepsy GAP_HIGH 0.1037 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.20) pazopanib endogenous_depression GAP_HIGH 0.1037 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.20) propafenone primary_biliary_cirrhosis GAP_HIGH 0.1037 0.1875 alvimopan High-priority: Binding assay propafenone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to alvimopan (Jaccard=0.19) floctafenine testicular_cancer GAP_HIGH 0.1037 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in testicular_cancer cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) chloroprocaine duodenum_cancer GAP_HIGH 0.1037 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in duodenum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) chloroprocaine gallbladder_cancer GAP_HIGH 0.1037 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in gallbladder_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) nitrazepam vascular_cancer GAP_HIGH 0.1037 0.16666666666666666 carbamazepine High-priority: Binding assay nitrazepam→?; validate in vascular_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.17) loperamide alcohol_dependence GAP_HIGH 0.1037 0.16 levorphanol High-priority: Binding assay loperamide→?; validate in alcohol_dependence cell model. Expected: similar to levorphanol (Jaccard=0.16) chloroprocaine meningioma GAP_HIGH 0.1037 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.16) adenosine_monophosphate malignant_mesothelioma GAP_HIGH 0.1037 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in malignant_mesothelioma cell model. Expected: similar to entecavir (Jaccard=0.16) floctafenine prostate_cancer GAP_HIGH 0.1037 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in prostate_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) nitrazepam crohns_disease GAP_LOW 0.1037 0.14285714285714285 phenindamine Low-priority: Computational docking nitrazepam vs crohns_disease targets. Cross-check nitrazepam pharmacophore against crohns_disease pathway. chlorphenesin systemic_lupus_erythematosus GAP_LOW 0.1037 0.13043478260869565 bezafibrate Low-priority: Computational docking chlorphenesin vs systemic_lupus_erythematosus targets. Cross-check chlorphenesin pharmacophore against systemic_lupus_erythematosus pathway. levonorgestrel alzheimers_disease GAP_LOW 0.1037 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs alzheimers_disease targets. Cross-check levonorgestrel pharmacophore against alzheimers_disease pathway. levonorgestrel autistic_disorder GAP_LOW 0.1037 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs autistic_disorder targets. Cross-check levonorgestrel pharmacophore against autistic_disorder pathway. tolmetin hematologic_cancer GAP_LOW 0.1037 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs hematologic_cancer targets. Cross-check tolmetin pharmacophore against hematologic_cancer pathway. indapamide mediastinal_cancer GAP_LOW 0.1037 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs mediastinal_cancer targets. Cross-check indapamide pharmacophore against mediastinal_cancer pathway. ramipril brain_cancer GAP_LOW 0.1037 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs brain_cancer targets. Cross-check ramipril pharmacophore against brain_cancer pathway. ramipril intracranial_aneurysm GAP_LOW 0.1037 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs intracranial_aneurysm targets. Cross-check ramipril pharmacophore against intracranial_aneurysm pathway. crizotinib hepatitis_b GAP_LOW 0.1037 0.10344827586206896 glucosamine Low-priority: Computational docking crizotinib vs hepatitis_b targets. Cross-check crizotinib pharmacophore against hepatitis_b pathway. danazol chronic_kidney_failure GAP_LOW 0.1037 0.09090909090909091 ergocalciferol Low-priority: Computational docking danazol vs chronic_kidney_failure targets. Cross-check danazol pharmacophore against chronic_kidney_failure pathway. zidovudine kidney_cancer GAP_LOW 0.1037 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs kidney_cancer targets. Cross-check zidovudine pharmacophore against kidney_cancer pathway. ethynodiol atherosclerosis GAP_LOW 0.1037 0.08695652173913043 acetylsalicylic_acid Low-priority: Computational docking ethynodiol vs atherosclerosis targets. Cross-check ethynodiol pharmacophore against atherosclerosis pathway. dihydrotachysterol melanoma GAP_LOW 0.1037 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs melanoma targets. Cross-check dihydrotachysterol pharmacophore against melanoma pathway. desmopressin chronic_obstructive_pulmonary_disease GAP_LOW 0.1037 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs chronic_obstructive_pulmonary_disease targets. Cross-check desmopressin pharmacophore against chronic_obstructive_pulmonary_disease pathway. desmopressin epilepsy_syndrome GAP_LOW 0.1037 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs epilepsy_syndrome targets. Cross-check desmopressin pharmacophore against epilepsy_syndrome pathway. l-methionine urinary_bladder_cancer GAP_LOW 0.1037 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs urinary_bladder_cancer targets. Cross-check l-methionine pharmacophore against urinary_bladder_cancer pathway. alitretinoin alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking alitretinoin vs alcohol_dependence targets. Cross-check alitretinoin pharmacophore against alcohol_dependence pathway. azacitidine alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking azacitidine vs alcohol_dependence targets. Cross-check azacitidine pharmacophore against alcohol_dependence pathway. calcium_acetate duodenum_cancer GAP_LOW 0.1037 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs duodenum_cancer targets. Cross-check calcium_acetate pharmacophore against duodenum_cancer pathway. calcium_acetate gallbladder_cancer GAP_LOW 0.1037 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs gallbladder_cancer targets. Cross-check calcium_acetate pharmacophore against gallbladder_cancer pathway. conivaptan migraine GAP_LOW 0.1037 0.0 flurazepam Low-priority: Computational docking conivaptan vs migraine targets. Cross-check conivaptan pharmacophore against migraine pathway. conivaptan ovarian_cancer GAP_LOW 0.1037 0.0 flurazepam Low-priority: Computational docking conivaptan vs ovarian_cancer targets. Cross-check conivaptan pharmacophore against ovarian_cancer pathway. dipivefrin alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking dipivefrin vs alcohol_dependence targets. Cross-check dipivefrin pharmacophore against alcohol_dependence pathway. regadenoson alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking regadenoson vs alcohol_dependence targets. Cross-check regadenoson pharmacophore against alcohol_dependence pathway. tolmetin alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking tolmetin vs alcohol_dependence targets. Cross-check tolmetin pharmacophore against alcohol_dependence pathway. tretinoin alcohol_dependence GAP_LOW 0.1037 0.0 midazolam Low-priority: Computational docking tretinoin vs alcohol_dependence targets. Cross-check tretinoin pharmacophore against alcohol_dependence pathway. phenytoin membranous_glomerulonephritis GAP_HIGH 0.1036 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorprothixene (Jaccard=0.26) acetylsalicylic_acid pancreatitis GAP_HIGH 0.1036 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in pancreatitis cell model. Expected: similar to lapatinib (Jaccard=0.24) desipramine mediastinal_cancer GAP_HIGH 0.1036 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.22) atomoxetine hepatitis_b GAP_HIGH 0.1036 0.18181818181818182 alvimopan High-priority: Binding assay atomoxetine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.18) oxybuprocaine skin_cancer GAP_HIGH 0.1036 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in skin_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) levonorgestrel amyotrophic_lateral_sclerosis GAP_LOW 0.1036 0.125 rasagiline Low-priority: Computational docking levonorgestrel vs amyotrophic_lateral_sclerosis targets. Cross-check levonorgestrel pharmacophore against amyotrophic_lateral_sclerosis pathway. indapamide thymus_cancer GAP_LOW 0.1036 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs thymus_cancer targets. Cross-check indapamide pharmacophore against thymus_cancer pathway. desogestrel bipolar_disorder GAP_LOW 0.1036 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs bipolar_disorder targets. Cross-check desogestrel pharmacophore against bipolar_disorder pathway. hydromorphone ocular_cancer GAP_LOW 0.1036 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs ocular_cancer targets. Cross-check hydromorphone pharmacophore against ocular_cancer pathway. tretinoin restless_legs_syndrome GAP_LOW 0.1036 0.1111111111111111 amphetamine Low-priority: Computational docking tretinoin vs restless_legs_syndrome targets. Cross-check tretinoin pharmacophore against restless_legs_syndrome pathway. cinchocaine uterine_cancer GAP_LOW 0.1036 0.1 modafinil Low-priority: Computational docking cinchocaine vs uterine_cancer targets. Cross-check cinchocaine pharmacophore against uterine_cancer pathway. azacitidine ankylosing_spondylitis GAP_LOW 0.1036 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking azacitidine vs ankylosing_spondylitis targets. Cross-check azacitidine pharmacophore against ankylosing_spondylitis pathway. zidovudine nephrolithiasis GAP_LOW 0.1036 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs nephrolithiasis targets. Cross-check zidovudine pharmacophore against nephrolithiasis pathway. dihydrotachysterol duodenum_cancer GAP_LOW 0.1036 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs duodenum_cancer targets. Cross-check dihydrotachysterol pharmacophore against duodenum_cancer pathway. dihydrotachysterol gallbladder_cancer GAP_LOW 0.1036 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs gallbladder_cancer targets. Cross-check dihydrotachysterol pharmacophore against gallbladder_cancer pathway. quinethazone brain_cancer GAP_LOW 0.1036 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs brain_cancer targets. Cross-check quinethazone pharmacophore against brain_cancer pathway. quinethazone intracranial_aneurysm GAP_LOW 0.1036 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs intracranial_aneurysm targets. Cross-check quinethazone pharmacophore against intracranial_aneurysm pathway. aminosalicylic_acid leprosy GAP_LOW 0.1036 0.08 sulfapyridine Low-priority: Computational docking aminosalicylic_acid vs leprosy targets. Cross-check aminosalicylic_acid pharmacophore against leprosy pathway. indomethacin lung_cancer GAP_LOW 0.1036 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs lung_cancer targets. Cross-check indomethacin pharmacophore against lung_cancer pathway. indomethacin rectum_cancer GAP_LOW 0.1036 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs rectum_cancer targets. Cross-check indomethacin pharmacophore against rectum_cancer pathway. trilostane gilles_de_la_tourette_syndrome GAP_LOW 0.1036 0.07692307692307693 carbinoxamine Low-priority: Computational docking trilostane vs gilles_de_la_tourette_syndrome targets. Cross-check trilostane pharmacophore against gilles_de_la_tourette_syndrome pathway. diclofenamide hematologic_cancer GAP_LOW 0.1036 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs hematologic_cancer targets. Cross-check diclofenamide pharmacophore against hematologic_cancer pathway. diclofenamide narcolepsy GAP_LOW 0.1036 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs narcolepsy targets. Cross-check diclofenamide pharmacophore against narcolepsy pathway. fluspirilene alopecia_areata GAP_LOW 0.1036 0.06666666666666667 levorphanol Low-priority: Computational docking fluspirilene vs alopecia_areata targets. Cross-check fluspirilene pharmacophore against alopecia_areata pathway. lenalidomide celiac_disease GAP_LOW 0.1036 0.0625 droxidopa Low-priority: Computational docking lenalidomide vs celiac_disease targets. Cross-check lenalidomide pharmacophore against celiac_disease pathway. dihydrotachysterol gilles_de_la_tourette_syndrome GAP_LOW 0.1036 0.05555555555555555 anileridine Low-priority: Computational docking dihydrotachysterol vs gilles_de_la_tourette_syndrome targets. Cross-check dihydrotachysterol pharmacophore against gilles_de_la_tourette_syndrome pathway. felypressin salivary_gland_cancer GAP_LOW 0.1036 0.043478260869565216 droxidopa Low-priority: Computational docking felypressin vs salivary_gland_cancer targets. Cross-check felypressin pharmacophore against salivary_gland_cancer pathway. estradiol_valeratedienogest leprosy GAP_LOW 0.1036 0.02040816326530612 phensuximide Low-priority: Computational docking estradiol_valeratedienogest vs leprosy targets. Cross-check estradiol_valeratedienogest pharmacophore against leprosy pathway. s-adenosylmethionine alcohol_dependence GAP_LOW 0.1036 0.018867924528301886 hydromorphone Low-priority: Computational docking s-adenosylmethionine vs alcohol_dependence targets. Cross-check s-adenosylmethionine pharmacophore against alcohol_dependence pathway. dopamine malaria GAP_LOW 0.1036 0.0 ethotoin Low-priority: Computational docking dopamine vs malaria targets. Cross-check dopamine pharmacophore against malaria pathway. indomethacin malaria GAP_LOW 0.1036 0.0 ethotoin Low-priority: Computational docking indomethacin vs malaria targets. Cross-check indomethacin pharmacophore against malaria pathway. norepinephrine malaria GAP_LOW 0.1036 0.0 ethotoin Low-priority: Computational docking norepinephrine vs malaria targets. Cross-check norepinephrine pharmacophore against malaria pathway. trifluridine malaria GAP_LOW 0.1036 0.0 ethotoin Low-priority: Computational docking trifluridine vs malaria targets. Cross-check trifluridine pharmacophore against malaria pathway. mazindol sarcoma GAP_HIGH 0.1035 0.2653061224489796 chlorcyclizine High-priority: Binding assay mazindol→?; validate in sarcoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.27) oxaprozin penile_cancer GAP_HIGH 0.1035 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) desipramine thymus_cancer GAP_HIGH 0.1035 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.22) cyclizine pharynx_cancer GAP_HIGH 0.1035 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) propafenone melanoma GAP_HIGH 0.1035 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.19) sulfapyridine testicular_cancer GAP_HIGH 0.1035 0.1724137931034483 droxidopa High-priority: Binding assay sulfapyridine→?; validate in testicular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.17) oxybuprocaine vulva_cancer GAP_HIGH 0.1035 0.17142857142857143 modafinil High-priority: Binding assay oxybuprocaine→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.17) floctafenine mediastinal_cancer GAP_HIGH 0.1035 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in mediastinal_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) oxcarbazepine kidney_cancer GAP_HIGH 0.1035 0.15384615384615385 aminoglutethimide High-priority: Binding assay oxcarbazepine→?; validate in kidney_cancer cell model. Expected: similar to aminoglutethimide (Jaccard=0.15) voacamine head_and_neck_cancer GAP_HIGH 0.1035 0.15384615384615385 teniposide High-priority: Binding assay voacamine→?; validate in head_and_neck_cancer cell model. Expected: similar to teniposide (Jaccard=0.15) crizotinib chronic_kidney_failure GAP_LOW 0.1035 0.13043478260869565 acetylsalicylic_acid Low-priority: Computational docking crizotinib vs chronic_kidney_failure targets. Cross-check crizotinib pharmacophore against chronic_kidney_failure pathway. danazol alzheimers_disease GAP_LOW 0.1035 0.125 bifonazole Low-priority: Computational docking danazol vs alzheimers_disease targets. Cross-check danazol pharmacophore against alzheimers_disease pathway. trandolapril esophageal_cancer GAP_LOW 0.1035 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs esophageal_cancer targets. Cross-check trandolapril pharmacophore against esophageal_cancer pathway. desogestrel endogenous_depression GAP_LOW 0.1035 0.1111111111111111 bifonazole Low-priority: Computational docking desogestrel vs endogenous_depression targets. Cross-check desogestrel pharmacophore against endogenous_depression pathway. alprazolam salivary_gland_cancer GAP_LOW 0.1035 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs salivary_gland_cancer targets. Cross-check alprazolam pharmacophore against salivary_gland_cancer pathway. epirubicin lymphatic_system_cancer GAP_LOW 0.1035 0.1 riboflavin Low-priority: Computational docking epirubicin vs lymphatic_system_cancer targets. Cross-check epirubicin pharmacophore against lymphatic_system_cancer pathway. indapamide intracranial_aneurysm GAP_LOW 0.1035 0.1 procarbazine Low-priority: Computational docking indapamide vs intracranial_aneurysm targets. Cross-check indapamide pharmacophore against intracranial_aneurysm pathway. desipramine gestational_diabetes GAP_LOW 0.1035 0.09090909090909091 glimepiride Low-priority: Computational docking desipramine vs gestational_diabetes targets. Cross-check desipramine pharmacophore against gestational_diabetes pathway. furosemide germ_cell_cancer GAP_LOW 0.1035 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs germ_cell_cancer targets. Cross-check furosemide pharmacophore against germ_cell_cancer pathway. levonorgestrel chronic_kidney_failure GAP_LOW 0.1035 0.09090909090909091 ergocalciferol Low-priority: Computational docking levonorgestrel vs chronic_kidney_failure targets. Cross-check levonorgestrel pharmacophore against chronic_kidney_failure pathway. milnacipran penile_cancer GAP_LOW 0.1035 0.08 methadone Low-priority: Computational docking milnacipran vs penile_cancer targets. Cross-check milnacipran pharmacophore against penile_cancer pathway. bepotastine malaria GAP_LOW 0.1035 0.07142857142857142 methylphenobarbital Low-priority: Computational docking bepotastine vs malaria targets. Cross-check bepotastine pharmacophore against malaria pathway. ergocalciferol refractive_error GAP_LOW 0.1035 0.05555555555555555 droxidopa Low-priority: Computational docking ergocalciferol vs refractive_error targets. Cross-check ergocalciferol pharmacophore against refractive_error pathway. cinchocaine esophageal_cancer GAP_LOW 0.1035 0.047619047619047616 topotecan Low-priority: Computational docking cinchocaine vs esophageal_cancer targets. Cross-check cinchocaine pharmacophore against esophageal_cancer pathway. phenindione gestational_diabetes GAP_LOW 0.1035 0.03225806451612903 bezafibrate Low-priority: Computational docking phenindione vs gestational_diabetes targets. Cross-check phenindione pharmacophore against gestational_diabetes pathway. modafinil focal_segmental_glomerulosclerosis GAP_HIGH 0.1034 0.2692307692307692 promethazine High-priority: Binding assay modafinil→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.27) acetylsalicylic_acid muscle_cancer GAP_HIGH 0.1034 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in muscle_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) clozapine ocular_cancer GAP_HIGH 0.1034 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) desipramine coronary_artery_disease GAP_HIGH 0.1034 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in coronary_artery_disease cell model. Expected: similar to trimipramine (Jaccard=0.22) phensuximide sclerosing_cholangitis GAP_HIGH 0.1034 0.20833333333333334 chlordiazepoxide High-priority: Binding assay phensuximide→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.21) prochlorperazine mediastinal_cancer GAP_HIGH 0.1034 0.2 isopropamide High-priority: Binding assay prochlorperazine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) prochlorperazine primary_biliary_cirrhosis GAP_HIGH 0.1034 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to atropine (Jaccard=0.20) nitrazepam uterine_fibroid GAP_HIGH 0.1034 0.16666666666666666 carbamazepine High-priority: Binding assay nitrazepam→?; validate in uterine_fibroid cell model. Expected: similar to carbamazepine (Jaccard=0.17) tranylcypromine vulva_cancer GAP_HIGH 0.1034 0.16666666666666666 mitiglinide High-priority: Binding assay tranylcypromine→?; validate in vulva_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.17) floctafenine thymus_cancer GAP_HIGH 0.1034 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in thymus_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) sulfamethizole uterine_cancer GAP_LOW 0.1034 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs uterine_cancer targets. Cross-check sulfamethizole pharmacophore against uterine_cancer pathway. bethanidine malaria GAP_LOW 0.1034 0.125 tranylcypromine Low-priority: Computational docking bethanidine vs malaria targets. Cross-check bethanidine pharmacophore against malaria pathway. danazol amyotrophic_lateral_sclerosis GAP_LOW 0.1034 0.125 rasagiline Low-priority: Computational docking danazol vs amyotrophic_lateral_sclerosis targets. Cross-check danazol pharmacophore against amyotrophic_lateral_sclerosis pathway. epirubicin gilles_de_la_tourette_syndrome GAP_LOW 0.1034 0.125 butenafine Low-priority: Computational docking epirubicin vs gilles_de_la_tourette_syndrome targets. Cross-check epirubicin pharmacophore against gilles_de_la_tourette_syndrome pathway. levonorgestrel attention_deficit_hyperactivity_disorder GAP_LOW 0.1034 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs attention_deficit_hyperactivity_disorder targets. Cross-check levonorgestrel pharmacophore against attention_deficit_hyperactivity_disorder pathway. indapamide coronary_artery_disease GAP_LOW 0.1034 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs coronary_artery_disease targets. Cross-check indapamide pharmacophore against coronary_artery_disease pathway. indapamide hematologic_cancer GAP_LOW 0.1034 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs hematologic_cancer targets. Cross-check indapamide pharmacophore against hematologic_cancer pathway. indapamide narcolepsy GAP_LOW 0.1034 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs narcolepsy targets. Cross-check indapamide pharmacophore against narcolepsy pathway. probenecid meningioma GAP_LOW 0.1034 0.1206896551724138 metoclopramide Low-priority: Computational docking probenecid vs meningioma targets. Cross-check probenecid pharmacophore against meningioma pathway. alitretinoin metabolic_syndrome_x GAP_LOW 0.1034 0.1111111111111111 prazosin Low-priority: Computational docking alitretinoin vs metabolic_syndrome_x targets. Cross-check alitretinoin pharmacophore against metabolic_syndrome_x pathway. aprindine lymphatic_system_cancer GAP_LOW 0.1034 0.1111111111111111 aciclovir Low-priority: Computational docking aprindine vs lymphatic_system_cancer targets. Cross-check aprindine pharmacophore against lymphatic_system_cancer pathway. trilostane creutzfeldt-jakob_disease GAP_LOW 0.1034 0.1111111111111111 raloxifene Low-priority: Computational docking trilostane vs creutzfeldt-jakob_disease targets. Cross-check trilostane pharmacophore against creutzfeldt-jakob_disease pathway. norethindrone alcohol_dependence GAP_LOW 0.1034 0.1 levorphanol Low-priority: Computational docking norethindrone vs alcohol_dependence targets. Cross-check norethindrone pharmacophore against alcohol_dependence pathway. acetylsalicylic_acid dilated_cardiomyopathy GAP_LOW 0.1034 0.0967741935483871 progesterone Low-priority: Computational docking acetylsalicylic_acid vs dilated_cardiomyopathy targets. Cross-check acetylsalicylic_acid pharmacophore against dilated_cardiomyopathy pathway. procarbazine acquired_immunodeficiency_syndrome GAP_LOW 0.1034 0.09090909090909091 alvimopan Low-priority: Computational docking procarbazine vs acquired_immunodeficiency_syndrome targets. Cross-check procarbazine pharmacophore against acquired_immunodeficiency_syndrome pathway. desogestrel azoospermia GAP_LOW 0.1034 0.08333333333333333 dienestrol Low-priority: Computational docking desogestrel vs azoospermia targets. Cross-check desogestrel pharmacophore against azoospermia pathway. clotiazepam peripheral_nervous_system_neoplasm GAP_LOW 0.1034 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs peripheral_nervous_system_neoplasm targets. Cross-check clotiazepam pharmacophore against peripheral_nervous_system_neoplasm pathway. indomethacin liver_cancer GAP_LOW 0.1034 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs liver_cancer targets. Cross-check indomethacin pharmacophore against liver_cancer pathway. pazopanib dilated_cardiomyopathy GAP_LOW 0.1034 0.07407407407407407 progesterone Low-priority: Computational docking pazopanib vs dilated_cardiomyopathy targets. Cross-check pazopanib pharmacophore against dilated_cardiomyopathy pathway. etonogestrel gilles_de_la_tourette_syndrome GAP_LOW 0.1034 0.07142857142857142 clotrimazole Low-priority: Computational docking etonogestrel vs gilles_de_la_tourette_syndrome targets. Cross-check etonogestrel pharmacophore against gilles_de_la_tourette_syndrome pathway. crizotinib acquired_immunodeficiency_syndrome GAP_LOW 0.1034 0.0625 lisinopril Low-priority: Computational docking crizotinib vs acquired_immunodeficiency_syndrome targets. Cross-check crizotinib pharmacophore against acquired_immunodeficiency_syndrome pathway. atenolol brain_cancer GAP_LOW 0.1034 0.058823529411764705 estradiol_valeratedienogest Low-priority: Computational docking atenolol vs brain_cancer targets. Cross-check atenolol pharmacophore against brain_cancer pathway. felypressin muscle_cancer GAP_LOW 0.1034 0.043478260869565216 droxidopa Low-priority: Computational docking felypressin vs muscle_cancer targets. Cross-check felypressin pharmacophore against muscle_cancer pathway. alitretinoin atherosclerosis GAP_LOW 0.1034 0.04 acetylsalicylic_acid Low-priority: Computational docking alitretinoin vs atherosclerosis targets. Cross-check alitretinoin pharmacophore against atherosclerosis pathway. adenosine_triphosphate dilated_cardiomyopathy GAP_LOW 0.1034 0.023255813953488372 drospirenone Low-priority: Computational docking adenosine_triphosphate vs dilated_cardiomyopathy targets. Cross-check adenosine_triphosphate pharmacophore against dilated_cardiomyopathy pathway. l-cysteine urinary_bladder_cancer GAP_LOW 0.1034 0.021739130434782608 dexamethasone Low-priority: Computational docking l-cysteine vs urinary_bladder_cancer targets. Cross-check l-cysteine pharmacophore against urinary_bladder_cancer pathway. gliclazide alopecia_areata GAP_LOW 0.1034 0.0 hydrocortisone Low-priority: Computational docking gliclazide vs alopecia_areata targets. Cross-check gliclazide pharmacophore against alopecia_areata pathway. goserelin leprosy GAP_LOW 0.1034 0.0 sulfapyridine Low-priority: Computational docking goserelin vs leprosy targets. Cross-check goserelin pharmacophore against leprosy pathway. lapatinib leprosy GAP_LOW 0.1034 0.0 sulfapyridine Low-priority: Computational docking lapatinib vs leprosy targets. Cross-check lapatinib pharmacophore against leprosy pathway. loratadine alopecia_areata GAP_LOW 0.1034 0.0 hydrocortisone Low-priority: Computational docking loratadine vs alopecia_areata targets. Cross-check loratadine pharmacophore against alopecia_areata pathway. methadyl_acetate leprosy GAP_LOW 0.1034 0.0 sulfapyridine Low-priority: Computational docking methadyl_acetate vs leprosy targets. Cross-check methadyl_acetate pharmacophore against leprosy pathway. nabumetone glaucoma GAP_LOW 0.1034 0.0 pirbuterol Low-priority: Computational docking nabumetone vs glaucoma targets. Cross-check nabumetone pharmacophore against glaucoma pathway. phenoxybenzamine leprosy GAP_LOW 0.1034 0.0 sulfapyridine Low-priority: Computational docking phenoxybenzamine vs leprosy targets. Cross-check phenoxybenzamine pharmacophore against leprosy pathway. tolazamide alopecia_areata GAP_LOW 0.1034 0.0 hydrocortisone Low-priority: Computational docking tolazamide vs alopecia_areata targets. Cross-check tolazamide pharmacophore against alopecia_areata pathway. acetylsalicylic_acid lung_cancer GAP_HIGH 0.1033 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in lung_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid rectum_cancer GAP_HIGH 0.1033 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in rectum_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) pazopanib metabolic_syndrome_x GAP_HIGH 0.1033 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in metabolic_syndrome_x cell model. Expected: similar to naloxone (Jaccard=0.20) phenelzine meningioma GAP_HIGH 0.1033 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.20) prochlorperazine thymus_cancer GAP_HIGH 0.1033 0.2 isopropamide High-priority: Binding assay prochlorperazine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) phenelzine brain_cancer GAP_HIGH 0.1033 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in brain_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) phenelzine intracranial_aneurysm GAP_HIGH 0.1033 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in intracranial_aneurysm cell model. Expected: similar to alendronate (Jaccard=0.18) bromodiphenhydramine penile_cancer GAP_HIGH 0.1033 0.16666666666666666 methadone High-priority: Binding assay bromodiphenhydramine→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.17) flurandrenolide focal_segmental_glomerulosclerosis GAP_LOW 0.1033 0.14285714285714285 floctafenine Low-priority: Computational docking flurandrenolide vs focal_segmental_glomerulosclerosis targets. Cross-check flurandrenolide pharmacophore against focal_segmental_glomerulosclerosis pathway. epirubicin type_1_diabetes_mellitus GAP_LOW 0.1033 0.125 tioguanine Low-priority: Computational docking epirubicin vs type_1_diabetes_mellitus targets. Cross-check epirubicin pharmacophore against type_1_diabetes_mellitus pathway. tranylcypromine refractive_error GAP_LOW 0.1033 0.125 phenylpropanolamine Low-priority: Computational docking tranylcypromine vs refractive_error targets. Cross-check tranylcypromine pharmacophore against refractive_error pathway. hydromorphone peripheral_nervous_system_neoplasm GAP_LOW 0.1033 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs peripheral_nervous_system_neoplasm targets. Cross-check hydromorphone pharmacophore against peripheral_nervous_system_neoplasm pathway. alprazolam ocular_cancer GAP_LOW 0.1033 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs ocular_cancer targets. Cross-check alprazolam pharmacophore against ocular_cancer pathway. flurazepam meningioma GAP_LOW 0.1033 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs meningioma targets. Cross-check flurazepam pharmacophore against meningioma pathway. chlorphenesin malignant_glioma GAP_LOW 0.1033 0.08333333333333333 fluticasone_propionate Low-priority: Computational docking chlorphenesin vs malignant_glioma targets. Cross-check chlorphenesin pharmacophore against malignant_glioma pathway. flurandrenolide gestational_diabetes GAP_LOW 0.1033 0.07407407407407407 bezafibrate Low-priority: Computational docking flurandrenolide vs gestational_diabetes targets. Cross-check flurandrenolide pharmacophore against gestational_diabetes pathway. desmopressin hypertension GAP_LOW 0.1033 0.07142857142857142 ergocalciferol Low-priority: Computational docking desmopressin vs hypertension targets. Cross-check desmopressin pharmacophore against hypertension pathway. ceruletide coronary_artery_disease GAP_LOW 0.1033 0.05555555555555555 testosterone_propionate Low-priority: Computational docking ceruletide vs coronary_artery_disease targets. Cross-check ceruletide pharmacophore against coronary_artery_disease pathway. tolmetin malaria GAP_LOW 0.1033 0.05555555555555555 sulfanilamide Low-priority: Computational docking tolmetin vs malaria targets. Cross-check tolmetin pharmacophore against malaria pathway. pirbuterol hepatitis_b GAP_LOW 0.1033 0.05263157894736842 ribavirin Low-priority: Computational docking pirbuterol vs hepatitis_b targets. Cross-check pirbuterol pharmacophore against hepatitis_b pathway. felypressin ocular_cancer GAP_LOW 0.1033 0.043478260869565216 droxidopa Low-priority: Computational docking felypressin vs ocular_cancer targets. Cross-check felypressin pharmacophore against ocular_cancer pathway. antipyrine hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking antipyrine vs hepatitis_b targets. Cross-check antipyrine pharmacophore against hepatitis_b pathway. colchicine hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking colchicine vs hepatitis_b targets. Cross-check colchicine pharmacophore against hepatitis_b pathway. fenbufen hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking fenbufen vs hepatitis_b targets. Cross-check fenbufen pharmacophore against hepatitis_b pathway. ketazolam hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking ketazolam vs hepatitis_b targets. Cross-check ketazolam pharmacophore against hepatitis_b pathway. melatonin hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking melatonin vs hepatitis_b targets. Cross-check melatonin pharmacophore against hepatitis_b pathway. methsuximide hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking methsuximide vs hepatitis_b targets. Cross-check methsuximide pharmacophore against hepatitis_b pathway. prazepam hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking prazepam vs hepatitis_b targets. Cross-check prazepam pharmacophore against hepatitis_b pathway. theophylline hepatitis_b GAP_LOW 0.1033 0.0 mitiglinide Low-priority: Computational docking theophylline vs hepatitis_b targets. Cross-check theophylline pharmacophore against hepatitis_b pathway. amitriptyline membranous_glomerulonephritis GAP_HIGH 0.1032 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to alimemazine (Jaccard=0.23) afatinib alzheimers_disease GAP_HIGH 0.1032 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib parkinsons_disease GAP_HIGH 0.1032 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) bethanidine kidney_cancer GAP_HIGH 0.1032 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) promazine alcohol_dependence GAP_HIGH 0.1032 0.15384615384615385 temazepam High-priority: Binding assay promazine→?; validate in alcohol_dependence cell model. Expected: similar to temazepam (Jaccard=0.15) suprofen gilles_de_la_tourette_syndrome GAP_LOW 0.1032 0.14285714285714285 alvimopan Low-priority: Computational docking suprofen vs gilles_de_la_tourette_syndrome targets. Cross-check suprofen pharmacophore against gilles_de_la_tourette_syndrome pathway. adenine epilepsy_syndrome GAP_LOW 0.1032 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs epilepsy_syndrome targets. Cross-check adenine pharmacophore against epilepsy_syndrome pathway. chlorphenesin breast_cancer GAP_LOW 0.1032 0.125 primidone Low-priority: Computational docking chlorphenesin vs breast_cancer targets. Cross-check chlorphenesin pharmacophore against breast_cancer pathway. levonorgestrel panic_disorder GAP_LOW 0.1032 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs panic_disorder targets. Cross-check levonorgestrel pharmacophore against panic_disorder pathway. lisinopril esophageal_cancer GAP_LOW 0.1032 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs esophageal_cancer targets. Cross-check lisinopril pharmacophore against esophageal_cancer pathway. pemetrexed asthma GAP_LOW 0.1032 0.1111111111111111 menadione Low-priority: Computational docking pemetrexed vs asthma targets. Cross-check pemetrexed pharmacophore against asthma pathway. pemetrexed breast_cancer GAP_LOW 0.1032 0.1111111111111111 menadione Low-priority: Computational docking pemetrexed vs breast_cancer targets. Cross-check pemetrexed pharmacophore against breast_cancer pathway. enalapril germ_cell_cancer GAP_LOW 0.1032 0.1 doxorubicin Low-priority: Computational docking enalapril vs germ_cell_cancer targets. Cross-check enalapril pharmacophore against germ_cell_cancer pathway. tiaprofenic_acid gestational_diabetes GAP_LOW 0.1032 0.1 bezafibrate Low-priority: Computational docking tiaprofenic_acid vs gestational_diabetes targets. Cross-check tiaprofenic_acid pharmacophore against gestational_diabetes pathway. dihydrotachysterol stomach_cancer GAP_LOW 0.1032 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs stomach_cancer targets. Cross-check dihydrotachysterol pharmacophore against stomach_cancer pathway. adenine alcohol_dependence GAP_LOW 0.1032 0.05263157894736842 levorphanol Low-priority: Computational docking adenine vs alcohol_dependence targets. Cross-check adenine pharmacophore against alcohol_dependence pathway. calcitriol refractive_error GAP_LOW 0.1032 0.05263157894736842 droxidopa Low-priority: Computational docking calcitriol vs refractive_error targets. Cross-check calcitriol pharmacophore against refractive_error pathway. vitamin_a celiac_disease GAP_LOW 0.1032 0.05 sorafenib Low-priority: Computational docking vitamin_a vs celiac_disease targets. Cross-check vitamin_a pharmacophore against celiac_disease pathway. l-methionine stomach_cancer GAP_LOW 0.1032 0.024390243902439025 sirolimus Low-priority: Computational docking l-methionine vs stomach_cancer targets. Cross-check l-methionine pharmacophore against stomach_cancer pathway. linaclotide meningioma GAP_LOW 0.1032 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs meningioma targets. Cross-check linaclotide pharmacophore against meningioma pathway. triflupromazine skin_cancer GAP_HIGH 0.1031 0.25 carbamazepine High-priority: Binding assay triflupromazine→?; validate in skin_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.25) acetylsalicylic_acid liver_cancer GAP_HIGH 0.1031 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in liver_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) clozapine peripheral_nervous_system_neoplasm GAP_HIGH 0.1031 0.22727272727272727 phenylbutazone High-priority: Binding assay clozapine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.23) vismodegib uterine_cancer GAP_HIGH 0.1031 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in uterine_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) ifenprodil membranous_glomerulonephritis GAP_HIGH 0.1031 0.18518518518518517 bevantolol High-priority: Binding assay ifenprodil→?; validate in membranous_glomerulonephritis cell model. Expected: similar to bevantolol (Jaccard=0.19) flurandrenolide alzheimers_disease GAP_HIGH 0.1031 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.18) flurandrenolide nicotine_dependence GAP_HIGH 0.1031 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) afatinib autistic_disorder GAP_HIGH 0.1031 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in autistic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) diclofenac salivary_gland_cancer GAP_HIGH 0.1031 0.15384615384615385 epinephrine High-priority: Binding assay diclofenac→?; validate in salivary_gland_cancer cell model. Expected: similar to epinephrine (Jaccard=0.15) ketorolac pharynx_cancer GAP_HIGH 0.1031 0.15384615384615385 clonidine High-priority: Binding assay ketorolac→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.15) alvimopan penile_cancer GAP_LOW 0.1031 0.14285714285714285 fentanyl Low-priority: Computational docking alvimopan vs penile_cancer targets. Cross-check alvimopan pharmacophore against penile_cancer pathway. cinnarizine glaucoma GAP_LOW 0.1031 0.14285714285714285 metaraminol Low-priority: Computational docking cinnarizine vs glaucoma targets. Cross-check cinnarizine pharmacophore against glaucoma pathway. floctafenine kidney_cancer GAP_LOW 0.1031 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs kidney_cancer targets. Cross-check floctafenine pharmacophore against kidney_cancer pathway. fulvestrant gilles_de_la_tourette_syndrome GAP_LOW 0.1031 0.125 clotrimazole Low-priority: Computational docking fulvestrant vs gilles_de_la_tourette_syndrome targets. Cross-check fulvestrant pharmacophore against gilles_de_la_tourette_syndrome pathway. levonorgestrel conduct_disorder GAP_LOW 0.1031 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs conduct_disorder targets. Cross-check levonorgestrel pharmacophore against conduct_disorder pathway. levonorgestrel schizophrenia GAP_LOW 0.1031 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs schizophrenia targets. Cross-check levonorgestrel pharmacophore against schizophrenia pathway. oxybuprocaine type_1_diabetes_mellitus GAP_LOW 0.1031 0.11764705882352941 atropine Low-priority: Computational docking oxybuprocaine vs type_1_diabetes_mellitus targets. Cross-check oxybuprocaine pharmacophore against type_1_diabetes_mellitus pathway. pemetrexed allergic_rhinitis GAP_LOW 0.1031 0.1111111111111111 menadione Low-priority: Computational docking pemetrexed vs allergic_rhinitis targets. Cross-check pemetrexed pharmacophore against allergic_rhinitis pathway. alitretinoin ankylosing_spondylitis GAP_LOW 0.1031 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs ankylosing_spondylitis targets. Cross-check alitretinoin pharmacophore against ankylosing_spondylitis pathway. diethylpropion esophageal_cancer GAP_LOW 0.1031 0.1 melphalan Low-priority: Computational docking diethylpropion vs esophageal_cancer targets. Cross-check diethylpropion pharmacophore against esophageal_cancer pathway. fluspirilene primary_biliary_cirrhosis GAP_LOW 0.1031 0.1 cyclopentolate Low-priority: Computational docking fluspirilene vs primary_biliary_cirrhosis targets. Cross-check fluspirilene pharmacophore against primary_biliary_cirrhosis pathway. difenoxin refractive_error GAP_LOW 0.1031 0.09523809523809523 sotalol Low-priority: Computational docking difenoxin vs refractive_error targets. Cross-check difenoxin pharmacophore against refractive_error pathway. dihydrotachysterol pancreatic_cancer GAP_LOW 0.1031 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs pancreatic_cancer targets. Cross-check dihydrotachysterol pharmacophore against pancreatic_cancer pathway. estazolam refractive_error GAP_LOW 0.1031 0.09090909090909091 metaraminol Low-priority: Computational docking estazolam vs refractive_error targets. Cross-check estazolam pharmacophore against refractive_error pathway. trilostane membranous_glomerulonephritis GAP_LOW 0.1031 0.09090909090909091 calcitriol Low-priority: Computational docking trilostane vs membranous_glomerulonephritis targets. Cross-check trilostane pharmacophore against membranous_glomerulonephritis pathway. entecavir type_1_diabetes_mellitus GAP_LOW 0.1031 0.08333333333333333 tioguanine Low-priority: Computational docking entecavir vs type_1_diabetes_mellitus targets. Cross-check entecavir pharmacophore against type_1_diabetes_mellitus pathway. imipramine alopecia_areata GAP_LOW 0.1031 0.08333333333333333 dexamethasone Low-priority: Computational docking imipramine vs alopecia_areata targets. Cross-check imipramine pharmacophore against alopecia_areata pathway. clonazepam larynx_cancer GAP_LOW 0.1031 0.045454545454545456 alendronate Low-priority: Computational docking clonazepam vs larynx_cancer targets. Cross-check clonazepam pharmacophore against larynx_cancer pathway. tamsulosin brain_cancer GAP_LOW 0.1031 0.045454545454545456 epirubicin Low-priority: Computational docking tamsulosin vs brain_cancer targets. Cross-check tamsulosin pharmacophore against brain_cancer pathway. tamsulosin intracranial_aneurysm GAP_LOW 0.1031 0.045454545454545456 epirubicin Low-priority: Computational docking tamsulosin vs intracranial_aneurysm targets. Cross-check tamsulosin pharmacophore against intracranial_aneurysm pathway. nilotinib gilles_de_la_tourette_syndrome GAP_LOW 0.1031 0.04 loperamide Low-priority: Computational docking nilotinib vs gilles_de_la_tourette_syndrome targets. Cross-check nilotinib pharmacophore against gilles_de_la_tourette_syndrome pathway. ethynodiol gestational_diabetes GAP_LOW 0.1031 0.03571428571428571 bezafibrate Low-priority: Computational docking ethynodiol vs gestational_diabetes targets. Cross-check ethynodiol pharmacophore against gestational_diabetes pathway. promethazine meningioma GAP_HIGH 0.103 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.27) chlorprothixene thyroid_cancer GAP_HIGH 0.103 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.26) lacosamide liver_cancer GAP_HIGH 0.103 0.21428571428571427 mitiglinide High-priority: Binding assay lacosamide→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.21) methyldopa esophageal_cancer GAP_HIGH 0.103 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.21) buclizine penile_cancer GAP_HIGH 0.103 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) cyclopentolate focal_segmental_glomerulosclerosis GAP_HIGH 0.103 0.18181818181818182 naftifine High-priority: Binding assay cyclopentolate→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.18) fulvestrant restless_legs_syndrome GAP_HIGH 0.103 0.17647058823529413 betamethasone High-priority: Binding assay fulvestrant→?; validate in restless_legs_syndrome cell model. Expected: similar to betamethasone (Jaccard=0.18) sulfapyridine thyroid_cancer GAP_HIGH 0.103 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) fluorometholone chronic_kidney_failure GAP_HIGH 0.103 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in chronic_kidney_failure cell model. Expected: similar to floctafenine (Jaccard=0.15) pazopanib larynx_cancer GAP_LOW 0.103 0.13333333333333333 docetaxel Low-priority: Computational docking pazopanib vs larynx_cancer targets. Cross-check pazopanib pharmacophore against larynx_cancer pathway. floctafenine nephrolithiasis GAP_LOW 0.103 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs nephrolithiasis targets. Cross-check floctafenine pharmacophore against nephrolithiasis pathway. levonorgestrel bipolar_disorder GAP_LOW 0.103 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs bipolar_disorder targets. Cross-check levonorgestrel pharmacophore against bipolar_disorder pathway. medroxyprogesterone_acetate nicotine_dependence GAP_LOW 0.103 0.125 l-tryptophan Low-priority: Computational docking medroxyprogesterone_acetate vs nicotine_dependence targets. Cross-check medroxyprogesterone_acetate pharmacophore against nicotine_dependence pathway. spironolactone alcohol_dependence GAP_LOW 0.103 0.125 dextromethorphan Low-priority: Computational docking spironolactone vs alcohol_dependence targets. Cross-check spironolactone pharmacophore against alcohol_dependence pathway. oxybuprocaine brain_cancer GAP_LOW 0.103 0.12 drospirenone Low-priority: Computational docking oxybuprocaine vs brain_cancer targets. Cross-check oxybuprocaine pharmacophore against brain_cancer pathway. oxybuprocaine intracranial_aneurysm GAP_LOW 0.103 0.12 drospirenone Low-priority: Computational docking oxybuprocaine vs intracranial_aneurysm targets. Cross-check oxybuprocaine pharmacophore against intracranial_aneurysm pathway. pazopanib atherosclerosis GAP_LOW 0.103 0.11538461538461539 acetylsalicylic_acid Low-priority: Computational docking pazopanib vs atherosclerosis targets. Cross-check pazopanib pharmacophore against atherosclerosis pathway. alitretinoin obesity GAP_LOW 0.103 0.1111111111111111 metformin Low-priority: Computational docking alitretinoin vs obesity targets. Cross-check alitretinoin pharmacophore against obesity pathway. probenecid germ_cell_cancer GAP_LOW 0.103 0.1111111111111111 topotecan Low-priority: Computational docking probenecid vs germ_cell_cancer targets. Cross-check probenecid pharmacophore against germ_cell_cancer pathway. cinchocaine vulva_cancer GAP_LOW 0.103 0.1 modafinil Low-priority: Computational docking cinchocaine vs vulva_cancer targets. Cross-check cinchocaine pharmacophore against vulva_cancer pathway. glucosamine type_1_diabetes_mellitus GAP_LOW 0.103 0.0967741935483871 olsalazine Low-priority: Computational docking glucosamine vs type_1_diabetes_mellitus targets. Cross-check glucosamine pharmacophore against type_1_diabetes_mellitus pathway. diethylpropion alopecia_areata GAP_LOW 0.103 0.09523809523809523 drospirenone Low-priority: Computational docking diethylpropion vs alopecia_areata targets. Cross-check diethylpropion pharmacophore against alopecia_areata pathway. dihydrotachysterol uterine_cancer GAP_LOW 0.103 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs uterine_cancer targets. Cross-check dihydrotachysterol pharmacophore against uterine_cancer pathway. hydromorphone penile_cancer GAP_LOW 0.103 0.09090909090909091 spironolactone Low-priority: Computational docking hydromorphone vs penile_cancer targets. Cross-check hydromorphone pharmacophore against penile_cancer pathway. flurazepam crohns_disease GAP_LOW 0.103 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs crohns_disease targets. Cross-check flurazepam pharmacophore against crohns_disease pathway. clotiazepam thyroid_cancer GAP_LOW 0.103 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs thyroid_cancer targets. Cross-check clotiazepam pharmacophore against thyroid_cancer pathway. hydromorphone esophageal_cancer GAP_LOW 0.103 0.07142857142857142 exemestane Low-priority: Computational docking hydromorphone vs esophageal_cancer targets. Cross-check hydromorphone pharmacophore against esophageal_cancer pathway. norelgestromin chronic_kidney_failure GAP_LOW 0.103 0.07142857142857142 carbinoxamine Low-priority: Computational docking norelgestromin vs chronic_kidney_failure targets. Cross-check norelgestromin pharmacophore against chronic_kidney_failure pathway. desmopressin alzheimers_disease GAP_LOW 0.103 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs alzheimers_disease targets. Cross-check desmopressin pharmacophore against alzheimers_disease pathway. desmopressin autistic_disorder GAP_LOW 0.103 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs autistic_disorder targets. Cross-check desmopressin pharmacophore against autistic_disorder pathway. desmopressin nicotine_dependence GAP_LOW 0.103 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs nicotine_dependence targets. Cross-check desmopressin pharmacophore against nicotine_dependence pathway. dextroamphetamine dilated_cardiomyopathy GAP_LOW 0.103 0.0625 trandolapril Low-priority: Computational docking dextroamphetamine vs dilated_cardiomyopathy targets. Cross-check dextroamphetamine pharmacophore against dilated_cardiomyopathy pathway. topotecan alcohol_dependence GAP_LOW 0.103 0.0625 ethylmorphine Low-priority: Computational docking topotecan vs alcohol_dependence targets. Cross-check topotecan pharmacophore against alcohol_dependence pathway. adinazolam kidney_cancer GAP_LOW 0.103 0.058823529411764705 levorphanol Low-priority: Computational docking adinazolam vs kidney_cancer targets. Cross-check adinazolam pharmacophore against kidney_cancer pathway. lenalidomide nephrolithiasis GAP_LOW 0.103 0.058823529411764705 sorafenib Low-priority: Computational docking lenalidomide vs nephrolithiasis targets. Cross-check lenalidomide pharmacophore against nephrolithiasis pathway. zafirlukast germ_cell_cancer GAP_LOW 0.103 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs germ_cell_cancer targets. Cross-check zafirlukast pharmacophore against germ_cell_cancer pathway. medroxyprogesterone_acetate atherosclerosis GAP_LOW 0.103 0.05 acetylsalicylic_acid Low-priority: Computational docking medroxyprogesterone_acetate vs atherosclerosis targets. Cross-check medroxyprogesterone_acetate pharmacophore against atherosclerosis pathway. dyphylline lung_cancer GAP_LOW 0.103 0.047619047619047616 lamivudine Low-priority: Computational docking dyphylline vs lung_cancer targets. Cross-check dyphylline pharmacophore against lung_cancer pathway. allylestrenol atherosclerosis GAP_LOW 0.103 0.045454545454545456 acetylsalicylic_acid Low-priority: Computational docking allylestrenol vs atherosclerosis targets. Cross-check allylestrenol pharmacophore against atherosclerosis pathway. proparacaine brain_cancer GAP_LOW 0.103 0.045454545454545456 levorphanol Low-priority: Computational docking proparacaine vs brain_cancer targets. Cross-check proparacaine pharmacophore against brain_cancer pathway. bromfenac idiopathic_pulmonary_fibrosis GAP_HIGH 0.1029 0.2413793103448276 bezafibrate High-priority: Binding assay bromfenac→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to bezafibrate (Jaccard=0.24) acetylsalicylic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.1029 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid urinary_bladder_cancer GAP_HIGH 0.1029 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) olsalazine azoospermia GAP_HIGH 0.1029 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in azoospermia cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) pazopanib obesity GAP_HIGH 0.1029 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in obesity cell model. Expected: similar to naloxone (Jaccard=0.20) l-dopa esophageal_cancer GAP_HIGH 0.1029 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in esophageal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.19) ketoprofen muscle_cancer GAP_HIGH 0.1029 0.18181818181818182 thalidomide High-priority: Binding assay ketoprofen→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) floctafenine polycystic_ovary_syndrome GAP_HIGH 0.1029 0.17647058823529413 tiaprofenic_acid High-priority: Binding assay floctafenine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.18) methamphetamine thyroid_cancer GAP_HIGH 0.1029 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in thyroid_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) s-adenosylmethionine polycystic_ovary_syndrome GAP_HIGH 0.1029 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to lamivudine (Jaccard=0.17) crizotinib breast_cancer GAP_HIGH 0.1029 0.16666666666666666 afatinib High-priority: Binding assay crizotinib→?; validate in breast_cancer cell model. Expected: similar to afatinib (Jaccard=0.17) crizotinib schizophrenia GAP_HIGH 0.1029 0.16666666666666666 afatinib High-priority: Binding assay crizotinib→?; validate in schizophrenia cell model. Expected: similar to afatinib (Jaccard=0.17) folic_acid hepatitis_b GAP_HIGH 0.1029 0.16666666666666666 pentostatin High-priority: Binding assay folic_acid→?; validate in hepatitis_b cell model. Expected: similar to pentostatin (Jaccard=0.17) tetrahydrofolic_acid hepatitis_b GAP_HIGH 0.1029 0.16666666666666666 pentostatin High-priority: Binding assay tetrahydrofolic_acid→?; validate in hepatitis_b cell model. Expected: similar to pentostatin (Jaccard=0.17) procaine malignant_mesothelioma GAP_HIGH 0.1029 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in malignant_mesothelioma cell model. Expected: similar to modafinil (Jaccard=0.16) afatinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.1029 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) floctafenine sclerosing_cholangitis GAP_HIGH 0.1029 0.15789473684210525 salsalate High-priority: Binding assay floctafenine→?; validate in sclerosing_cholangitis cell model. Expected: similar to salsalate (Jaccard=0.16) diclofenac ocular_cancer GAP_HIGH 0.1029 0.15384615384615385 epinephrine High-priority: Binding assay diclofenac→?; validate in ocular_cancer cell model. Expected: similar to epinephrine (Jaccard=0.15) ketorolac prostate_cancer GAP_LOW 0.1029 0.14285714285714285 diphemanil_methylsulfate Low-priority: Computational docking ketorolac vs prostate_cancer targets. Cross-check ketorolac pharmacophore against prostate_cancer pathway. dextroamphetamine gilles_de_la_tourette_syndrome GAP_LOW 0.1029 0.13043478260869565 trimipramine Low-priority: Computational docking dextroamphetamine vs gilles_de_la_tourette_syndrome targets. Cross-check dextroamphetamine pharmacophore against gilles_de_la_tourette_syndrome pathway. epirubicin glaucoma GAP_LOW 0.1029 0.125 methacholine Low-priority: Computational docking epirubicin vs glaucoma targets. Cross-check epirubicin pharmacophore against glaucoma pathway. levonorgestrel endogenous_depression GAP_LOW 0.1029 0.125 bifonazole Low-priority: Computational docking levonorgestrel vs endogenous_depression targets. Cross-check levonorgestrel pharmacophore against endogenous_depression pathway. diphenidol glaucoma GAP_LOW 0.1029 0.1111111111111111 metaraminol Low-priority: Computational docking diphenidol vs glaucoma targets. Cross-check diphenidol pharmacophore against glaucoma pathway. terbutaline azoospermia GAP_LOW 0.1029 0.1111111111111111 indecainide Low-priority: Computational docking terbutaline vs azoospermia targets. Cross-check terbutaline pharmacophore against azoospermia pathway. phenindione glaucoma GAP_LOW 0.1029 0.10714285714285714 pseudoephedrine Low-priority: Computational docking phenindione vs glaucoma targets. Cross-check phenindione pharmacophore against glaucoma pathway. alprazolam peripheral_nervous_system_neoplasm GAP_LOW 0.1029 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs peripheral_nervous_system_neoplasm targets. Cross-check alprazolam pharmacophore against peripheral_nervous_system_neoplasm pathway. norelgestromin amyotrophic_lateral_sclerosis GAP_LOW 0.1029 0.1 hydromorphone Low-priority: Computational docking norelgestromin vs amyotrophic_lateral_sclerosis targets. Cross-check norelgestromin pharmacophore against amyotrophic_lateral_sclerosis pathway. sulfamethizole membranous_glomerulonephritis GAP_LOW 0.1029 0.1 metolazone Low-priority: Computational docking sulfamethizole vs membranous_glomerulonephritis targets. Cross-check sulfamethizole pharmacophore against membranous_glomerulonephritis pathway. dihydrotachysterol sarcoma GAP_LOW 0.1029 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs sarcoma targets. Cross-check dihydrotachysterol pharmacophore against sarcoma pathway. furosemide penile_cancer GAP_LOW 0.1029 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs penile_cancer targets. Cross-check furosemide pharmacophore against penile_cancer pathway. furosemide azoospermia GAP_LOW 0.1029 0.08571428571428572 fenoprofen Low-priority: Computational docking furosemide vs azoospermia targets. Cross-check furosemide pharmacophore against azoospermia pathway. ketorolac lymphatic_system_cancer GAP_LOW 0.1029 0.08333333333333333 vindesine Low-priority: Computational docking ketorolac vs lymphatic_system_cancer targets. Cross-check ketorolac pharmacophore against lymphatic_system_cancer pathway. indomethacin asthma GAP_LOW 0.1029 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs asthma targets. Cross-check indomethacin pharmacophore against asthma pathway. lenalidomide crohns_disease GAP_LOW 0.1029 0.07692307692307693 phenylpropanolamine Low-priority: Computational docking lenalidomide vs crohns_disease targets. Cross-check lenalidomide pharmacophore against crohns_disease pathway. tolterodine alcohol_dependence GAP_LOW 0.1029 0.0625 temazepam Low-priority: Computational docking tolterodine vs alcohol_dependence targets. Cross-check tolterodine pharmacophore against alcohol_dependence pathway. sulfapyridine bone_cancer GAP_LOW 0.1029 0.045454545454545456 clodronate Low-priority: Computational docking sulfapyridine vs bone_cancer targets. Cross-check sulfapyridine pharmacophore against bone_cancer pathway. desogestrel atherosclerosis GAP_LOW 0.1029 0.041666666666666664 acetylsalicylic_acid Low-priority: Computational docking desogestrel vs atherosclerosis targets. Cross-check desogestrel pharmacophore against atherosclerosis pathway. droperidol atherosclerosis GAP_LOW 0.1029 0.04 phenacemide Low-priority: Computational docking droperidol vs atherosclerosis targets. Cross-check droperidol pharmacophore against atherosclerosis pathway. diclofenamide atherosclerosis GAP_LOW 0.1029 0.02857142857142857 fenoprofen Low-priority: Computational docking diclofenamide vs atherosclerosis targets. Cross-check diclofenamide pharmacophore against atherosclerosis pathway. l-glutamine lymphatic_system_cancer GAP_LOW 0.1029 0.02197802197802198 riboflavin Low-priority: Computational docking l-glutamine vs lymphatic_system_cancer targets. Cross-check l-glutamine pharmacophore against lymphatic_system_cancer pathway. warfarin idiopathic_pulmonary_fibrosis GAP_HIGH 0.1028 0.26666666666666666 atomoxetine High-priority: Binding assay warfarin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.27) triflupromazine vascular_cancer GAP_HIGH 0.1028 0.25 carbamazepine High-priority: Binding assay triflupromazine→?; validate in vascular_cancer cell model. Expected: similar to carbamazepine (Jaccard=0.25) cyclizine salivary_gland_cancer GAP_HIGH 0.1028 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) s-adenosylmethionine vitiligo GAP_HIGH 0.1028 0.16981132075471697 lamivudine High-priority: Binding assay s-adenosylmethionine→?; validate in vitiligo cell model. Expected: similar to lamivudine (Jaccard=0.17) l-histidine duodenum_cancer GAP_HIGH 0.1028 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in duodenum_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) l-histidine gallbladder_cancer GAP_HIGH 0.1028 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in gallbladder_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) ketorolac thyroid_cancer GAP_HIGH 0.1028 0.15384615384615385 clonidine High-priority: Binding assay ketorolac→?; validate in thyroid_cancer cell model. Expected: similar to clonidine (Jaccard=0.15) teniposide idiopathic_pulmonary_fibrosis GAP_LOW 0.1028 0.14285714285714285 trovafloxacin Low-priority: Computational docking teniposide vs idiopathic_pulmonary_fibrosis targets. Cross-check teniposide pharmacophore against idiopathic_pulmonary_fibrosis pathway. sulfamethizole testicular_cancer GAP_LOW 0.1028 0.13333333333333333 etoricoxib Low-priority: Computational docking sulfamethizole vs testicular_cancer targets. Cross-check sulfamethizole pharmacophore against testicular_cancer pathway. oxybuprocaine glaucoma GAP_LOW 0.1028 0.11764705882352941 metaraminol Low-priority: Computational docking oxybuprocaine vs glaucoma targets. Cross-check oxybuprocaine pharmacophore against glaucoma pathway. ramipril head_and_neck_cancer GAP_LOW 0.1028 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs head_and_neck_cancer targets. Cross-check ramipril pharmacophore against head_and_neck_cancer pathway. ramipril malignant_glioma GAP_LOW 0.1028 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs malignant_glioma targets. Cross-check ramipril pharmacophore against malignant_glioma pathway. aspartame esophageal_cancer GAP_LOW 0.1028 0.09090909090909091 voacamine Low-priority: Computational docking aspartame vs esophageal_cancer targets. Cross-check aspartame pharmacophore against esophageal_cancer pathway. regadenoson ankylosing_spondylitis GAP_LOW 0.1028 0.08333333333333333 tetrahydrofolic_acid Low-priority: Computational docking regadenoson vs ankylosing_spondylitis targets. Cross-check regadenoson pharmacophore against ankylosing_spondylitis pathway. pemetrexed type_1_diabetes_mellitus GAP_LOW 0.1028 0.07692307692307693 olsalazine Low-priority: Computational docking pemetrexed vs type_1_diabetes_mellitus targets. Cross-check pemetrexed pharmacophore against type_1_diabetes_mellitus pathway. diclofenamide melanoma GAP_LOW 0.1028 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs melanoma targets. Cross-check diclofenamide pharmacophore against melanoma pathway. spironolactone leprosy GAP_LOW 0.1028 0.07142857142857142 menadione Low-priority: Computational docking spironolactone vs leprosy targets. Cross-check spironolactone pharmacophore against leprosy pathway. cytarabine restless_legs_syndrome GAP_LOW 0.1028 0.06666666666666667 chloroprocaine Low-priority: Computational docking cytarabine vs restless_legs_syndrome targets. Cross-check cytarabine pharmacophore against restless_legs_syndrome pathway. desmopressin peripheral_nervous_system_neoplasm GAP_LOW 0.1028 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs peripheral_nervous_system_neoplasm targets. Cross-check desmopressin pharmacophore against peripheral_nervous_system_neoplasm pathway. flurbiprofen gestational_diabetes GAP_LOW 0.1028 0.06666666666666667 bezafibrate Low-priority: Computational docking flurbiprofen vs gestational_diabetes targets. Cross-check flurbiprofen pharmacophore against gestational_diabetes pathway. selegiline hepatitis_b GAP_LOW 0.1028 0.06666666666666667 nateglinide Low-priority: Computational docking selegiline vs hepatitis_b targets. Cross-check selegiline pharmacophore against hepatitis_b pathway. vinblastine gestational_diabetes GAP_LOW 0.1028 0.06666666666666667 gliclazide Low-priority: Computational docking vinblastine vs gestational_diabetes targets. Cross-check vinblastine pharmacophore against gestational_diabetes pathway. cinnarizine alcohol_dependence GAP_LOW 0.1028 0.0625 levorphanol Low-priority: Computational docking cinnarizine vs alcohol_dependence targets. Cross-check cinnarizine pharmacophore against alcohol_dependence pathway. methamphetamine dilated_cardiomyopathy GAP_LOW 0.1028 0.0625 trandolapril Low-priority: Computational docking methamphetamine vs dilated_cardiomyopathy targets. Cross-check methamphetamine pharmacophore against dilated_cardiomyopathy pathway. salsalate leprosy GAP_LOW 0.1028 0.0625 sulfapyridine Low-priority: Computational docking salsalate vs leprosy targets. Cross-check salsalate pharmacophore against leprosy pathway. aciclovir thyroid_cancer GAP_LOW 0.1028 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs thyroid_cancer targets. Cross-check aciclovir pharmacophore against thyroid_cancer pathway. desmopressin penile_cancer GAP_LOW 0.1028 0.043478260869565216 prednisone Low-priority: Computational docking desmopressin vs penile_cancer targets. Cross-check desmopressin pharmacophore against penile_cancer pathway. ribavirin malaria GAP_LOW 0.1028 0.043478260869565216 caffeine Low-priority: Computational docking ribavirin vs malaria targets. Cross-check ribavirin pharmacophore against malaria pathway. phenprocoumon leprosy GAP_LOW 0.1028 0.02127659574468085 phensuximide Low-priority: Computational docking phenprocoumon vs leprosy targets. Cross-check phenprocoumon pharmacophore against leprosy pathway. s-adenosylmethionine dilated_cardiomyopathy GAP_LOW 0.1028 0.0196078431372549 milrinone Low-priority: Computational docking s-adenosylmethionine vs dilated_cardiomyopathy targets. Cross-check s-adenosylmethionine pharmacophore against dilated_cardiomyopathy pathway. acetic_acid azoospermia GAP_LOW 0.1028 0.0 phenylbutazone Low-priority: Computational docking acetic_acid vs azoospermia targets. Cross-check acetic_acid pharmacophore against azoospermia pathway. adenosine_triphosphate gestational_diabetes GAP_LOW 0.1028 0.0 tolazamide Low-priority: Computational docking adenosine_triphosphate vs gestational_diabetes targets. Cross-check adenosine_triphosphate pharmacophore against gestational_diabetes pathway. diclofenac bone_cancer GAP_LOW 0.1028 0.0 ibandronate Low-priority: Computational docking diclofenac vs bone_cancer targets. Cross-check diclofenac pharmacophore against bone_cancer pathway. ethylmorphine bone_cancer GAP_LOW 0.1028 0.0 ibandronate Low-priority: Computational docking ethylmorphine vs bone_cancer targets. Cross-check ethylmorphine pharmacophore against bone_cancer pathway. ethylmorphine gestational_diabetes GAP_LOW 0.1028 0.0 tolazamide Low-priority: Computational docking ethylmorphine vs gestational_diabetes targets. Cross-check ethylmorphine pharmacophore against gestational_diabetes pathway. hydromorphone bone_cancer GAP_LOW 0.1028 0.0 ibandronate Low-priority: Computational docking hydromorphone vs bone_cancer targets. Cross-check hydromorphone pharmacophore against bone_cancer pathway. hydromorphone gestational_diabetes GAP_LOW 0.1028 0.0 tolazamide Low-priority: Computational docking hydromorphone vs gestational_diabetes targets. Cross-check hydromorphone pharmacophore against gestational_diabetes pathway. lidocaine bone_cancer GAP_LOW 0.1028 0.0 ibandronate Low-priority: Computational docking lidocaine vs bone_cancer targets. Cross-check lidocaine pharmacophore against bone_cancer pathway. practolol bone_cancer GAP_LOW 0.1028 0.0 ibandronate Low-priority: Computational docking practolol vs bone_cancer targets. Cross-check practolol pharmacophore against bone_cancer pathway. l-tyrosine malignant_mesothelioma GAP_HIGH 0.1027 0.23333333333333334 melphalan High-priority: Binding assay l-tyrosine→?; validate in malignant_mesothelioma cell model. Expected: similar to melphalan (Jaccard=0.23) oxaprozin meningioma GAP_HIGH 0.1027 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.23) mazindol glaucoma GAP_HIGH 0.1027 0.2 polythiazide High-priority: Binding assay mazindol→?; validate in glaucoma cell model. Expected: similar to polythiazide (Jaccard=0.20) propafenone duodenum_cancer GAP_HIGH 0.1027 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in duodenum_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) propafenone gallbladder_cancer GAP_HIGH 0.1027 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in gallbladder_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) bevantolol pharynx_cancer GAP_HIGH 0.1027 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in pharynx_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.19) buclizine malignant_mesothelioma GAP_HIGH 0.1027 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in malignant_mesothelioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) folic_acid type_1_diabetes_mellitus GAP_HIGH 0.1027 0.18181818181818182 tioguanine High-priority: Binding assay folic_acid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.18) tetrahydrofolic_acid type_1_diabetes_mellitus GAP_HIGH 0.1027 0.18181818181818182 tioguanine High-priority: Binding assay tetrahydrofolic_acid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.18) cinnarizine pharynx_cancer GAP_HIGH 0.1027 0.17647058823529413 phenylbutazone High-priority: Binding assay cinnarizine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) adenosine_monophosphate penile_cancer GAP_LOW 0.1027 0.14754098360655737 lamivudine Low-priority: Computational docking adenosine_monophosphate vs penile_cancer targets. Cross-check adenosine_monophosphate pharmacophore against penile_cancer pathway. ketorolac mediastinal_cancer GAP_LOW 0.1027 0.14285714285714285 diphemanil_methylsulfate Low-priority: Computational docking ketorolac vs mediastinal_cancer targets. Cross-check ketorolac pharmacophore against mediastinal_cancer pathway. aceprometazine malaria GAP_LOW 0.1027 0.12 modafinil Low-priority: Computational docking aceprometazine vs malaria targets. Cross-check aceprometazine pharmacophore against malaria pathway. indapamide head_and_neck_cancer GAP_LOW 0.1027 0.1 procarbazine Low-priority: Computational docking indapamide vs head_and_neck_cancer targets. Cross-check indapamide pharmacophore against head_and_neck_cancer pathway. indapamide malignant_glioma GAP_LOW 0.1027 0.1 procarbazine Low-priority: Computational docking indapamide vs malignant_glioma targets. Cross-check indapamide pharmacophore against malignant_glioma pathway. dihydrotachysterol chronic_obstructive_pulmonary_disease GAP_LOW 0.1027 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs chronic_obstructive_pulmonary_disease targets. Cross-check dihydrotachysterol pharmacophore against chronic_obstructive_pulmonary_disease pathway. phenmetrazine focal_segmental_glomerulosclerosis GAP_LOW 0.1027 0.08333333333333333 naftifine Low-priority: Computational docking phenmetrazine vs focal_segmental_glomerulosclerosis targets. Cross-check phenmetrazine pharmacophore against focal_segmental_glomerulosclerosis pathway. quinethazone head_and_neck_cancer GAP_LOW 0.1027 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs head_and_neck_cancer targets. Cross-check quinethazone pharmacophore against head_and_neck_cancer pathway. quinethazone malignant_glioma GAP_LOW 0.1027 0.08333333333333333 alendronate Low-priority: Computational docking quinethazone vs malignant_glioma targets. Cross-check quinethazone pharmacophore against malignant_glioma pathway. milnacipran meningioma GAP_LOW 0.1027 0.08 methadone Low-priority: Computational docking milnacipran vs meningioma targets. Cross-check milnacipran pharmacophore against meningioma pathway. indomethacin allergic_rhinitis GAP_LOW 0.1027 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs allergic_rhinitis targets. Cross-check indomethacin pharmacophore against allergic_rhinitis pathway. sulfapyridine acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.07692307692307693 lisinopril Low-priority: Computational docking sulfapyridine vs acquired_immunodeficiency_syndrome targets. Cross-check sulfapyridine pharmacophore against acquired_immunodeficiency_syndrome pathway. desmopressin attention_deficit_hyperactivity_disorder GAP_LOW 0.1027 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs attention_deficit_hyperactivity_disorder targets. Cross-check desmopressin pharmacophore against attention_deficit_hyperactivity_disorder pathway. furosemide esophageal_cancer GAP_LOW 0.1027 0.06666666666666667 melphalan Low-priority: Computational docking furosemide vs esophageal_cancer targets. Cross-check furosemide pharmacophore against esophageal_cancer pathway. tolmetin hepatitis_b GAP_LOW 0.1027 0.06451612903225806 glucosamine Low-priority: Computational docking tolmetin vs hepatitis_b targets. Cross-check tolmetin pharmacophore against hepatitis_b pathway. stanozolol glaucoma GAP_LOW 0.1027 0.0625 l-dopa Low-priority: Computational docking stanozolol vs glaucoma targets. Cross-check stanozolol pharmacophore against glaucoma pathway. doxorubicin bone_cancer GAP_LOW 0.1027 0.05263157894736842 tetrahydrofolic_acid Low-priority: Computational docking doxorubicin vs bone_cancer targets. Cross-check doxorubicin pharmacophore against bone_cancer pathway. clofarabine malaria GAP_LOW 0.1027 0.045454545454545456 caffeine Low-priority: Computational docking clofarabine vs malaria targets. Cross-check clofarabine pharmacophore against malaria pathway. metolazone type_1_diabetes_mellitus GAP_LOW 0.1027 0.045454545454545456 sulfapyridine Low-priority: Computational docking metolazone vs type_1_diabetes_mellitus targets. Cross-check metolazone pharmacophore against type_1_diabetes_mellitus pathway. isoetarine focal_segmental_glomerulosclerosis GAP_LOW 0.1027 0.043478260869565216 tamsulosin Low-priority: Computational docking isoetarine vs focal_segmental_glomerulosclerosis targets. Cross-check isoetarine pharmacophore against focal_segmental_glomerulosclerosis pathway. oxcarbazepine gestational_diabetes GAP_LOW 0.1027 0.038461538461538464 bezafibrate Low-priority: Computational docking oxcarbazepine vs gestational_diabetes targets. Cross-check oxcarbazepine pharmacophore against gestational_diabetes pathway. pargyline leprosy GAP_LOW 0.1027 0.03225806451612903 sulfapyridine Low-priority: Computational docking pargyline vs leprosy targets. Cross-check pargyline pharmacophore against leprosy pathway. alprazolam dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking alprazolam vs dilated_cardiomyopathy targets. Cross-check alprazolam pharmacophore against dilated_cardiomyopathy pathway. azacitidine dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking azacitidine vs dilated_cardiomyopathy targets. Cross-check azacitidine pharmacophore against dilated_cardiomyopathy pathway. calcitriol acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking calcitriol vs acquired_immunodeficiency_syndrome targets. Cross-check calcitriol pharmacophore against acquired_immunodeficiency_syndrome pathway. conjugated_estrogens acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking conjugated_estrogens vs acquired_immunodeficiency_syndrome targets. Cross-check conjugated_estrogens pharmacophore against acquired_immunodeficiency_syndrome pathway. cyproterone_acetate leprosy GAP_LOW 0.1027 0.0 sulfapyridine Low-priority: Computational docking cyproterone_acetate vs leprosy targets. Cross-check cyproterone_acetate pharmacophore against leprosy pathway. diclofenamide dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking diclofenamide vs dilated_cardiomyopathy targets. Cross-check diclofenamide pharmacophore against dilated_cardiomyopathy pathway. droperidol dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking droperidol vs dilated_cardiomyopathy targets. Cross-check droperidol pharmacophore against dilated_cardiomyopathy pathway. ergocalciferol acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking ergocalciferol vs acquired_immunodeficiency_syndrome targets. Cross-check ergocalciferol pharmacophore against acquired_immunodeficiency_syndrome pathway. fluspirilene dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking fluspirilene vs dilated_cardiomyopathy targets. Cross-check fluspirilene pharmacophore against dilated_cardiomyopathy pathway. furosemide dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking furosemide vs dilated_cardiomyopathy targets. Cross-check furosemide pharmacophore against dilated_cardiomyopathy pathway. hydrochlorothiazide acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking hydrochlorothiazide vs acquired_immunodeficiency_syndrome targets. Cross-check hydrochlorothiazide pharmacophore against acquired_immunodeficiency_syndrome pathway. metolazone dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking metolazone vs dilated_cardiomyopathy targets. Cross-check metolazone pharmacophore against dilated_cardiomyopathy pathway. regadenoson dilated_cardiomyopathy GAP_LOW 0.1027 0.0 hydrocortisone Low-priority: Computational docking regadenoson vs dilated_cardiomyopathy targets. Cross-check regadenoson pharmacophore against dilated_cardiomyopathy pathway. remifentanil acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking remifentanil vs acquired_immunodeficiency_syndrome targets. Cross-check remifentanil pharmacophore against acquired_immunodeficiency_syndrome pathway. tropicamide acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking tropicamide vs acquired_immunodeficiency_syndrome targets. Cross-check tropicamide pharmacophore against acquired_immunodeficiency_syndrome pathway. vitamin_a acquired_immunodeficiency_syndrome GAP_LOW 0.1027 0.0 mitiglinide Low-priority: Computational docking vitamin_a vs acquired_immunodeficiency_syndrome targets. Cross-check vitamin_a pharmacophore against acquired_immunodeficiency_syndrome pathway. pseudoephedrine pharynx_cancer GAP_HIGH 0.1026 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) propranolol muscle_cancer GAP_HIGH 0.1026 0.25 butenafine High-priority: Binding assay propranolol→?; validate in muscle_cancer cell model. Expected: similar to butenafine (Jaccard=0.25) triflupromazine systemic_scleroderma GAP_HIGH 0.1026 0.25 mianserin High-priority: Binding assay triflupromazine→?; validate in systemic_scleroderma cell model. Expected: similar to mianserin (Jaccard=0.25) methdilazine malignant_mesothelioma GAP_HIGH 0.1026 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.24) desipramine melanoma GAP_HIGH 0.1026 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.22) cyclizine ocular_cancer GAP_HIGH 0.1026 0.20689655172413793 modafinil High-priority: Binding assay cyclizine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) acetophenazine melanoma GAP_HIGH 0.1026 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in melanoma cell model. Expected: similar to atropine (Jaccard=0.20) indecainide rectum_cancer GAP_HIGH 0.1026 0.2 thioridazine High-priority: Binding assay indecainide→?; validate in rectum_cancer cell model. Expected: similar to thioridazine (Jaccard=0.20) mefenamic_acid hematologic_cancer GAP_HIGH 0.1026 0.2 salicylic_acid High-priority: Binding assay mefenamic_acid→?; validate in hematologic_cancer cell model. Expected: similar to salicylic_acid (Jaccard=0.20) phenelzine prostate_cancer GAP_HIGH 0.1026 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) propafenone thyroid_cancer GAP_HIGH 0.1026 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) flurandrenolide panic_disorder GAP_HIGH 0.1026 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) afatinib asthma GAP_HIGH 0.1026 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in asthma cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib panic_disorder GAP_HIGH 0.1026 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in panic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) methylprednisolone membranous_glomerulonephritis GAP_HIGH 0.1026 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to floctafenine (Jaccard=0.15) pazopanib refractive_error GAP_HIGH 0.1026 0.15384615384615385 dinoprost_tromethamine High-priority: Binding assay pazopanib→?; validate in refractive_error cell model. Expected: similar to dinoprost_tromethamine (Jaccard=0.15) clodronate azoospermia GAP_LOW 0.1026 0.14285714285714285 ritodrine Low-priority: Computational docking clodronate vs azoospermia targets. Cross-check clodronate pharmacophore against azoospermia pathway. adenine narcolepsy GAP_LOW 0.1026 0.125 propericiazine Low-priority: Computational docking adenine vs narcolepsy targets. Cross-check adenine pharmacophore against narcolepsy pathway. indapamide melanoma GAP_LOW 0.1026 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs melanoma targets. Cross-check indapamide pharmacophore against melanoma pathway. ramipril nephrolithiasis GAP_LOW 0.1026 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs nephrolithiasis targets. Cross-check ramipril pharmacophore against nephrolithiasis pathway. cinnarizine malaria GAP_LOW 0.1026 0.1111111111111111 modafinil Low-priority: Computational docking cinnarizine vs malaria targets. Cross-check cinnarizine pharmacophore against malaria pathway. enalapril penile_cancer GAP_LOW 0.1026 0.1 doxorubicin Low-priority: Computational docking enalapril vs penile_cancer targets. Cross-check enalapril pharmacophore against penile_cancer pathway. tretinoin asthma GAP_LOW 0.1026 0.1 dopamine Low-priority: Computational docking tretinoin vs asthma targets. Cross-check tretinoin pharmacophore against asthma pathway. flurazepam prostate_cancer GAP_LOW 0.1026 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs prostate_cancer targets. Cross-check flurazepam pharmacophore against prostate_cancer pathway. dihydrotachysterol epilepsy_syndrome GAP_LOW 0.1026 0.08333333333333333 ketorolac Low-priority: Computational docking dihydrotachysterol vs epilepsy_syndrome targets. Cross-check dihydrotachysterol pharmacophore against epilepsy_syndrome pathway. allylestrenol chronic_kidney_failure GAP_LOW 0.1026 0.07692307692307693 carbinoxamine Low-priority: Computational docking allylestrenol vs chronic_kidney_failure targets. Cross-check allylestrenol pharmacophore against chronic_kidney_failure pathway. clotiazepam sarcoma GAP_LOW 0.1026 0.07692307692307693 practolol Low-priority: Computational docking clotiazepam vs sarcoma targets. Cross-check clotiazepam pharmacophore against sarcoma pathway. furosemide kidney_cancer GAP_LOW 0.1026 0.07692307692307693 tolazamide Low-priority: Computational docking furosemide vs kidney_cancer targets. Cross-check furosemide pharmacophore against kidney_cancer pathway. clocortolone leprosy GAP_LOW 0.1026 0.07142857142857142 sulfapyridine Low-priority: Computational docking clocortolone vs leprosy targets. Cross-check clocortolone pharmacophore against leprosy pathway. difluprednate leprosy GAP_LOW 0.1026 0.07142857142857142 sulfapyridine Low-priority: Computational docking difluprednate vs leprosy targets. Cross-check difluprednate pharmacophore against leprosy pathway. telbivudine migraine GAP_LOW 0.1026 0.07142857142857142 chloroprocaine Low-priority: Computational docking telbivudine vs migraine targets. Cross-check telbivudine pharmacophore against migraine pathway. beclomethasone leprosy GAP_LOW 0.1026 0.06896551724137931 sulfapyridine Low-priority: Computational docking beclomethasone vs leprosy targets. Cross-check beclomethasone pharmacophore against leprosy pathway. alitretinoin intracranial_aneurysm GAP_LOW 0.1026 0.06666666666666667 dexamethasone Low-priority: Computational docking alitretinoin vs intracranial_aneurysm targets. Cross-check alitretinoin pharmacophore against intracranial_aneurysm pathway. cinnarizine dilated_cardiomyopathy GAP_LOW 0.1026 0.06666666666666667 medrysone Low-priority: Computational docking cinnarizine vs dilated_cardiomyopathy targets. Cross-check cinnarizine pharmacophore against dilated_cardiomyopathy pathway. desmopressin malignant_mesothelioma GAP_LOW 0.1026 0.043478260869565216 prednisone Low-priority: Computational docking desmopressin vs malignant_mesothelioma targets. Cross-check desmopressin pharmacophore against malignant_mesothelioma pathway. fluspirilene atherosclerosis GAP_LOW 0.1026 0.04 phenacemide Low-priority: Computational docking fluspirilene vs atherosclerosis targets. Cross-check fluspirilene pharmacophore against atherosclerosis pathway. dasatinib gilles_de_la_tourette_syndrome GAP_LOW 0.1026 0.038461538461538464 loperamide Low-priority: Computational docking dasatinib vs gilles_de_la_tourette_syndrome targets. Cross-check dasatinib pharmacophore against gilles_de_la_tourette_syndrome pathway. imatinib hepatitis_b GAP_LOW 0.1026 0.02631578947368421 nateglinide Low-priority: Computational docking imatinib vs hepatitis_b targets. Cross-check imatinib pharmacophore against hepatitis_b pathway. antipyrine larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking antipyrine vs larynx_cancer targets. Cross-check antipyrine pharmacophore against larynx_cancer pathway. dapsone lymphatic_system_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking dapsone vs lymphatic_system_cancer targets. Cross-check dapsone pharmacophore against lymphatic_system_cancer pathway. dyphylline larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking dyphylline vs larynx_cancer targets. Cross-check dyphylline pharmacophore against larynx_cancer pathway. emtricitabine atherosclerosis GAP_LOW 0.1026 0.0 fenoprofen Low-priority: Computational docking emtricitabine vs atherosclerosis targets. Cross-check emtricitabine pharmacophore against atherosclerosis pathway. enalapril alcohol_dependence GAP_LOW 0.1026 0.0 midazolam Low-priority: Computational docking enalapril vs alcohol_dependence targets. Cross-check enalapril pharmacophore against alcohol_dependence pathway. ephedrine lymphatic_system_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking ephedrine vs lymphatic_system_cancer targets. Cross-check ephedrine pharmacophore against lymphatic_system_cancer pathway. fenbufen larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking fenbufen vs larynx_cancer targets. Cross-check fenbufen pharmacophore against larynx_cancer pathway. flavin_adenine_dinucleotide atherosclerosis GAP_LOW 0.1026 0.0 fenoprofen Low-priority: Computational docking flavin_adenine_dinucleotide vs atherosclerosis targets. Cross-check flavin_adenine_dinucleotide pharmacophore against atherosclerosis pathway. ketazolam larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking ketazolam vs larynx_cancer targets. Cross-check ketazolam pharmacophore against larynx_cancer pathway. melatonin larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking melatonin vs larynx_cancer targets. Cross-check melatonin pharmacophore against larynx_cancer pathway. methsuximide larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking methsuximide vs larynx_cancer targets. Cross-check methsuximide pharmacophore against larynx_cancer pathway. midodrine larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking midodrine vs larynx_cancer targets. Cross-check midodrine pharmacophore against larynx_cancer pathway. pimozide alcohol_dependence GAP_LOW 0.1026 0.0 midazolam Low-priority: Computational docking pimozide vs alcohol_dependence targets. Cross-check pimozide pharmacophore against alcohol_dependence pathway. pirbuterol alcohol_dependence GAP_LOW 0.1026 0.0 midazolam Low-priority: Computational docking pirbuterol vs alcohol_dependence targets. Cross-check pirbuterol pharmacophore against alcohol_dependence pathway. prazepam larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking prazepam vs larynx_cancer targets. Cross-check prazepam pharmacophore against larynx_cancer pathway. salbutamol alcohol_dependence GAP_LOW 0.1026 0.0 midazolam Low-priority: Computational docking salbutamol vs alcohol_dependence targets. Cross-check salbutamol pharmacophore against alcohol_dependence pathway. theophylline larynx_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking theophylline vs larynx_cancer targets. Cross-check theophylline pharmacophore against larynx_cancer pathway. tolbutamide lymphatic_system_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking tolbutamide vs lymphatic_system_cancer targets. Cross-check tolbutamide pharmacophore against lymphatic_system_cancer pathway. travoprost lymphatic_system_cancer GAP_LOW 0.1026 0.0 vinblastine Low-priority: Computational docking travoprost vs lymphatic_system_cancer targets. Cross-check travoprost pharmacophore against lymphatic_system_cancer pathway. zidovudine alcohol_dependence GAP_LOW 0.1026 0.0 midazolam Low-priority: Computational docking zidovudine vs alcohol_dependence targets. Cross-check zidovudine pharmacophore against alcohol_dependence pathway. vismodegib testicular_cancer GAP_HIGH 0.1025 0.19047619047619047 droxidopa High-priority: Binding assay vismodegib→?; validate in testicular_cancer cell model. Expected: similar to droxidopa (Jaccard=0.19) flurandrenolide conduct_disorder GAP_HIGH 0.1025 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) bromodiphenhydramine meningioma GAP_HIGH 0.1025 0.16666666666666666 methadone High-priority: Binding assay bromodiphenhydramine→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.17) afatinib conduct_disorder GAP_HIGH 0.1025 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in conduct_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib hypertension GAP_HIGH 0.1025 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in hypertension cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) diclofenac peripheral_nervous_system_neoplasm GAP_HIGH 0.1025 0.15384615384615385 epinephrine High-priority: Binding assay diclofenac→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to epinephrine (Jaccard=0.15) chloroprocaine germ_cell_cancer GAP_LOW 0.1025 0.14285714285714285 drospirenone Low-priority: Computational docking chloroprocaine vs germ_cell_cancer targets. Cross-check chloroprocaine pharmacophore against germ_cell_cancer pathway. ketorolac thymus_cancer GAP_LOW 0.1025 0.14285714285714285 diphemanil_methylsulfate Low-priority: Computational docking ketorolac vs thymus_cancer targets. Cross-check ketorolac pharmacophore against thymus_cancer pathway. adenosine_triphosphate mediastinal_cancer GAP_LOW 0.1025 0.1388888888888889 entecavir Low-priority: Computational docking adenosine_triphosphate vs mediastinal_cancer targets. Cross-check adenosine_triphosphate pharmacophore against mediastinal_cancer pathway. adenine alzheimers_disease GAP_LOW 0.1025 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs alzheimers_disease targets. Cross-check adenine pharmacophore against alzheimers_disease pathway. adenine autistic_disorder GAP_LOW 0.1025 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs autistic_disorder targets. Cross-check adenine pharmacophore against autistic_disorder pathway. adenine nicotine_dependence GAP_LOW 0.1025 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs nicotine_dependence targets. Cross-check adenine pharmacophore against nicotine_dependence pathway. adenine parkinsons_disease GAP_LOW 0.1025 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs parkinsons_disease targets. Cross-check adenine pharmacophore against parkinsons_disease pathway. hydromorphone sarcoma GAP_LOW 0.1025 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs sarcoma targets. Cross-check hydromorphone pharmacophore against sarcoma pathway. tretinoin allergic_rhinitis GAP_LOW 0.1025 0.1 dopamine Low-priority: Computational docking tretinoin vs allergic_rhinitis targets. Cross-check tretinoin pharmacophore against allergic_rhinitis pathway. tretinoin atopic_dermatitis GAP_LOW 0.1025 0.1 dopamine Low-priority: Computational docking tretinoin vs atopic_dermatitis targets. Cross-check tretinoin pharmacophore against atopic_dermatitis pathway. danazol azoospermia GAP_LOW 0.1025 0.09090909090909091 acetylsalicylic_acid Low-priority: Computational docking danazol vs azoospermia targets. Cross-check danazol pharmacophore against azoospermia pathway. methyltestosterone glaucoma GAP_LOW 0.1025 0.09090909090909091 dinoprost_tromethamine Low-priority: Computational docking methyltestosterone vs glaucoma targets. Cross-check methyltestosterone pharmacophore against glaucoma pathway. epirubicin acquired_immunodeficiency_syndrome GAP_LOW 0.1025 0.07692307692307693 entecavir Low-priority: Computational docking epirubicin vs acquired_immunodeficiency_syndrome targets. Cross-check epirubicin pharmacophore against acquired_immunodeficiency_syndrome pathway. indomethacin ovarian_cancer GAP_LOW 0.1025 0.07692307692307693 olsalazine Low-priority: Computational docking indomethacin vs ovarian_cancer targets. Cross-check indomethacin pharmacophore against ovarian_cancer pathway. diclofenac lymphatic_system_cancer GAP_LOW 0.1025 0.06666666666666667 glucosamine Low-priority: Computational docking diclofenac vs lymphatic_system_cancer targets. Cross-check diclofenac pharmacophore against lymphatic_system_cancer pathway. flurazepam type_1_diabetes_mellitus GAP_LOW 0.1025 0.058823529411764705 adenine Low-priority: Computational docking flurazepam vs type_1_diabetes_mellitus targets. Cross-check flurazepam pharmacophore against type_1_diabetes_mellitus pathway. aciclovir pancreatitis GAP_LOW 0.1025 0.05263157894736842 trimipramine Low-priority: Computational docking aciclovir vs pancreatitis targets. Cross-check aciclovir pharmacophore against pancreatitis pathway. orciprenaline acquired_immunodeficiency_syndrome GAP_LOW 0.1025 0.043478260869565216 vidarabine Low-priority: Computational docking orciprenaline vs acquired_immunodeficiency_syndrome targets. Cross-check orciprenaline pharmacophore against acquired_immunodeficiency_syndrome pathway. l-aspartic_acid prostate_cancer GAP_LOW 0.1025 0.0 phenylbutazone Low-priority: Computational docking l-aspartic_acid vs prostate_cancer targets. Cross-check l-aspartic_acid pharmacophore against prostate_cancer pathway. linaclotide prostate_cancer GAP_LOW 0.1025 0.0 phenylbutazone Low-priority: Computational docking linaclotide vs prostate_cancer targets. Cross-check linaclotide pharmacophore against prostate_cancer pathway. promethazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1024 0.2692307692307692 diphenhydramine High-priority: Binding assay promethazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.27) estrone pharynx_cancer GAP_HIGH 0.1024 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in pharynx_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) acetylsalicylic_acid stomach_cancer GAP_HIGH 0.1024 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in stomach_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) alimemazine penile_cancer GAP_HIGH 0.1024 0.23076923076923078 diphenylpyraline High-priority: Binding assay alimemazine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) indecainide liver_cancer GAP_HIGH 0.1024 0.2 thioridazine High-priority: Binding assay indecainide→?; validate in liver_cancer cell model. Expected: similar to thioridazine (Jaccard=0.20) phenelzine mediastinal_cancer GAP_HIGH 0.1024 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) phenelzine primary_biliary_cirrhosis GAP_HIGH 0.1024 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.20) ketoprofen urinary_bladder_cancer GAP_HIGH 0.1024 0.18181818181818182 thalidomide High-priority: Binding assay ketoprofen→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) flurandrenolide bipolar_disorder GAP_HIGH 0.1024 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) phenelzine head_and_neck_cancer GAP_HIGH 0.1024 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in head_and_neck_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) phenelzine malignant_glioma GAP_HIGH 0.1024 0.17647058823529413 alendronate High-priority: Binding assay phenelzine→?; validate in malignant_glioma cell model. Expected: similar to alendronate (Jaccard=0.18) cinnarizine gout GAP_HIGH 0.1024 0.16666666666666666 mianserin High-priority: Binding assay cinnarizine→?; validate in gout cell model. Expected: similar to mianserin (Jaccard=0.17) mitiglinide penile_cancer GAP_HIGH 0.1024 0.16666666666666666 probenecid High-priority: Binding assay mitiglinide→?; validate in penile_cancer cell model. Expected: similar to probenecid (Jaccard=0.17) afatinib allergic_rhinitis GAP_HIGH 0.1024 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib bipolar_disorder GAP_HIGH 0.1024 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in bipolar_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) phenylbutazone alcohol_dependence GAP_HIGH 0.1024 0.16 ethylmorphine High-priority: Binding assay phenylbutazone→?; validate in alcohol_dependence cell model. Expected: similar to ethylmorphine (Jaccard=0.16) floctafenine duodenum_cancer GAP_HIGH 0.1024 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in duodenum_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine gallbladder_cancer GAP_HIGH 0.1024 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in gallbladder_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine melanoma GAP_HIGH 0.1024 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in melanoma cell model. Expected: similar to fluorometholone (Jaccard=0.15) ketorolac salivary_gland_cancer GAP_HIGH 0.1024 0.15384615384615385 clonidine High-priority: Binding assay ketorolac→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.15) adenosine_triphosphate thymus_cancer GAP_LOW 0.1024 0.1388888888888889 entecavir Low-priority: Computational docking adenosine_triphosphate vs thymus_cancer targets. Cross-check adenosine_triphosphate pharmacophore against thymus_cancer pathway. adenine amyotrophic_lateral_sclerosis GAP_LOW 0.1024 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs amyotrophic_lateral_sclerosis targets. Cross-check adenine pharmacophore against amyotrophic_lateral_sclerosis pathway. adenosine_triphosphate penile_cancer GAP_LOW 0.1024 0.1282051282051282 lamivudine Low-priority: Computational docking adenosine_triphosphate vs penile_cancer targets. Cross-check adenosine_triphosphate pharmacophore against penile_cancer pathway. alitretinoin polycystic_ovary_syndrome GAP_LOW 0.1024 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs polycystic_ovary_syndrome targets. Cross-check alitretinoin pharmacophore against polycystic_ovary_syndrome pathway. alitretinoin type_2_diabetes_mellitus GAP_LOW 0.1024 0.1111111111111111 vincristine Low-priority: Computational docking alitretinoin vs type_2_diabetes_mellitus targets. Cross-check alitretinoin pharmacophore against type_2_diabetes_mellitus pathway. l-histidine atherosclerosis GAP_LOW 0.1024 0.1111111111111111 aminosalicylic_acid Low-priority: Computational docking l-histidine vs atherosclerosis targets. Cross-check l-histidine pharmacophore against atherosclerosis pathway. enalapril malignant_mesothelioma GAP_LOW 0.1024 0.1 doxorubicin Low-priority: Computational docking enalapril vs malignant_mesothelioma targets. Cross-check enalapril pharmacophore against malignant_mesothelioma pathway. tretinoin creutzfeldt-jakob_disease GAP_LOW 0.1024 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs creutzfeldt-jakob_disease targets. Cross-check tretinoin pharmacophore against creutzfeldt-jakob_disease pathway. flurazepam mediastinal_cancer GAP_LOW 0.1024 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs mediastinal_cancer targets. Cross-check flurazepam pharmacophore against mediastinal_cancer pathway. estrone leprosy GAP_LOW 0.1024 0.07142857142857142 menadione Low-priority: Computational docking estrone vs leprosy targets. Cross-check estrone pharmacophore against leprosy pathway. hydromorphone type_1_diabetes_mellitus GAP_LOW 0.1024 0.07142857142857142 exemestane Low-priority: Computational docking hydromorphone vs type_1_diabetes_mellitus targets. Cross-check hydromorphone pharmacophore against type_1_diabetes_mellitus pathway. desmopressin asthma GAP_LOW 0.1024 0.06666666666666667 stanozolol Low-priority: Computational docking desmopressin vs asthma targets. Cross-check desmopressin pharmacophore against asthma pathway. desmopressin atopic_dermatitis GAP_LOW 0.1024 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs atopic_dermatitis targets. Cross-check desmopressin pharmacophore against atopic_dermatitis pathway. desmopressin conduct_disorder GAP_LOW 0.1024 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs conduct_disorder targets. Cross-check desmopressin pharmacophore against conduct_disorder pathway. desmopressin panic_disorder GAP_LOW 0.1024 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs panic_disorder targets. Cross-check desmopressin pharmacophore against panic_disorder pathway. desmopressin schizophrenia GAP_LOW 0.1024 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs schizophrenia targets. Cross-check desmopressin pharmacophore against schizophrenia pathway. desmopressin pharynx_cancer GAP_LOW 0.1024 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs pharynx_cancer targets. Cross-check desmopressin pharmacophore against pharynx_cancer pathway. ziprasidone esophageal_cancer GAP_LOW 0.1024 0.058823529411764705 toremifene Low-priority: Computational docking ziprasidone vs esophageal_cancer targets. Cross-check ziprasidone pharmacophore against esophageal_cancer pathway. zafirlukast penile_cancer GAP_LOW 0.1024 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs penile_cancer targets. Cross-check zafirlukast pharmacophore against penile_cancer pathway. isoetarine chronic_kidney_failure GAP_LOW 0.1024 0.05263157894736842 salsalate Low-priority: Computational docking isoetarine vs chronic_kidney_failure targets. Cross-check isoetarine pharmacophore against chronic_kidney_failure pathway. ergocalciferol head_and_neck_cancer GAP_LOW 0.1024 0.05 fluoxymesterone Low-priority: Computational docking ergocalciferol vs head_and_neck_cancer targets. Cross-check ergocalciferol pharmacophore against head_and_neck_cancer pathway. phenoxybenzamine dilated_cardiomyopathy GAP_LOW 0.1024 0.05 medrysone Low-priority: Computational docking phenoxybenzamine vs dilated_cardiomyopathy targets. Cross-check phenoxybenzamine pharmacophore against dilated_cardiomyopathy pathway. cytarabine gout GAP_LOW 0.1024 0.047619047619047616 procaine Low-priority: Computational docking cytarabine vs gout targets. Cross-check cytarabine pharmacophore against gout pathway. phenindamine leprosy GAP_LOW 0.1024 0.023809523809523808 phensuximide Low-priority: Computational docking phenindamine vs leprosy targets. Cross-check phenindamine pharmacophore against leprosy pathway. conivaptan restless_legs_syndrome GAP_LOW 0.1024 0.0 flurazepam Low-priority: Computational docking conivaptan vs restless_legs_syndrome targets. Cross-check conivaptan pharmacophore against restless_legs_syndrome pathway. linaclotide mediastinal_cancer GAP_LOW 0.1024 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs mediastinal_cancer targets. Cross-check linaclotide pharmacophore against mediastinal_cancer pathway. pseudoephedrine thyroid_cancer GAP_HIGH 0.1023 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) ethopropazine malaria GAP_HIGH 0.1023 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.21) acetophenazine sclerosing_cholangitis GAP_HIGH 0.1023 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to atropine (Jaccard=0.20) pazopanib type_2_diabetes_mellitus GAP_HIGH 0.1023 0.2 naloxone High-priority: Binding assay pazopanib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to naloxone (Jaccard=0.20) phenelzine gout GAP_HIGH 0.1023 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.20) phenelzine thymus_cancer GAP_HIGH 0.1023 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) prochlorperazine melanoma GAP_HIGH 0.1023 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in melanoma cell model. Expected: similar to atropine (Jaccard=0.20) flurandrenolide endogenous_depression GAP_HIGH 0.1023 0.17647058823529413 levorphanol High-priority: Binding assay flurandrenolide→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.18) methamphetamine lung_cancer GAP_HIGH 0.1023 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in lung_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) methamphetamine rectum_cancer GAP_HIGH 0.1023 0.17647058823529413 melphalan High-priority: Binding assay methamphetamine→?; validate in rectum_cancer cell model. Expected: similar to melphalan (Jaccard=0.18) vismodegib thymus_cancer GAP_HIGH 0.1023 0.16666666666666666 linaclotide High-priority: Binding assay vismodegib→?; validate in thymus_cancer cell model. Expected: similar to linaclotide (Jaccard=0.17) procaine meningioma GAP_HIGH 0.1023 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.16) afatinib endogenous_depression GAP_HIGH 0.1023 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in endogenous_depression cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib psoriasis GAP_HIGH 0.1023 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in psoriasis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) procaine germ_cell_cancer GAP_HIGH 0.1023 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in germ_cell_cancer cell model. Expected: similar to drospirenone (Jaccard=0.15) alvimopan meningioma GAP_LOW 0.1023 0.14285714285714285 fentanyl Low-priority: Computational docking alvimopan vs meningioma targets. Cross-check alvimopan pharmacophore against meningioma pathway. lapatinib chronic_obstructive_pulmonary_disease GAP_LOW 0.1023 0.14285714285714285 medroxyprogesterone_acetate Low-priority: Computational docking lapatinib vs chronic_obstructive_pulmonary_disease targets. Cross-check lapatinib pharmacophore against chronic_obstructive_pulmonary_disease pathway. crizotinib azoospermia GAP_LOW 0.1023 0.13043478260869565 acetylsalicylic_acid Low-priority: Computational docking crizotinib vs azoospermia targets. Cross-check crizotinib pharmacophore against azoospermia pathway. butenafine esophageal_cancer GAP_LOW 0.1023 0.125 epirubicin Low-priority: Computational docking butenafine vs esophageal_cancer targets. Cross-check butenafine pharmacophore against esophageal_cancer pathway. sulfamethizole coronary_artery_disease GAP_LOW 0.1023 0.1111111111111111 eletriptan Low-priority: Computational docking sulfamethizole vs coronary_artery_disease targets. Cross-check sulfamethizole pharmacophore against coronary_artery_disease pathway. sulfamethizole narcolepsy GAP_LOW 0.1023 0.1111111111111111 meclizine Low-priority: Computational docking sulfamethizole vs narcolepsy targets. Cross-check sulfamethizole pharmacophore against narcolepsy pathway. dihydrotachysterol testicular_cancer GAP_LOW 0.1023 0.09090909090909091 pasireotide Low-priority: Computational docking dihydrotachysterol vs testicular_cancer targets. Cross-check dihydrotachysterol pharmacophore against testicular_cancer pathway. levonorgestrel azoospermia GAP_LOW 0.1023 0.09090909090909091 dienestrol Low-priority: Computational docking levonorgestrel vs azoospermia targets. Cross-check levonorgestrel pharmacophore against azoospermia pathway. mepyramine kidney_cancer GAP_LOW 0.1023 0.09090909090909091 tolbutamide Low-priority: Computational docking mepyramine vs kidney_cancer targets. Cross-check mepyramine pharmacophore against kidney_cancer pathway. flurazepam thymus_cancer GAP_LOW 0.1023 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs thymus_cancer targets. Cross-check flurazepam pharmacophore against thymus_cancer pathway. dobutamine prostate_cancer GAP_LOW 0.1023 0.07142857142857142 ifenprodil Low-priority: Computational docking dobutamine vs prostate_cancer targets. Cross-check dobutamine pharmacophore against prostate_cancer pathway. procarbazine dilated_cardiomyopathy GAP_LOW 0.1023 0.07142857142857142 trandolapril Low-priority: Computational docking procarbazine vs dilated_cardiomyopathy targets. Cross-check procarbazine pharmacophore against dilated_cardiomyopathy pathway. desmopressin allergic_rhinitis GAP_LOW 0.1023 0.06666666666666667 salicylate-sodium Low-priority: Computational docking desmopressin vs allergic_rhinitis targets. Cross-check desmopressin pharmacophore against allergic_rhinitis pathway. desmopressin bipolar_disorder GAP_LOW 0.1023 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs bipolar_disorder targets. Cross-check desmopressin pharmacophore against bipolar_disorder pathway. flurazepam celiac_disease GAP_LOW 0.1023 0.06666666666666667 anisotropine_methylbromide Low-priority: Computational docking flurazepam vs celiac_disease targets. Cross-check flurazepam pharmacophore against celiac_disease pathway. docetaxel dilated_cardiomyopathy GAP_LOW 0.1023 0.0625 drospirenone Low-priority: Computational docking docetaxel vs dilated_cardiomyopathy targets. Cross-check docetaxel pharmacophore against dilated_cardiomyopathy pathway. zuclopenthixol leprosy GAP_LOW 0.1023 0.058823529411764705 phensuximide Low-priority: Computational docking zuclopenthixol vs leprosy targets. Cross-check zuclopenthixol pharmacophore against leprosy pathway. azacitidine type_1_diabetes_mellitus GAP_LOW 0.1023 0.05555555555555555 tioguanine Low-priority: Computational docking azacitidine vs type_1_diabetes_mellitus targets. Cross-check azacitidine pharmacophore against type_1_diabetes_mellitus pathway. tamsulosin head_and_neck_cancer GAP_LOW 0.1023 0.045454545454545456 epirubicin Low-priority: Computational docking tamsulosin vs head_and_neck_cancer targets. Cross-check tamsulosin pharmacophore against head_and_neck_cancer pathway. tamsulosin malignant_glioma GAP_LOW 0.1023 0.045454545454545456 epirubicin Low-priority: Computational docking tamsulosin vs malignant_glioma targets. Cross-check tamsulosin pharmacophore against malignant_glioma pathway. bevantolol gestational_diabetes GAP_LOW 0.1023 0.04 tolbutamide Low-priority: Computational docking bevantolol vs gestational_diabetes targets. Cross-check bevantolol pharmacophore against gestational_diabetes pathway. l-phenylalanine alcohol_dependence GAP_LOW 0.1023 0.024390243902439025 mazindol Low-priority: Computational docking l-phenylalanine vs alcohol_dependence targets. Cross-check l-phenylalanine pharmacophore against alcohol_dependence pathway. conivaptan vitiligo GAP_LOW 0.1023 0.0 hydrocortisone Low-priority: Computational docking conivaptan vs vitiligo targets. Cross-check conivaptan pharmacophore against vitiligo pathway. streptozocin germ_cell_cancer GAP_LOW 0.1023 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs germ_cell_cancer targets. Cross-check streptozocin pharmacophore against germ_cell_cancer pathway. dexamethasone metabolic_syndrome_x GAP_HIGH 0.1022 0.25 amiloride High-priority: Binding assay dexamethasone→?; validate in metabolic_syndrome_x cell model. Expected: similar to amiloride (Jaccard=0.25) acetylsalicylic_acid ovarian_cancer GAP_HIGH 0.1022 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in ovarian_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid uterine_cancer GAP_HIGH 0.1022 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in uterine_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) chloroprocaine rectum_cancer GAP_HIGH 0.1022 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in rectum_cancer cell model. Expected: similar to methylphenidate (Jaccard=0.17) afatinib multiple_sclerosis GAP_HIGH 0.1022 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in multiple_sclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) afatinib osteoporosis GAP_HIGH 0.1022 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in osteoporosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) adenosine_monophosphate mediastinal_cancer GAP_HIGH 0.1022 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in mediastinal_cancer cell model. Expected: similar to entecavir (Jaccard=0.16) ketorolac ocular_cancer GAP_HIGH 0.1022 0.15384615384615385 clonidine High-priority: Binding assay ketorolac→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.15) adenine attention_deficit_hyperactivity_disorder GAP_LOW 0.1022 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs attention_deficit_hyperactivity_disorder targets. Cross-check adenine pharmacophore against attention_deficit_hyperactivity_disorder pathway. tolmetin pharynx_cancer GAP_LOW 0.1022 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs pharynx_cancer targets. Cross-check tolmetin pharmacophore against pharynx_cancer pathway. indapamide creutzfeldt-jakob_disease GAP_LOW 0.1022 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs creutzfeldt-jakob_disease targets. Cross-check indapamide pharmacophore against creutzfeldt-jakob_disease pathway. oxybuprocaine malignant_glioma GAP_LOW 0.1022 0.12 drospirenone Low-priority: Computational docking oxybuprocaine vs malignant_glioma targets. Cross-check oxybuprocaine pharmacophore against malignant_glioma pathway. trandolapril brain_cancer GAP_LOW 0.1022 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs brain_cancer targets. Cross-check trandolapril pharmacophore against brain_cancer pathway. trandolapril intracranial_aneurysm GAP_LOW 0.1022 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs intracranial_aneurysm targets. Cross-check trandolapril pharmacophore against intracranial_aneurysm pathway. crizotinib glaucoma GAP_LOW 0.1022 0.11538461538461539 pseudoephedrine Low-priority: Computational docking crizotinib vs glaucoma targets. Cross-check crizotinib pharmacophore against glaucoma pathway. tripelennamine penile_cancer GAP_LOW 0.1022 0.11538461538461539 methadone Low-priority: Computational docking tripelennamine vs penile_cancer targets. Cross-check tripelennamine pharmacophore against penile_cancer pathway. enalapril idiopathic_pulmonary_fibrosis GAP_LOW 0.1022 0.10526315789473684 doxycycline Low-priority: Computational docking enalapril vs idiopathic_pulmonary_fibrosis targets. Cross-check enalapril pharmacophore against idiopathic_pulmonary_fibrosis pathway. lapatinib alopecia_areata GAP_LOW 0.1022 0.1 dexamethasone Low-priority: Computational docking lapatinib vs alopecia_areata targets. Cross-check lapatinib pharmacophore against alopecia_areata pathway. tretinoin migraine GAP_LOW 0.1022 0.1 triamterene Low-priority: Computational docking tretinoin vs migraine targets. Cross-check tretinoin pharmacophore against migraine pathway. vidarabine brain_cancer GAP_LOW 0.1022 0.09090909090909091 methotrexate Low-priority: Computational docking vidarabine vs brain_cancer targets. Cross-check vidarabine pharmacophore against brain_cancer pathway. vidarabine intracranial_aneurysm GAP_LOW 0.1022 0.09090909090909091 methotrexate Low-priority: Computational docking vidarabine vs intracranial_aneurysm targets. Cross-check vidarabine pharmacophore against intracranial_aneurysm pathway. quinethazone type_1_diabetes_mellitus GAP_LOW 0.1022 0.07692307692307693 sulfapyridine Low-priority: Computational docking quinethazone vs type_1_diabetes_mellitus targets. Cross-check quinethazone pharmacophore against type_1_diabetes_mellitus pathway. desmopressin endogenous_depression GAP_LOW 0.1022 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs endogenous_depression targets. Cross-check desmopressin pharmacophore against endogenous_depression pathway. paricalcitol refractive_error GAP_LOW 0.1022 0.05263157894736842 droxidopa Low-priority: Computational docking paricalcitol vs refractive_error targets. Cross-check paricalcitol pharmacophore against refractive_error pathway. calcium_acetate rectum_cancer GAP_LOW 0.1022 0.0 hydrocortisone Low-priority: Computational docking calcium_acetate vs rectum_cancer targets. Cross-check calcium_acetate pharmacophore against rectum_cancer pathway. acetylsalicylic_acid sarcoma GAP_HIGH 0.1021 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in sarcoma cell model. Expected: similar to lapatinib (Jaccard=0.24) reboxetine esophageal_cancer GAP_HIGH 0.1021 0.2 tamoxifen High-priority: Binding assay reboxetine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) propafenone muscle_cancer GAP_HIGH 0.1021 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in muscle_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) buclizine meningioma GAP_HIGH 0.1021 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) desipramine type_1_diabetes_mellitus GAP_HIGH 0.1021 0.18181818181818182 lisinopril High-priority: Binding assay desipramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to lisinopril (Jaccard=0.18) cinnarizine salivary_gland_cancer GAP_HIGH 0.1021 0.17647058823529413 phenylbutazone High-priority: Binding assay cinnarizine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) aceprometazine penile_cancer GAP_HIGH 0.1021 0.15789473684210525 fentanyl High-priority: Binding assay aceprometazine→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) adenosine_monophosphate thymus_cancer GAP_HIGH 0.1021 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in thymus_cancer cell model. Expected: similar to entecavir (Jaccard=0.16) oxybuprocaine duodenum_cancer GAP_LOW 0.1021 0.14814814814814814 ethopropazine Low-priority: Computational docking oxybuprocaine vs duodenum_cancer targets. Cross-check oxybuprocaine pharmacophore against duodenum_cancer pathway. oxybuprocaine gallbladder_cancer GAP_LOW 0.1021 0.14814814814814814 ethopropazine Low-priority: Computational docking oxybuprocaine vs gallbladder_cancer targets. Cross-check oxybuprocaine pharmacophore against gallbladder_cancer pathway. cladribine ankylosing_spondylitis GAP_LOW 0.1021 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs ankylosing_spondylitis targets. Cross-check cladribine pharmacophore against ankylosing_spondylitis pathway. hydromorphone skin_cancer GAP_LOW 0.1021 0.1111111111111111 prednicarbate Low-priority: Computational docking hydromorphone vs skin_cancer targets. Cross-check hydromorphone pharmacophore against skin_cancer pathway. trilostane parkinsons_disease GAP_LOW 0.1021 0.1111111111111111 raloxifene Low-priority: Computational docking trilostane vs parkinsons_disease targets. Cross-check trilostane pharmacophore against parkinsons_disease pathway. alprazolam sarcoma GAP_LOW 0.1021 0.10526315789473684 practolol Low-priority: Computational docking alprazolam vs sarcoma targets. Cross-check alprazolam pharmacophore against sarcoma pathway. testosterone chronic_kidney_failure GAP_LOW 0.1021 0.10344827586206896 methadone Low-priority: Computational docking testosterone vs chronic_kidney_failure targets. Cross-check testosterone pharmacophore against chronic_kidney_failure pathway. abacavir gout GAP_LOW 0.1021 0.09090909090909091 methotrexate Low-priority: Computational docking abacavir vs gout targets. Cross-check abacavir pharmacophore against gout pathway. furosemide meningioma GAP_LOW 0.1021 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs meningioma targets. Cross-check furosemide pharmacophore against meningioma pathway. testosterone focal_segmental_glomerulosclerosis GAP_LOW 0.1021 0.09090909090909091 bumetanide Low-priority: Computational docking testosterone vs focal_segmental_glomerulosclerosis targets. Cross-check testosterone pharmacophore against focal_segmental_glomerulosclerosis pathway. dihydrotachysterol lung_cancer GAP_LOW 0.1021 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs lung_cancer targets. Cross-check dihydrotachysterol pharmacophore against lung_cancer pathway. dihydrotachysterol rectum_cancer GAP_LOW 0.1021 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs rectum_cancer targets. Cross-check dihydrotachysterol pharmacophore against rectum_cancer pathway. mazindol bone_cancer GAP_LOW 0.1021 0.07692307692307693 alendronate Low-priority: Computational docking mazindol vs bone_cancer targets. Cross-check mazindol pharmacophore against bone_cancer pathway. ramipril atherosclerosis GAP_LOW 0.1021 0.07692307692307693 salicylate-sodium Low-priority: Computational docking ramipril vs atherosclerosis targets. Cross-check ramipril pharmacophore against atherosclerosis pathway. clotiazepam urinary_bladder_cancer GAP_LOW 0.1021 0.07142857142857142 phenytoin Low-priority: Computational docking clotiazepam vs urinary_bladder_cancer targets. Cross-check clotiazepam pharmacophore against urinary_bladder_cancer pathway. practolol type_1_diabetes_mellitus GAP_LOW 0.1021 0.07142857142857142 benzatropine Low-priority: Computational docking practolol vs type_1_diabetes_mellitus targets. Cross-check practolol pharmacophore against type_1_diabetes_mellitus pathway. ethotoin nephrolithiasis GAP_LOW 0.1021 0.06896551724137931 proparacaine Low-priority: Computational docking ethotoin vs nephrolithiasis targets. Cross-check ethotoin pharmacophore against nephrolithiasis pathway. desmopressin multiple_sclerosis GAP_LOW 0.1021 0.06666666666666667 ketorolac Low-priority: Computational docking desmopressin vs multiple_sclerosis targets. Cross-check desmopressin pharmacophore against multiple_sclerosis pathway. doxorubicin alcohol_dependence GAP_LOW 0.1021 0.0625 naloxone Low-priority: Computational docking doxorubicin vs alcohol_dependence targets. Cross-check doxorubicin pharmacophore against alcohol_dependence pathway. masoprocol bone_cancer GAP_LOW 0.1021 0.0625 clodronate Low-priority: Computational docking masoprocol vs bone_cancer targets. Cross-check masoprocol pharmacophore against bone_cancer pathway. vismodegib dilated_cardiomyopathy GAP_LOW 0.1021 0.05555555555555555 trandolapril Low-priority: Computational docking vismodegib vs dilated_cardiomyopathy targets. Cross-check vismodegib pharmacophore against dilated_cardiomyopathy pathway. flurazepam hepatitis_b GAP_LOW 0.1021 0.04 ribavirin Low-priority: Computational docking flurazepam vs hepatitis_b targets. Cross-check flurazepam pharmacophore against hepatitis_b pathway. ribavirin atherosclerosis GAP_LOW 0.1021 0.038461538461538464 phenylpropanolamine Low-priority: Computational docking ribavirin vs atherosclerosis targets. Cross-check ribavirin pharmacophore against atherosclerosis pathway. ospemifene hepatitis_b GAP_LOW 0.1021 0.03571428571428571 ribavirin Low-priority: Computational docking ospemifene vs hepatitis_b targets. Cross-check ospemifene pharmacophore against hepatitis_b pathway. linaclotide hematologic_cancer GAP_LOW 0.1021 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs hematologic_cancer targets. Cross-check linaclotide pharmacophore against hematologic_cancer pathway. linaclotide narcolepsy GAP_LOW 0.1021 0.0 phenylbutazone Low-priority: Computational docking linaclotide vs narcolepsy targets. Cross-check linaclotide pharmacophore against narcolepsy pathway. nabumetone refractive_error GAP_LOW 0.1021 0.0 pirbuterol Low-priority: Computational docking nabumetone vs refractive_error targets. Cross-check nabumetone pharmacophore against refractive_error pathway. chlorprothixene urinary_bladder_cancer GAP_HIGH 0.102 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.26) triflupromazine narcolepsy GAP_HIGH 0.102 0.2222222222222222 promethazine High-priority: Binding assay triflupromazine→?; validate in narcolepsy cell model. Expected: similar to promethazine (Jaccard=0.22) prochlorperazine sclerosing_cholangitis GAP_HIGH 0.102 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to atropine (Jaccard=0.20) propafenone lung_cancer GAP_HIGH 0.102 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in lung_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) clotrimazole esophageal_cancer GAP_HIGH 0.102 0.19047619047619047 toremifene High-priority: Binding assay clotrimazole→?; validate in esophageal_cancer cell model. Expected: similar to toremifene (Jaccard=0.19) moricizine celiac_disease GAP_HIGH 0.102 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in celiac_disease cell model. Expected: similar to tioguanine (Jaccard=0.18) levorphanol chronic_kidney_failure GAP_HIGH 0.102 0.16666666666666666 dimetacrine High-priority: Binding assay levorphanol→?; validate in chronic_kidney_failure cell model. Expected: similar to dimetacrine (Jaccard=0.17) etoricoxib malaria GAP_HIGH 0.102 0.16 sulfapyridine High-priority: Binding assay etoricoxib→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.16) sulfapyridine urinary_bladder_cancer GAP_HIGH 0.102 0.16 etoricoxib High-priority: Binding assay sulfapyridine→?; validate in urinary_bladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) liothyronine hepatitis_b GAP_HIGH 0.102 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.15) mefenamic_acid hepatitis_b GAP_LOW 0.102 0.14285714285714285 alvimopan Low-priority: Computational docking mefenamic_acid vs hepatitis_b targets. Cross-check mefenamic_acid pharmacophore against hepatitis_b pathway. procaine chronic_kidney_failure GAP_LOW 0.102 0.14285714285714285 methadone Low-priority: Computational docking procaine vs chronic_kidney_failure targets. Cross-check procaine pharmacophore against chronic_kidney_failure pathway. adenine panic_disorder GAP_LOW 0.102 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs panic_disorder targets. Cross-check adenine pharmacophore against panic_disorder pathway. tiaprofenic_acid acquired_immunodeficiency_syndrome GAP_LOW 0.102 0.13333333333333333 alvimopan Low-priority: Computational docking tiaprofenic_acid vs acquired_immunodeficiency_syndrome targets. Cross-check tiaprofenic_acid pharmacophore against acquired_immunodeficiency_syndrome pathway. erlotinib atherosclerosis GAP_LOW 0.102 0.125 acetylsalicylic_acid Low-priority: Computational docking erlotinib vs atherosclerosis targets. Cross-check erlotinib pharmacophore against atherosclerosis pathway. tolmetin thyroid_cancer GAP_LOW 0.102 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs thyroid_cancer targets. Cross-check tolmetin pharmacophore against thyroid_cancer pathway. carbinoxamine dilated_cardiomyopathy GAP_LOW 0.102 0.1111111111111111 drospirenone Low-priority: Computational docking carbinoxamine vs dilated_cardiomyopathy targets. Cross-check carbinoxamine pharmacophore against dilated_cardiomyopathy pathway. crizotinib focal_segmental_glomerulosclerosis GAP_LOW 0.102 0.1111111111111111 amsacrine Low-priority: Computational docking crizotinib vs focal_segmental_glomerulosclerosis targets. Cross-check crizotinib pharmacophore against focal_segmental_glomerulosclerosis pathway. trilostane amyotrophic_lateral_sclerosis GAP_LOW 0.102 0.1111111111111111 raloxifene Low-priority: Computational docking trilostane vs amyotrophic_lateral_sclerosis targets. Cross-check trilostane pharmacophore against amyotrophic_lateral_sclerosis pathway. alitretinoin peripheral_nervous_system_neoplasm GAP_LOW 0.102 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs peripheral_nervous_system_neoplasm targets. Cross-check alitretinoin pharmacophore against peripheral_nervous_system_neoplasm pathway. clodronate malaria GAP_LOW 0.102 0.1 sulfamethizole Low-priority: Computational docking clodronate vs malaria targets. Cross-check clodronate pharmacophore against malaria pathway. ospemifene creutzfeldt-jakob_disease GAP_LOW 0.102 0.09090909090909091 l-dopa Low-priority: Computational docking ospemifene vs creutzfeldt-jakob_disease targets. Cross-check ospemifene pharmacophore against creutzfeldt-jakob_disease pathway. tolmetin chronic_kidney_failure GAP_LOW 0.102 0.09090909090909091 salsalate Low-priority: Computational docking tolmetin vs chronic_kidney_failure targets. Cross-check tolmetin pharmacophore against chronic_kidney_failure pathway. chlorcyclizine leprosy GAP_LOW 0.102 0.08333333333333333 phensuximide Low-priority: Computational docking chlorcyclizine vs leprosy targets. Cross-check chlorcyclizine pharmacophore against leprosy pathway. hydromorphone membranous_glomerulonephritis GAP_LOW 0.102 0.08333333333333333 chlorthalidone Low-priority: Computational docking hydromorphone vs membranous_glomerulonephritis targets. Cross-check hydromorphone pharmacophore against membranous_glomerulonephritis pathway. cyclizine bone_cancer GAP_LOW 0.102 0.07142857142857142 alendronate Low-priority: Computational docking cyclizine vs bone_cancer targets. Cross-check cyclizine pharmacophore against bone_cancer pathway. droperidol kidney_cancer GAP_LOW 0.102 0.07142857142857142 proparacaine Low-priority: Computational docking droperidol vs kidney_cancer targets. Cross-check droperidol pharmacophore against kidney_cancer pathway. adenosine_triphosphate atherosclerosis GAP_LOW 0.102 0.06521739130434782 acetylsalicylic_acid Low-priority: Computational docking adenosine_triphosphate vs atherosclerosis targets. Cross-check adenosine_triphosphate pharmacophore against atherosclerosis pathway. dyphylline pancreatic_cancer GAP_LOW 0.102 0.047619047619047616 lamivudine Low-priority: Computational docking dyphylline vs pancreatic_cancer targets. Cross-check dyphylline pharmacophore against pancreatic_cancer pathway. ethotoin larynx_cancer GAP_LOW 0.102 0.047619047619047616 pantoprazole Low-priority: Computational docking ethotoin vs larynx_cancer targets. Cross-check ethotoin pharmacophore against larynx_cancer pathway. imatinib glaucoma GAP_LOW 0.102 0.045454545454545456 pseudoephedrine Low-priority: Computational docking imatinib vs glaucoma targets. Cross-check imatinib pharmacophore against glaucoma pathway. naproxen dilated_cardiomyopathy GAP_LOW 0.102 0.043478260869565216 trandolapril Low-priority: Computational docking naproxen vs dilated_cardiomyopathy targets. Cross-check naproxen pharmacophore against dilated_cardiomyopathy pathway. ethynodiol leprosy GAP_LOW 0.102 0.0 sulfapyridine Low-priority: Computational docking ethynodiol vs leprosy targets. Cross-check ethynodiol pharmacophore against leprosy pathway. mestranol leprosy GAP_LOW 0.102 0.0 sulfapyridine Low-priority: Computational docking mestranol vs leprosy targets. Cross-check mestranol pharmacophore against leprosy pathway. dexamethasone obesity GAP_HIGH 0.1019 0.25 amiloride High-priority: Binding assay dexamethasone→?; validate in obesity cell model. Expected: similar to amiloride (Jaccard=0.25) etoricoxib coronary_artery_disease GAP_HIGH 0.1019 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in coronary_artery_disease cell model. Expected: similar to nateglinide (Jaccard=0.22) desipramine germ_cell_cancer GAP_HIGH 0.1019 0.2 vincristine High-priority: Binding assay desipramine→?; validate in germ_cell_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) ketoprofen stomach_cancer GAP_HIGH 0.1019 0.18181818181818182 thalidomide High-priority: Binding assay ketoprofen→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.18) prednicarbate creutzfeldt-jakob_disease GAP_HIGH 0.1019 0.16666666666666666 dextromethorphan High-priority: Binding assay prednicarbate→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) tolterodine pharynx_cancer GAP_HIGH 0.1019 0.16666666666666666 methadone High-priority: Binding assay tolterodine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.17) adenosine_monophosphate meningioma GAP_LOW 0.1019 0.14754098360655737 lamivudine Low-priority: Computational docking adenosine_monophosphate vs meningioma targets. Cross-check adenosine_monophosphate pharmacophore against meningioma pathway. cinnarizine refractive_error GAP_LOW 0.1019 0.14285714285714285 metaraminol Low-priority: Computational docking cinnarizine vs refractive_error targets. Cross-check cinnarizine pharmacophore against refractive_error pathway. phenindamine germ_cell_cancer GAP_LOW 0.1019 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs germ_cell_cancer targets. Cross-check phenindamine pharmacophore against germ_cell_cancer pathway. adenine asthma GAP_LOW 0.1019 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs asthma targets. Cross-check adenine pharmacophore against asthma pathway. adenine atopic_dermatitis GAP_LOW 0.1019 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs atopic_dermatitis targets. Cross-check adenine pharmacophore against atopic_dermatitis pathway. adenine breast_cancer GAP_LOW 0.1019 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs breast_cancer targets. Cross-check adenine pharmacophore against breast_cancer pathway. adenine conduct_disorder GAP_LOW 0.1019 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs conduct_disorder targets. Cross-check adenine pharmacophore against conduct_disorder pathway. adenine schizophrenia GAP_LOW 0.1019 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs schizophrenia targets. Cross-check adenine pharmacophore against schizophrenia pathway. dextroamphetamine focal_segmental_glomerulosclerosis GAP_LOW 0.1019 0.125 alimemazine Low-priority: Computational docking dextroamphetamine vs focal_segmental_glomerulosclerosis targets. Cross-check dextroamphetamine pharmacophore against focal_segmental_glomerulosclerosis pathway. lisinopril brain_cancer GAP_LOW 0.1019 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs brain_cancer targets. Cross-check lisinopril pharmacophore against brain_cancer pathway. lisinopril intracranial_aneurysm GAP_LOW 0.1019 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs intracranial_aneurysm targets. Cross-check lisinopril pharmacophore against intracranial_aneurysm pathway. dihydrotachysterol liver_cancer GAP_LOW 0.1019 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs liver_cancer targets. Cross-check dihydrotachysterol pharmacophore against liver_cancer pathway. droperidol nephrolithiasis GAP_LOW 0.1019 0.07142857142857142 proparacaine Low-priority: Computational docking droperidol vs nephrolithiasis targets. Cross-check droperidol pharmacophore against nephrolithiasis pathway. lidocaine hepatitis_b GAP_LOW 0.1019 0.07142857142857142 pentostatin Low-priority: Computational docking lidocaine vs hepatitis_b targets. Cross-check lidocaine pharmacophore against hepatitis_b pathway. mitiglinide dilated_cardiomyopathy GAP_LOW 0.1019 0.07142857142857142 trandolapril Low-priority: Computational docking mitiglinide vs dilated_cardiomyopathy targets. Cross-check mitiglinide pharmacophore against dilated_cardiomyopathy pathway. paclitaxel dilated_cardiomyopathy GAP_LOW 0.1019 0.07142857142857142 drospirenone Low-priority: Computational docking paclitaxel vs dilated_cardiomyopathy targets. Cross-check paclitaxel pharmacophore against dilated_cardiomyopathy pathway. droperidol brain_cancer GAP_LOW 0.1019 0.06666666666666667 levorphanol Low-priority: Computational docking droperidol vs brain_cancer targets. Cross-check droperidol pharmacophore against brain_cancer pathway. afatinib acquired_immunodeficiency_syndrome GAP_LOW 0.1019 0.05263157894736842 lisinopril Low-priority: Computational docking afatinib vs acquired_immunodeficiency_syndrome targets. Cross-check afatinib pharmacophore against acquired_immunodeficiency_syndrome pathway. dextroamphetamine alcohol_dependence GAP_LOW 0.1019 0.05263157894736842 temazepam Low-priority: Computational docking dextroamphetamine vs alcohol_dependence targets. Cross-check dextroamphetamine pharmacophore against alcohol_dependence pathway. flurazepam alopecia_areata GAP_LOW 0.1019 0.047619047619047616 levorphanol Low-priority: Computational docking flurazepam vs alopecia_areata targets. Cross-check flurazepam pharmacophore against alopecia_areata pathway. levonorgestrel atherosclerosis GAP_LOW 0.1019 0.043478260869565216 acetylsalicylic_acid Low-priority: Computational docking levonorgestrel vs atherosclerosis targets. Cross-check levonorgestrel pharmacophore against atherosclerosis pathway. chloroprocaine alcohol_dependence GAP_LOW 0.1019 0.04 ethylmorphine Low-priority: Computational docking chloroprocaine vs alcohol_dependence targets. Cross-check chloroprocaine pharmacophore against alcohol_dependence pathway. naproxen alcohol_dependence GAP_LOW 0.1019 0.037037037037037035 levorphanol Low-priority: Computational docking naproxen vs alcohol_dependence targets. Cross-check naproxen pharmacophore against alcohol_dependence pathway. adenosine_monophosphate alcohol_dependence GAP_LOW 0.1019 0.015873015873015872 naloxone Low-priority: Computational docking adenosine_monophosphate vs alcohol_dependence targets. Cross-check adenosine_monophosphate pharmacophore against alcohol_dependence pathway. emtricitabine malaria GAP_LOW 0.1019 0.0 ethotoin Low-priority: Computational docking emtricitabine vs malaria targets. Cross-check emtricitabine pharmacophore against malaria pathway. flavin_adenine_dinucleotide malaria GAP_LOW 0.1019 0.0 ethotoin Low-priority: Computational docking flavin_adenine_dinucleotide vs malaria targets. Cross-check flavin_adenine_dinucleotide pharmacophore against malaria pathway. loratadine gilles_de_la_tourette_syndrome GAP_LOW 0.1019 0.0 loxapine Low-priority: Computational docking loratadine vs gilles_de_la_tourette_syndrome targets. Cross-check loratadine pharmacophore against gilles_de_la_tourette_syndrome pathway. naloxone malaria GAP_LOW 0.1019 0.0 ethotoin Low-priority: Computational docking naloxone vs malaria targets. Cross-check naloxone pharmacophore against malaria pathway. pomalidomide malaria GAP_LOW 0.1019 0.0 ethotoin Low-priority: Computational docking pomalidomide vs malaria targets. Cross-check pomalidomide pharmacophore against malaria pathway. travoprost malaria GAP_LOW 0.1019 0.0 ethotoin Low-priority: Computational docking travoprost vs malaria targets. Cross-check travoprost pharmacophore against malaria pathway. pseudoephedrine muscle_cancer GAP_HIGH 0.1018 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) estrone pancreatitis GAP_HIGH 0.1018 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in pancreatitis cell model. Expected: similar to exemestane (Jaccard=0.27) estrone salivary_gland_cancer GAP_HIGH 0.1018 0.26666666666666666 exemestane High-priority: Binding assay estrone→?; validate in salivary_gland_cancer cell model. Expected: similar to exemestane (Jaccard=0.27) chlorpromazine malignant_mesothelioma GAP_HIGH 0.1018 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.25) diphenylpyraline esophageal_cancer GAP_HIGH 0.1018 0.25 tamoxifen High-priority: Binding assay diphenylpyraline→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) fentanyl type_1_diabetes_mellitus GAP_HIGH 0.1018 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.24) dexamethasone prostate_cancer GAP_HIGH 0.1018 0.2222222222222222 etonogestrel High-priority: Binding assay dexamethasone→?; validate in prostate_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.22) bevantolol rectum_cancer GAP_HIGH 0.1018 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in rectum_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.19) cinnarizine ocular_cancer GAP_HIGH 0.1018 0.17647058823529413 phenylbutazone High-priority: Binding assay cinnarizine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.18) chloroprocaine peripheral_nervous_system_neoplasm GAP_HIGH 0.1018 0.16666666666666666 methylphenidate High-priority: Binding assay chloroprocaine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to methylphenidate (Jaccard=0.17) lacosamide glaucoma GAP_HIGH 0.1018 0.16666666666666666 phenylpropanolamine High-priority: Binding assay lacosamide→?; validate in glaucoma cell model. Expected: similar to phenylpropanolamine (Jaccard=0.17) adenine allergic_rhinitis GAP_LOW 0.1018 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs allergic_rhinitis targets. Cross-check adenine pharmacophore against allergic_rhinitis pathway. adenine bipolar_disorder GAP_LOW 0.1018 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs bipolar_disorder targets. Cross-check adenine pharmacophore against bipolar_disorder pathway. adenine hypertension GAP_LOW 0.1018 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs hypertension targets. Cross-check adenine pharmacophore against hypertension pathway. drostanolone narcolepsy GAP_LOW 0.1018 0.13333333333333333 loperamide Low-priority: Computational docking drostanolone vs narcolepsy targets. Cross-check drostanolone pharmacophore against narcolepsy pathway. naproxen gilles_de_la_tourette_syndrome GAP_LOW 0.1018 0.13043478260869565 diphemanil_methylsulfate Low-priority: Computational docking naproxen vs gilles_de_la_tourette_syndrome targets. Cross-check naproxen pharmacophore against gilles_de_la_tourette_syndrome pathway. ketorolac glaucoma GAP_LOW 0.1018 0.1111111111111111 methacholine Low-priority: Computational docking ketorolac vs glaucoma targets. Cross-check ketorolac pharmacophore against glaucoma pathway. alverine atherosclerosis GAP_LOW 0.1018 0.10526315789473684 warfarin Low-priority: Computational docking alverine vs atherosclerosis targets. Cross-check alverine pharmacophore against atherosclerosis pathway. enalapril meningioma GAP_LOW 0.1018 0.1 doxorubicin Low-priority: Computational docking enalapril vs meningioma targets. Cross-check enalapril pharmacophore against meningioma pathway. sulfaphenazole focal_segmental_glomerulosclerosis GAP_LOW 0.1018 0.1 mefenamic_acid Low-priority: Computational docking sulfaphenazole vs focal_segmental_glomerulosclerosis targets. Cross-check sulfaphenazole pharmacophore against focal_segmental_glomerulosclerosis pathway. azacitidine psoriasis GAP_LOW 0.1018 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking azacitidine vs psoriasis targets. Cross-check azacitidine pharmacophore against psoriasis pathway. ketoprofen lymphatic_system_cancer GAP_LOW 0.1018 0.09090909090909091 vindesine Low-priority: Computational docking ketoprofen vs lymphatic_system_cancer targets. Cross-check ketoprofen pharmacophore against lymphatic_system_cancer pathway. dihydrotachysterol peripheral_nervous_system_neoplasm GAP_LOW 0.1018 0.08333333333333333 salicylate-sodium Low-priority: Computational docking dihydrotachysterol vs peripheral_nervous_system_neoplasm targets. Cross-check dihydrotachysterol pharmacophore against peripheral_nervous_system_neoplasm pathway. diclofenamide chronic_obstructive_pulmonary_disease GAP_LOW 0.1018 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs chronic_obstructive_pulmonary_disease targets. Cross-check diclofenamide pharmacophore against chronic_obstructive_pulmonary_disease pathway. calcidiol crohns_disease GAP_LOW 0.1018 0.06666666666666667 anileridine Low-priority: Computational docking calcidiol vs crohns_disease targets. Cross-check calcidiol pharmacophore against crohns_disease pathway. desmopressin salivary_gland_cancer GAP_LOW 0.1018 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs salivary_gland_cancer targets. Cross-check desmopressin pharmacophore against salivary_gland_cancer pathway. diphemanil_methylsulfate leprosy GAP_LOW 0.1018 0.058823529411764705 sulfamethizole Low-priority: Computational docking diphemanil_methylsulfate vs leprosy targets. Cross-check diphemanil_methylsulfate pharmacophore against leprosy pathway. pirenzepine leprosy GAP_LOW 0.1018 0.05555555555555555 sulfamethizole Low-priority: Computational docking pirenzepine vs leprosy targets. Cross-check pirenzepine pharmacophore against leprosy pathway. sulfaphenazole acquired_immunodeficiency_syndrome GAP_LOW 0.1018 0.05555555555555555 lisinopril Low-priority: Computational docking sulfaphenazole vs acquired_immunodeficiency_syndrome targets. Cross-check sulfaphenazole pharmacophore against acquired_immunodeficiency_syndrome pathway. methamphetamine alcohol_dependence GAP_LOW 0.1018 0.05263157894736842 temazepam Low-priority: Computational docking methamphetamine vs alcohol_dependence targets. Cross-check methamphetamine pharmacophore against alcohol_dependence pathway. ethylmorphine atherosclerosis GAP_LOW 0.1018 0.047619047619047616 phentermine Low-priority: Computational docking ethylmorphine vs atherosclerosis targets. Cross-check ethylmorphine pharmacophore against atherosclerosis pathway. acenocoumarol bone_cancer GAP_LOW 0.1018 0.0 ibandronate Low-priority: Computational docking acenocoumarol vs bone_cancer targets. Cross-check acenocoumarol pharmacophore against bone_cancer pathway. amoxapine gestational_diabetes GAP_LOW 0.1018 0.0 tolazamide Low-priority: Computational docking amoxapine vs gestational_diabetes targets. Cross-check amoxapine pharmacophore against gestational_diabetes pathway. loratadine type_1_diabetes_mellitus GAP_LOW 0.1018 0.0 hydrocortisone Low-priority: Computational docking loratadine vs type_1_diabetes_mellitus targets. Cross-check loratadine pharmacophore against type_1_diabetes_mellitus pathway. mepyramine bone_cancer GAP_LOW 0.1018 0.0 ibandronate Low-priority: Computational docking mepyramine vs bone_cancer targets. Cross-check mepyramine pharmacophore against bone_cancer pathway. pralatrexate gestational_diabetes GAP_LOW 0.1018 0.0 tolazamide Low-priority: Computational docking pralatrexate vs gestational_diabetes targets. Cross-check pralatrexate pharmacophore against gestational_diabetes pathway. tripelennamine bone_cancer GAP_LOW 0.1018 0.0 ibandronate Low-priority: Computational docking tripelennamine vs bone_cancer targets. Cross-check tripelennamine pharmacophore against bone_cancer pathway. reboxetine focal_segmental_glomerulosclerosis GAP_HIGH 0.1017 0.2 cinacalcet High-priority: Binding assay reboxetine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cinacalcet (Jaccard=0.20) sunitinib narcolepsy GAP_HIGH 0.1017 0.17647058823529413 l-arginine High-priority: Binding assay sunitinib→?; validate in narcolepsy cell model. Expected: similar to l-arginine (Jaccard=0.18) acetylsalicylic_acid larynx_cancer GAP_HIGH 0.1017 0.15789473684210525 docetaxel High-priority: Binding assay acetylsalicylic_acid→?; validate in larynx_cancer cell model. Expected: similar to docetaxel (Jaccard=0.16) docetaxel crohns_disease GAP_HIGH 0.1017 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in crohns_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) diclofenac sarcoma GAP_HIGH 0.1017 0.15384615384615385 epinephrine High-priority: Binding assay diclofenac→?; validate in sarcoma cell model. Expected: similar to epinephrine (Jaccard=0.15) floctafenine pharynx_cancer GAP_HIGH 0.1017 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in pharynx_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) sunitinib chronic_kidney_failure GAP_HIGH 0.1017 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in chronic_kidney_failure cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) teniposide hypertension GAP_HIGH 0.1017 0.15384615384615385 voacamine High-priority: Binding assay teniposide→?; validate in hypertension cell model. Expected: similar to voacamine (Jaccard=0.15) adenine endogenous_depression GAP_LOW 0.1017 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs endogenous_depression targets. Cross-check adenine pharmacophore against endogenous_depression pathway. methamphetamine gilles_de_la_tourette_syndrome GAP_LOW 0.1017 0.13043478260869565 trimipramine Low-priority: Computational docking methamphetamine vs gilles_de_la_tourette_syndrome targets. Cross-check methamphetamine pharmacophore against gilles_de_la_tourette_syndrome pathway. indecainide atherosclerosis GAP_LOW 0.1017 0.125 salsalate Low-priority: Computational docking indecainide vs atherosclerosis targets. Cross-check indecainide pharmacophore against atherosclerosis pathway. sunitinib hepatitis_b GAP_LOW 0.1017 0.125 glucosamine Low-priority: Computational docking sunitinib vs hepatitis_b targets. Cross-check sunitinib pharmacophore against hepatitis_b pathway. testosterone narcolepsy GAP_LOW 0.1017 0.125 loperamide Low-priority: Computational docking testosterone vs narcolepsy targets. Cross-check testosterone pharmacophore against narcolepsy pathway. drostanolone focal_segmental_glomerulosclerosis GAP_LOW 0.1017 0.1 dimetacrine Low-priority: Computational docking drostanolone vs focal_segmental_glomerulosclerosis targets. Cross-check drostanolone pharmacophore against focal_segmental_glomerulosclerosis pathway. arbutamine larynx_cancer GAP_LOW 0.1017 0.09090909090909091 clodronate Low-priority: Computational docking arbutamine vs larynx_cancer targets. Cross-check arbutamine pharmacophore against larynx_cancer pathway. zidovudine germ_cell_cancer GAP_LOW 0.1017 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs germ_cell_cancer targets. Cross-check zidovudine pharmacophore against germ_cell_cancer pathway. atropine alcohol_dependence GAP_LOW 0.1017 0.07692307692307693 temazepam Low-priority: Computational docking atropine vs alcohol_dependence targets. Cross-check atropine pharmacophore against alcohol_dependence pathway. desogestrel membranous_glomerulonephritis GAP_LOW 0.1017 0.07692307692307693 calcitriol Low-priority: Computational docking desogestrel vs membranous_glomerulonephritis targets. Cross-check desogestrel pharmacophore against membranous_glomerulonephritis pathway. tolmetin larynx_cancer GAP_LOW 0.1017 0.0625 procarbazine Low-priority: Computational docking tolmetin vs larynx_cancer targets. Cross-check tolmetin pharmacophore against larynx_cancer pathway. aprindine dilated_cardiomyopathy GAP_LOW 0.1017 0.058823529411764705 medrysone Low-priority: Computational docking aprindine vs dilated_cardiomyopathy targets. Cross-check aprindine pharmacophore against dilated_cardiomyopathy pathway. desmopressin muscle_cancer GAP_LOW 0.1017 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs muscle_cancer targets. Cross-check desmopressin pharmacophore against muscle_cancer pathway. clofarabine larynx_cancer GAP_LOW 0.1017 0.05263157894736842 methotrexate Low-priority: Computational docking clofarabine vs larynx_cancer targets. Cross-check clofarabine pharmacophore against larynx_cancer pathway. ribavirin larynx_cancer GAP_LOW 0.1017 0.05 methotrexate Low-priority: Computational docking ribavirin vs larynx_cancer targets. Cross-check ribavirin pharmacophore against larynx_cancer pathway. propranolol colon_cancer GAP_HIGH 0.1016 0.25 butenafine High-priority: Binding assay propranolol→?; validate in colon_cancer cell model. Expected: similar to butenafine (Jaccard=0.25) propranolol stomach_cancer GAP_HIGH 0.1016 0.25 butenafine High-priority: Binding assay propranolol→?; validate in stomach_cancer cell model. Expected: similar to butenafine (Jaccard=0.25) acetylsalicylic_acid testicular_cancer GAP_HIGH 0.1016 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in testicular_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) acetylsalicylic_acid vaginal_cancer GAP_HIGH 0.1016 0.23529411764705882 lapatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in vaginal_cancer cell model. Expected: similar to lapatinib (Jaccard=0.24) alimemazine meningioma GAP_HIGH 0.1016 0.23076923076923078 diphenylpyraline High-priority: Binding assay alimemazine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) desipramine thyroid_cancer GAP_HIGH 0.1016 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.22) estradiol pancreatitis GAP_HIGH 0.1016 0.21739130434782608 fluoxymesterone High-priority: Binding assay estradiol→?; validate in pancreatitis cell model. Expected: similar to fluoxymesterone (Jaccard=0.22) metoclopramide duodenum_cancer GAP_HIGH 0.1016 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in duodenum_cancer cell model. Expected: similar to gefitinib (Jaccard=0.22) metoclopramide gallbladder_cancer GAP_HIGH 0.1016 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in gallbladder_cancer cell model. Expected: similar to gefitinib (Jaccard=0.22) procainamide duodenum_cancer GAP_HIGH 0.1016 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in duodenum_cancer cell model. Expected: similar to gefitinib (Jaccard=0.21) procainamide gallbladder_cancer GAP_HIGH 0.1016 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in gallbladder_cancer cell model. Expected: similar to gefitinib (Jaccard=0.21) droxidopa malaria GAP_HIGH 0.1016 0.1724137931034483 sulfapyridine High-priority: Binding assay droxidopa→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.17) prednisolone azoospermia GAP_HIGH 0.1016 0.16666666666666666 atropine High-priority: Binding assay prednisolone→?; validate in azoospermia cell model. Expected: similar to atropine (Jaccard=0.17) fluorometholone membranous_glomerulonephritis GAP_HIGH 0.1016 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to floctafenine (Jaccard=0.15) crizotinib narcolepsy GAP_LOW 0.1016 0.14285714285714285 l-arginine Low-priority: Computational docking crizotinib vs narcolepsy targets. Cross-check crizotinib pharmacophore against narcolepsy pathway. estradiol_valeratedienogest chronic_kidney_failure GAP_LOW 0.1016 0.13043478260869565 dimetacrine Low-priority: Computational docking estradiol_valeratedienogest vs chronic_kidney_failure targets. Cross-check estradiol_valeratedienogest pharmacophore against chronic_kidney_failure pathway. adenosine_triphosphate meningioma GAP_LOW 0.1016 0.1282051282051282 lamivudine Low-priority: Computational docking adenosine_triphosphate vs meningioma targets. Cross-check adenosine_triphosphate pharmacophore against meningioma pathway. indapamide chronic_obstructive_pulmonary_disease GAP_LOW 0.1016 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs chronic_obstructive_pulmonary_disease targets. Cross-check indapamide pharmacophore against chronic_obstructive_pulmonary_disease pathway. mepyramine pharynx_cancer GAP_LOW 0.1016 0.11538461538461539 diphenylpyraline Low-priority: Computational docking mepyramine vs pharynx_cancer targets. Cross-check mepyramine pharmacophore against pharynx_cancer pathway. diphenidol refractive_error GAP_LOW 0.1016 0.1111111111111111 metaraminol Low-priority: Computational docking diphenidol vs refractive_error targets. Cross-check diphenidol pharmacophore against refractive_error pathway. terbutaline gilles_de_la_tourette_syndrome GAP_LOW 0.1016 0.09090909090909091 tolterodine Low-priority: Computational docking terbutaline vs gilles_de_la_tourette_syndrome targets. Cross-check terbutaline pharmacophore against gilles_de_la_tourette_syndrome pathway. furosemide malignant_mesothelioma GAP_LOW 0.1016 0.08571428571428572 fenoprofen Low-priority: Computational docking furosemide vs malignant_mesothelioma targets. Cross-check furosemide pharmacophore against malignant_mesothelioma pathway. salbutamol germ_cell_cancer GAP_LOW 0.1016 0.08333333333333333 mesalazine Low-priority: Computational docking salbutamol vs germ_cell_cancer targets. Cross-check salbutamol pharmacophore against germ_cell_cancer pathway. diclofenamide pancreatitis GAP_LOW 0.1016 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs pancreatitis targets. Cross-check diclofenamide pharmacophore against pancreatitis pathway. trifluoperazine leprosy GAP_LOW 0.1016 0.06666666666666667 sulfamethizole Low-priority: Computational docking trifluoperazine vs leprosy targets. Cross-check trifluoperazine pharmacophore against leprosy pathway. ifenprodil leprosy GAP_LOW 0.1016 0.05555555555555555 phenmetrazine Low-priority: Computational docking ifenprodil vs leprosy targets. Cross-check ifenprodil pharmacophore against leprosy pathway. zafirlukast meningioma GAP_LOW 0.1016 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs meningioma targets. Cross-check zafirlukast pharmacophore against meningioma pathway. regadenoson type_1_diabetes_mellitus GAP_LOW 0.1016 0.05 tioguanine Low-priority: Computational docking regadenoson vs type_1_diabetes_mellitus targets. Cross-check regadenoson pharmacophore against type_1_diabetes_mellitus pathway. cinchocaine alopecia_areata GAP_LOW 0.1016 0.03333333333333333 levorphanol Low-priority: Computational docking cinchocaine vs alopecia_areata targets. Cross-check cinchocaine pharmacophore against alopecia_areata pathway. dyphylline coronary_artery_disease GAP_LOW 0.1016 0.03225806451612903 phenacemide Low-priority: Computational docking dyphylline vs coronary_artery_disease targets. Cross-check dyphylline pharmacophore against coronary_artery_disease pathway. imatinib alopecia_areata GAP_LOW 0.1016 0.03125 dexamethasone Low-priority: Computational docking imatinib vs alopecia_areata targets. Cross-check imatinib pharmacophore against alopecia_areata pathway. estazolam dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking estazolam vs dilated_cardiomyopathy targets. Cross-check estazolam pharmacophore against dilated_cardiomyopathy pathway. levomilnacipran dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking levomilnacipran vs dilated_cardiomyopathy targets. Cross-check levomilnacipran pharmacophore against dilated_cardiomyopathy pathway. metaraminol dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking metaraminol vs dilated_cardiomyopathy targets. Cross-check metaraminol pharmacophore against dilated_cardiomyopathy pathway. milnacipran dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking milnacipran vs dilated_cardiomyopathy targets. Cross-check milnacipran pharmacophore against dilated_cardiomyopathy pathway. pimozide dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking pimozide vs dilated_cardiomyopathy targets. Cross-check pimozide pharmacophore against dilated_cardiomyopathy pathway. zidovudine dilated_cardiomyopathy GAP_LOW 0.1016 0.0 hydrocortisone Low-priority: Computational docking zidovudine vs dilated_cardiomyopathy targets. Cross-check zidovudine pharmacophore against dilated_cardiomyopathy pathway. diphenylpyraline membranous_glomerulonephritis GAP_HIGH 0.1015 0.2727272727272727 naftifine High-priority: Binding assay diphenylpyraline→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.27) liothyronine obesity GAP_HIGH 0.1015 0.2222222222222222 isocarboxazid High-priority: Binding assay liothyronine→?; validate in obesity cell model. Expected: similar to isocarboxazid (Jaccard=0.22) nateglinide kidney_cancer GAP_HIGH 0.1015 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in kidney_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) propiomazine prostate_cancer GAP_HIGH 0.1015 0.2 isopropamide High-priority: Binding assay propiomazine→?; validate in prostate_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) buclizine prostate_cancer GAP_HIGH 0.1015 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in prostate_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) azatadine penile_cancer GAP_HIGH 0.1015 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in penile_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) carbidopa malaria GAP_HIGH 0.1015 0.16129032258064516 sulfapyridine High-priority: Binding assay carbidopa→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.16) floctafenine thyroid_cancer GAP_HIGH 0.1015 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in thyroid_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) pargyline hepatitis_b GAP_LOW 0.1015 0.13636363636363635 nateglinide Low-priority: Computational docking pargyline vs hepatitis_b targets. Cross-check pargyline pharmacophore against hepatitis_b pathway. adenine migraine GAP_LOW 0.1015 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs migraine targets. Cross-check adenine pharmacophore against migraine pathway. epirubicin celiac_disease GAP_LOW 0.1015 0.125 tioguanine Low-priority: Computational docking epirubicin vs celiac_disease targets. Cross-check epirubicin pharmacophore against celiac_disease pathway. tolmetin muscle_cancer GAP_LOW 0.1015 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs muscle_cancer targets. Cross-check tolmetin pharmacophore against muscle_cancer pathway. oxybuprocaine refractive_error GAP_LOW 0.1015 0.11764705882352941 metaraminol Low-priority: Computational docking oxybuprocaine vs refractive_error targets. Cross-check oxybuprocaine pharmacophore against refractive_error pathway. menadione lymphatic_system_cancer GAP_LOW 0.1015 0.1111111111111111 streptozocin Low-priority: Computational docking menadione vs lymphatic_system_cancer targets. Cross-check menadione pharmacophore against lymphatic_system_cancer pathway. mitiglinide lymphatic_system_cancer GAP_LOW 0.1015 0.1111111111111111 aciclovir Low-priority: Computational docking mitiglinide vs lymphatic_system_cancer targets. Cross-check mitiglinide pharmacophore against lymphatic_system_cancer pathway. imatinib restless_legs_syndrome GAP_LOW 0.1015 0.10526315789473684 metoclopramide Low-priority: Computational docking imatinib vs restless_legs_syndrome targets. Cross-check imatinib pharmacophore against restless_legs_syndrome pathway. estazolam malignant_mesothelioma GAP_LOW 0.1015 0.0967741935483871 chlorcyclizine Low-priority: Computational docking estazolam vs malignant_mesothelioma targets. Cross-check estazolam pharmacophore against malignant_mesothelioma pathway. sotalol gilles_de_la_tourette_syndrome GAP_LOW 0.1015 0.09523809523809523 difenoxin Low-priority: Computational docking sotalol vs gilles_de_la_tourette_syndrome targets. Cross-check sotalol pharmacophore against gilles_de_la_tourette_syndrome pathway. mepyramine intracranial_aneurysm GAP_LOW 0.1015 0.08333333333333333 procarbazine Low-priority: Computational docking mepyramine vs intracranial_aneurysm targets. Cross-check mepyramine pharmacophore against intracranial_aneurysm pathway. methyltestosterone gilles_de_la_tourette_syndrome GAP_LOW 0.1015 0.08333333333333333 loperamide Low-priority: Computational docking methyltestosterone vs gilles_de_la_tourette_syndrome targets. Cross-check methyltestosterone pharmacophore against gilles_de_la_tourette_syndrome pathway. trilostane chronic_kidney_failure GAP_LOW 0.1015 0.07692307692307693 carbinoxamine Low-priority: Computational docking trilostane vs chronic_kidney_failure targets. Cross-check trilostane pharmacophore against chronic_kidney_failure pathway. tripelennamine larynx_cancer GAP_LOW 0.1015 0.07692307692307693 procarbazine Low-priority: Computational docking tripelennamine vs larynx_cancer targets. Cross-check tripelennamine pharmacophore against larynx_cancer pathway. stanozolol refractive_error GAP_LOW 0.1015 0.0625 l-dopa Low-priority: Computational docking stanozolol vs refractive_error targets. Cross-check stanozolol pharmacophore against refractive_error pathway. desmopressin ocular_cancer GAP_LOW 0.1015 0.058823529411764705 cortisone_acetate Low-priority: Computational docking desmopressin vs ocular_cancer targets. Cross-check desmopressin pharmacophore against ocular_cancer pathway. droperidol esophageal_cancer GAP_LOW 0.1015 0.058823529411764705 toremifene Low-priority: Computational docking droperidol vs esophageal_cancer targets. Cross-check droperidol pharmacophore against esophageal_cancer pathway. norelgestromin glaucoma GAP_LOW 0.1015 0.058823529411764705 l-dopa Low-priority: Computational docking norelgestromin vs glaucoma targets. Cross-check norelgestromin pharmacophore against glaucoma pathway. enalapril malaria GAP_LOW 0.1015 0.045454545454545456 tetracycline Low-priority: Computational docking enalapril vs malaria targets. Cross-check enalapril pharmacophore against malaria pathway. ziprasidone lymphatic_system_cancer GAP_LOW 0.1015 0.02857142857142857 adenosine_triphosphate Low-priority: Computational docking ziprasidone vs lymphatic_system_cancer targets. Cross-check ziprasidone pharmacophore against lymphatic_system_cancer pathway. acetic_acid malignant_mesothelioma GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs malignant_mesothelioma targets. Cross-check acetic_acid pharmacophore against malignant_mesothelioma pathway. antipyrine alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking antipyrine vs alopecia_areata targets. Cross-check antipyrine pharmacophore against alopecia_areata pathway. clofarabine alcohol_dependence GAP_LOW 0.1015 0.0 midazolam Low-priority: Computational docking clofarabine vs alcohol_dependence targets. Cross-check clofarabine pharmacophore against alcohol_dependence pathway. desmopressin hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking desmopressin vs hepatitis_b targets. Cross-check desmopressin pharmacophore against hepatitis_b pathway. dyphylline alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking dyphylline vs alopecia_areata targets. Cross-check dyphylline pharmacophore against alopecia_areata pathway. felypressin hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking felypressin vs hepatitis_b targets. Cross-check felypressin pharmacophore against hepatitis_b pathway. fenbufen alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking fenbufen vs alopecia_areata targets. Cross-check fenbufen pharmacophore against alopecia_areata pathway. halazepam hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking halazepam vs hepatitis_b targets. Cross-check halazepam pharmacophore against hepatitis_b pathway. ketazolam alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking ketazolam vs alopecia_areata targets. Cross-check ketazolam pharmacophore against alopecia_areata pathway. methsuximide alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking methsuximide vs alopecia_areata targets. Cross-check methsuximide pharmacophore against alopecia_areata pathway. pasireotide hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking pasireotide vs hepatitis_b targets. Cross-check pasireotide pharmacophore against hepatitis_b pathway. polythiazide alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking polythiazide vs alopecia_areata targets. Cross-check polythiazide pharmacophore against alopecia_areata pathway. ribavirin alcohol_dependence GAP_LOW 0.1015 0.0 midazolam Low-priority: Computational docking ribavirin vs alcohol_dependence targets. Cross-check ribavirin pharmacophore against alcohol_dependence pathway. streptozocin malignant_mesothelioma GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs malignant_mesothelioma targets. Cross-check streptozocin pharmacophore against malignant_mesothelioma pathway. terlipressin hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking terlipressin vs hepatitis_b targets. Cross-check terlipressin pharmacophore against hepatitis_b pathway. theophylline alopecia_areata GAP_LOW 0.1015 0.0 hydrocortisone Low-priority: Computational docking theophylline vs alopecia_areata targets. Cross-check theophylline pharmacophore against alopecia_areata pathway. tolazoline alcohol_dependence GAP_LOW 0.1015 0.0 midazolam Low-priority: Computational docking tolazoline vs alcohol_dependence targets. Cross-check tolazoline pharmacophore against alcohol_dependence pathway. treprostinil hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking treprostinil vs hepatitis_b targets. Cross-check treprostinil pharmacophore against hepatitis_b pathway. vapreotide hepatitis_b GAP_LOW 0.1015 0.0 mitiglinide Low-priority: Computational docking vapreotide vs hepatitis_b targets. Cross-check vapreotide pharmacophore against hepatitis_b pathway. pseudoephedrine urinary_bladder_cancer GAP_HIGH 0.1014 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) liothyronine systemic_scleroderma GAP_HIGH 0.1014 0.2222222222222222 isocarboxazid High-priority: Binding assay liothyronine→?; validate in systemic_scleroderma cell model. Expected: similar to isocarboxazid (Jaccard=0.22) mazindol nephrolithiasis GAP_HIGH 0.1014 0.2 polythiazide High-priority: Binding assay mazindol→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.20) mazindol refractive_error GAP_HIGH 0.1014 0.2 polythiazide High-priority: Binding assay mazindol→?; validate in refractive_error cell model. Expected: similar to polythiazide (Jaccard=0.20) prochlorperazine thyroid_cancer GAP_HIGH 0.1014 0.2 isopropamide High-priority: Binding assay prochlorperazine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) procaine mediastinal_cancer GAP_HIGH 0.1014 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in mediastinal_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) diphemanil_methylsulfate hepatitis_b GAP_HIGH 0.1014 0.15384615384615385 alvimopan High-priority: Binding assay diphemanil_methylsulfate→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.15) oxazepam pharynx_cancer GAP_LOW 0.1014 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs pharynx_cancer targets. Cross-check oxazepam pharmacophore against pharynx_cancer pathway. adenosine_triphosphate melanoma GAP_LOW 0.1014 0.1388888888888889 entecavir Low-priority: Computational docking adenosine_triphosphate vs melanoma targets. Cross-check adenosine_triphosphate pharmacophore against melanoma pathway. procaine esophageal_cancer GAP_LOW 0.1014 0.125 fludrocortisone Low-priority: Computational docking procaine vs esophageal_cancer targets. Cross-check procaine pharmacophore against esophageal_cancer pathway. indapamide pancreatitis GAP_LOW 0.1014 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs pancreatitis targets. Cross-check indapamide pharmacophore against pancreatitis pathway. dimetindene pharynx_cancer GAP_LOW 0.1014 0.12 methadone Low-priority: Computational docking dimetindene vs pharynx_cancer targets. Cross-check dimetindene pharmacophore against pharynx_cancer pathway. aspartame malignant_mesothelioma GAP_LOW 0.1014 0.10526315789473684 trimipramine Low-priority: Computational docking aspartame vs malignant_mesothelioma targets. Cross-check aspartame pharmacophore against malignant_mesothelioma pathway. ramipril glaucoma GAP_LOW 0.1014 0.10526315789473684 sotalol Low-priority: Computational docking ramipril vs glaucoma targets. Cross-check ramipril pharmacophore against glaucoma pathway. aspartame celiac_disease GAP_LOW 0.1014 0.09523809523809523 fentanyl Low-priority: Computational docking aspartame vs celiac_disease targets. Cross-check aspartame pharmacophore against celiac_disease pathway. ospemifene autistic_disorder GAP_LOW 0.1014 0.09523809523809523 phenoxybenzamine Low-priority: Computational docking ospemifene vs autistic_disorder targets. Cross-check ospemifene pharmacophore against autistic_disorder pathway. ospemifene nicotine_dependence GAP_LOW 0.1014 0.09523809523809523 phenoxybenzamine Low-priority: Computational docking ospemifene vs nicotine_dependence targets. Cross-check ospemifene pharmacophore against nicotine_dependence pathway. alitretinoin idiopathic_pulmonary_fibrosis GAP_LOW 0.1014 0.08333333333333333 dopamine Low-priority: Computational docking alitretinoin vs idiopathic_pulmonary_fibrosis targets. Cross-check alitretinoin pharmacophore against idiopathic_pulmonary_fibrosis pathway. flurazepam hematologic_cancer GAP_LOW 0.1014 0.08333333333333333 streptozocin Low-priority: Computational docking flurazepam vs hematologic_cancer targets. Cross-check flurazepam pharmacophore against hematologic_cancer pathway. pralatrexate idiopathic_pulmonary_fibrosis GAP_LOW 0.1014 0.08333333333333333 epinephrine Low-priority: Computational docking pralatrexate vs idiopathic_pulmonary_fibrosis targets. Cross-check pralatrexate pharmacophore against idiopathic_pulmonary_fibrosis pathway. ramipril malaria GAP_LOW 0.1014 0.07692307692307693 sulfapyridine Low-priority: Computational docking ramipril vs malaria targets. Cross-check ramipril pharmacophore against malaria pathway. diclofenamide muscle_cancer GAP_LOW 0.1014 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs muscle_cancer targets. Cross-check diclofenamide pharmacophore against muscle_cancer pathway. fluspirilene kidney_cancer GAP_LOW 0.1014 0.07142857142857142 proparacaine Low-priority: Computational docking fluspirilene vs kidney_cancer targets. Cross-check fluspirilene pharmacophore against kidney_cancer pathway. fluspirilene nephrolithiasis GAP_LOW 0.1014 0.07142857142857142 proparacaine Low-priority: Computational docking fluspirilene vs nephrolithiasis targets. Cross-check fluspirilene pharmacophore against nephrolithiasis pathway. telbivudine restless_legs_syndrome GAP_LOW 0.1014 0.07142857142857142 chloroprocaine Low-priority: Computational docking telbivudine vs restless_legs_syndrome targets. Cross-check telbivudine pharmacophore against restless_legs_syndrome pathway. fluspirilene brain_cancer GAP_LOW 0.1014 0.06666666666666667 levorphanol Low-priority: Computational docking fluspirilene vs brain_cancer targets. Cross-check fluspirilene pharmacophore against brain_cancer pathway. vitamin_a gout GAP_LOW 0.1014 0.058823529411764705 gliclazide Low-priority: Computational docking vitamin_a vs gout targets. Cross-check vitamin_a pharmacophore against gout pathway. lenalidomide kidney_cancer GAP_LOW 0.1014 0.05 quinacrine Low-priority: Computational docking lenalidomide vs kidney_cancer targets. Cross-check lenalidomide pharmacophore against kidney_cancer pathway. azelastine bone_cancer GAP_LOW 0.1014 0.045454545454545456 alendronate Low-priority: Computational docking azelastine vs bone_cancer targets. Cross-check azelastine pharmacophore against bone_cancer pathway. propranolol ovarian_cancer GAP_HIGH 0.1013 0.25 butenafine High-priority: Binding assay propranolol→?; validate in ovarian_cancer cell model. Expected: similar to butenafine (Jaccard=0.25) bezafibrate epilepsy_syndrome GAP_HIGH 0.1013 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in epilepsy_syndrome cell model. Expected: similar to bromfenac (Jaccard=0.24) desipramine pancreatitis GAP_HIGH 0.1013 0.2222222222222222 trimipramine High-priority: Binding assay desipramine→?; validate in pancreatitis cell model. Expected: similar to trimipramine (Jaccard=0.22) nateglinide celiac_disease GAP_HIGH 0.1013 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in celiac_disease cell model. Expected: similar to etoricoxib (Jaccard=0.22) phenylbutazone malaria GAP_HIGH 0.1013 0.21875 phenytoin High-priority: Binding assay phenylbutazone→?; validate in malaria cell model. Expected: similar to phenytoin (Jaccard=0.22) ethinyl_estradiol alzheimers_disease GAP_HIGH 0.1013 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.21) desipramine penile_cancer GAP_HIGH 0.1013 0.2 vincristine High-priority: Binding assay desipramine→?; validate in penile_cancer cell model. Expected: similar to vincristine (Jaccard=0.20) phenelzine duodenum_cancer GAP_HIGH 0.1013 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) phenelzine gallbladder_cancer GAP_HIGH 0.1013 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) phenelzine melanoma GAP_HIGH 0.1013 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.20) buclizine mediastinal_cancer GAP_HIGH 0.1013 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in mediastinal_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) l-histidine lung_cancer GAP_HIGH 0.1013 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in lung_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) l-histidine rectum_cancer GAP_HIGH 0.1013 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in rectum_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) tolterodine salivary_gland_cancer GAP_HIGH 0.1013 0.16666666666666666 methadone High-priority: Binding assay tolterodine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.17) procaine thymus_cancer GAP_HIGH 0.1013 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in thymus_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) aceprometazine meningioma GAP_HIGH 0.1013 0.15789473684210525 fentanyl High-priority: Binding assay aceprometazine→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.16) phenindamine penile_cancer GAP_LOW 0.1013 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs penile_cancer targets. Cross-check phenindamine pharmacophore against penile_cancer pathway. trandolapril head_and_neck_cancer GAP_LOW 0.1013 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs head_and_neck_cancer targets. Cross-check trandolapril pharmacophore against head_and_neck_cancer pathway. trandolapril malignant_glioma GAP_LOW 0.1013 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs malignant_glioma targets. Cross-check trandolapril pharmacophore against malignant_glioma pathway. tripelennamine meningioma GAP_LOW 0.1013 0.11538461538461539 methadone Low-priority: Computational docking tripelennamine vs meningioma targets. Cross-check tripelennamine pharmacophore against meningioma pathway. methadyl_acetate glaucoma GAP_LOW 0.1013 0.1111111111111111 metaraminol Low-priority: Computational docking methadyl_acetate vs glaucoma targets. Cross-check methadyl_acetate pharmacophore against glaucoma pathway. phenindamine atherosclerosis GAP_LOW 0.1013 0.1 phentermine Low-priority: Computational docking phenindamine vs atherosclerosis targets. Cross-check phenindamine pharmacophore against atherosclerosis pathway. vidarabine head_and_neck_cancer GAP_LOW 0.1013 0.09090909090909091 methotrexate Low-priority: Computational docking vidarabine vs head_and_neck_cancer targets. Cross-check vidarabine pharmacophore against head_and_neck_cancer pathway. vidarabine malignant_glioma GAP_LOW 0.1013 0.09090909090909091 methotrexate Low-priority: Computational docking vidarabine vs malignant_glioma targets. Cross-check vidarabine pharmacophore against malignant_glioma pathway. nandrolone_phenpropionate narcolepsy GAP_LOW 0.1013 0.08333333333333333 carbinoxamine Low-priority: Computational docking nandrolone_phenpropionate vs narcolepsy targets. Cross-check nandrolone_phenpropionate pharmacophore against narcolepsy pathway. diclofenamide lung_cancer GAP_LOW 0.1013 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs lung_cancer targets. Cross-check diclofenamide pharmacophore against lung_cancer pathway. diclofenamide rectum_cancer GAP_LOW 0.1013 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs rectum_cancer targets. Cross-check diclofenamide pharmacophore against rectum_cancer pathway. etonogestrel chronic_kidney_failure GAP_LOW 0.1013 0.07142857142857142 clotrimazole Low-priority: Computational docking etonogestrel vs chronic_kidney_failure targets. Cross-check etonogestrel pharmacophore against chronic_kidney_failure pathway. alfacalcidol crohns_disease GAP_LOW 0.1013 0.06666666666666667 anileridine Low-priority: Computational docking alfacalcidol vs crohns_disease targets. Cross-check alfacalcidol pharmacophore against crohns_disease pathway. furosemide gilles_de_la_tourette_syndrome GAP_LOW 0.1013 0.0625 ifenprodil Low-priority: Computational docking furosemide vs gilles_de_la_tourette_syndrome targets. Cross-check furosemide pharmacophore against gilles_de_la_tourette_syndrome pathway. pargyline bone_cancer GAP_LOW 0.1013 0.0625 alendronate Low-priority: Computational docking pargyline vs bone_cancer targets. Cross-check pargyline pharmacophore against bone_cancer pathway. imatinib germ_cell_cancer GAP_LOW 0.1013 0.06060606060606061 etoricoxib Low-priority: Computational docking imatinib vs germ_cell_cancer targets. Cross-check imatinib pharmacophore against germ_cell_cancer pathway. cinchocaine head_and_neck_cancer GAP_LOW 0.1013 0.047619047619047616 topotecan Low-priority: Computational docking cinchocaine vs head_and_neck_cancer targets. Cross-check cinchocaine pharmacophore against head_and_neck_cancer pathway. cinchocaine malignant_glioma GAP_LOW 0.1013 0.047619047619047616 topotecan Low-priority: Computational docking cinchocaine vs malignant_glioma targets. Cross-check cinchocaine pharmacophore against malignant_glioma pathway. moricizine leprosy GAP_LOW 0.1013 0.0425531914893617 phensuximide Low-priority: Computational docking moricizine vs leprosy targets. Cross-check moricizine pharmacophore against leprosy pathway. l-serine leprosy GAP_LOW 0.1013 0.01020408163265306 phensuximide Low-priority: Computational docking l-serine vs leprosy targets. Cross-check l-serine pharmacophore against leprosy pathway. adinazolam acquired_immunodeficiency_syndrome GAP_LOW 0.1013 0.0 mitiglinide Low-priority: Computational docking adinazolam vs acquired_immunodeficiency_syndrome targets. Cross-check adinazolam pharmacophore against acquired_immunodeficiency_syndrome pathway. aprindine leprosy GAP_LOW 0.1013 0.0 sulfapyridine Low-priority: Computational docking aprindine vs leprosy targets. Cross-check aprindine pharmacophore against leprosy pathway. gefitinib leprosy GAP_LOW 0.1013 0.0 sulfapyridine Low-priority: Computational docking gefitinib vs leprosy targets. Cross-check gefitinib pharmacophore against leprosy pathway. methamphetamine leprosy GAP_LOW 0.1013 0.0 sulfapyridine Low-priority: Computational docking methamphetamine vs leprosy targets. Cross-check methamphetamine pharmacophore against leprosy pathway. paricalcitol acquired_immunodeficiency_syndrome GAP_LOW 0.1013 0.0 mitiglinide Low-priority: Computational docking paricalcitol vs acquired_immunodeficiency_syndrome targets. Cross-check paricalcitol pharmacophore against acquired_immunodeficiency_syndrome pathway. chlorprothixene sarcoma GAP_HIGH 0.1012 0.2647058823529412 phenytoin High-priority: Binding assay chlorprothixene→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.26) l-tyrosine primary_biliary_cirrhosis GAP_HIGH 0.1012 0.23333333333333334 melphalan High-priority: Binding assay l-tyrosine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.23) ethinyl_estradiol nicotine_dependence GAP_HIGH 0.1012 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.21) propafenone colon_cancer GAP_HIGH 0.1012 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in colon_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) sunitinib nicotine_dependence GAP_HIGH 0.1012 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.19) acetylsalicylic_acid refractive_error GAP_HIGH 0.1012 0.18181818181818182 clonidine High-priority: Binding assay acetylsalicylic_acid→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.18) bethanidine germ_cell_cancer GAP_HIGH 0.1012 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) adenosine_monophosphate melanoma GAP_HIGH 0.1012 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in melanoma cell model. Expected: similar to entecavir (Jaccard=0.16) adenosine_monophosphate prostate_cancer GAP_LOW 0.1012 0.14754098360655737 lamivudine Low-priority: Computational docking adenosine_monophosphate vs prostate_cancer targets. Cross-check adenosine_monophosphate pharmacophore against prostate_cancer pathway. sunitinib glaucoma GAP_LOW 0.1012 0.14285714285714285 dinoprost_tromethamine Low-priority: Computational docking sunitinib vs glaucoma targets. Cross-check sunitinib pharmacophore against glaucoma pathway. adenine metabolic_syndrome_x GAP_LOW 0.1012 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs metabolic_syndrome_x targets. Cross-check adenine pharmacophore against metabolic_syndrome_x pathway. indapamide muscle_cancer GAP_LOW 0.1012 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs muscle_cancer targets. Cross-check indapamide pharmacophore against muscle_cancer pathway. mepyramine ocular_cancer GAP_LOW 0.1012 0.11764705882352941 sotalol Low-priority: Computational docking mepyramine vs ocular_cancer targets. Cross-check mepyramine pharmacophore against ocular_cancer pathway. trandolapril nephrolithiasis GAP_LOW 0.1012 0.11764705882352941 doxorubicin Low-priority: Computational docking trandolapril vs nephrolithiasis targets. Cross-check trandolapril pharmacophore against nephrolithiasis pathway. alitretinoin osteoporosis GAP_LOW 0.1012 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs osteoporosis targets. Cross-check alitretinoin pharmacophore against osteoporosis pathway. methyltestosterone membranous_glomerulonephritis GAP_LOW 0.1012 0.1 bumetanide Low-priority: Computational docking methyltestosterone vs membranous_glomerulonephritis targets. Cross-check methyltestosterone pharmacophore against membranous_glomerulonephritis pathway. furosemide mediastinal_cancer GAP_LOW 0.1012 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs mediastinal_cancer targets. Cross-check furosemide pharmacophore against mediastinal_cancer pathway. methyltestosterone refractive_error GAP_LOW 0.1012 0.09090909090909091 dinoprost_tromethamine Low-priority: Computational docking methyltestosterone vs refractive_error targets. Cross-check methyltestosterone pharmacophore against refractive_error pathway. nandrolone_phenpropionate epilepsy_syndrome GAP_LOW 0.1012 0.09090909090909091 aprindine Low-priority: Computational docking nandrolone_phenpropionate vs epilepsy_syndrome targets. Cross-check nandrolone_phenpropionate pharmacophore against epilepsy_syndrome pathway. chlorphenesin germ_cell_cancer GAP_LOW 0.1012 0.08333333333333333 fluticasone_propionate Low-priority: Computational docking chlorphenesin vs germ_cell_cancer targets. Cross-check chlorphenesin pharmacophore against germ_cell_cancer pathway. entecavir celiac_disease GAP_LOW 0.1012 0.08333333333333333 tioguanine Low-priority: Computational docking entecavir vs celiac_disease targets. Cross-check entecavir pharmacophore against celiac_disease pathway. phenmetrazine glaucoma GAP_LOW 0.1012 0.08 bevantolol Low-priority: Computational docking phenmetrazine vs glaucoma targets. Cross-check phenmetrazine pharmacophore against glaucoma pathway. alprazolam penile_cancer GAP_LOW 0.1012 0.07692307692307693 phenylbutazone Low-priority: Computational docking alprazolam vs penile_cancer targets. Cross-check alprazolam pharmacophore against penile_cancer pathway. anisotropine_methylbromide focal_segmental_glomerulosclerosis GAP_LOW 0.1012 0.07692307692307693 calcium_acetate Low-priority: Computational docking anisotropine_methylbromide vs focal_segmental_glomerulosclerosis targets. Cross-check anisotropine_methylbromide pharmacophore against focal_segmental_glomerulosclerosis pathway. lenalidomide duodenum_cancer GAP_LOW 0.1012 0.07692307692307693 l-dopa Low-priority: Computational docking lenalidomide vs duodenum_cancer targets. Cross-check lenalidomide pharmacophore against duodenum_cancer pathway. lenalidomide gallbladder_cancer GAP_LOW 0.1012 0.07692307692307693 l-dopa Low-priority: Computational docking lenalidomide vs gallbladder_cancer targets. Cross-check lenalidomide pharmacophore against gallbladder_cancer pathway. medroxyprogesterone_acetate gilles_de_la_tourette_syndrome GAP_LOW 0.1012 0.07142857142857142 clotrimazole Low-priority: Computational docking medroxyprogesterone_acetate vs gilles_de_la_tourette_syndrome targets. Cross-check medroxyprogesterone_acetate pharmacophore against gilles_de_la_tourette_syndrome pathway. zafirlukast pharynx_cancer GAP_LOW 0.1012 0.06666666666666667 aspartame Low-priority: Computational docking zafirlukast vs pharynx_cancer targets. Cross-check zafirlukast pharmacophore against pharynx_cancer pathway. dipivefrin chronic_kidney_failure GAP_LOW 0.1012 0.0625 salsalate Low-priority: Computational docking dipivefrin vs chronic_kidney_failure targets. Cross-check dipivefrin pharmacophore against chronic_kidney_failure pathway. salbutamol hepatitis_b GAP_LOW 0.1012 0.05 ribavirin Low-priority: Computational docking salbutamol vs hepatitis_b targets. Cross-check salbutamol pharmacophore against hepatitis_b pathway. fludiazepam gestational_diabetes GAP_LOW 0.1012 0.041666666666666664 glisoxepide Low-priority: Computational docking fludiazepam vs gestational_diabetes targets. Cross-check fludiazepam pharmacophore against gestational_diabetes pathway. gliclazide brain_cancer GAP_LOW 0.1012 0.0 hydrocortisone Low-priority: Computational docking gliclazide vs brain_cancer targets. Cross-check gliclazide pharmacophore against brain_cancer pathway. loratadine brain_cancer GAP_LOW 0.1012 0.0 hydrocortisone Low-priority: Computational docking loratadine vs brain_cancer targets. Cross-check loratadine pharmacophore against brain_cancer pathway. loratadine intracranial_aneurysm GAP_LOW 0.1012 0.0 hydrocortisone Low-priority: Computational docking loratadine vs intracranial_aneurysm targets. Cross-check loratadine pharmacophore against intracranial_aneurysm pathway. tolazamide brain_cancer GAP_LOW 0.1012 0.0 hydrocortisone Low-priority: Computational docking tolazamide vs brain_cancer targets. Cross-check tolazamide pharmacophore against brain_cancer pathway. methdilazine mediastinal_cancer GAP_HIGH 0.1011 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) propericiazine sclerosing_cholangitis GAP_HIGH 0.1011 0.23529411764705882 temazepam High-priority: Binding assay propericiazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.24) methotrexate autistic_disorder GAP_HIGH 0.1011 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) methotrexate nicotine_dependence GAP_HIGH 0.1011 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in nicotine_dependence cell model. Expected: similar to l-arginine (Jaccard=0.20) propafenone stomach_cancer GAP_HIGH 0.1011 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in stomach_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) propafenone rectum_cancer GAP_HIGH 0.1011 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in rectum_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) buclizine thymus_cancer GAP_HIGH 0.1011 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in thymus_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) l-histidine liver_cancer GAP_HIGH 0.1011 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in liver_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) floctafenine salivary_gland_cancer GAP_HIGH 0.1011 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in salivary_gland_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) desipramine lymphatic_system_cancer GAP_LOW 0.1011 0.14285714285714285 aciclovir Low-priority: Computational docking desipramine vs lymphatic_system_cancer targets. Cross-check desipramine pharmacophore against lymphatic_system_cancer pathway. flurandrenolide chronic_kidney_failure GAP_LOW 0.1011 0.14285714285714285 floctafenine Low-priority: Computational docking flurandrenolide vs chronic_kidney_failure targets. Cross-check flurandrenolide pharmacophore against chronic_kidney_failure pathway. melphalan hepatitis_b GAP_LOW 0.1011 0.125 mitiglinide Low-priority: Computational docking melphalan vs hepatitis_b targets. Cross-check melphalan pharmacophore against hepatitis_b pathway. sulfamethizole creutzfeldt-jakob_disease GAP_LOW 0.1011 0.1111111111111111 meclizine Low-priority: Computational docking sulfamethizole vs creutzfeldt-jakob_disease targets. Cross-check sulfamethizole pharmacophore against creutzfeldt-jakob_disease pathway. furosemide thymus_cancer GAP_LOW 0.1011 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs thymus_cancer targets. Cross-check furosemide pharmacophore against thymus_cancer pathway. tretinoin alzheimers_disease GAP_LOW 0.1011 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs alzheimers_disease targets. Cross-check tretinoin pharmacophore against alzheimers_disease pathway. zidovudine penile_cancer GAP_LOW 0.1011 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs penile_cancer targets. Cross-check zidovudine pharmacophore against penile_cancer pathway. enalapril azoospermia GAP_LOW 0.1011 0.08695652173913043 propafenone Low-priority: Computational docking enalapril vs azoospermia targets. Cross-check enalapril pharmacophore against azoospermia pathway. regadenoson psoriasis GAP_LOW 0.1011 0.08333333333333333 tetrahydrofolic_acid Low-priority: Computational docking regadenoson vs psoriasis targets. Cross-check regadenoson pharmacophore against psoriasis pathway. imatinib narcolepsy GAP_LOW 0.1011 0.075 acetylsalicylic_acid Low-priority: Computational docking imatinib vs narcolepsy targets. Cross-check imatinib pharmacophore against narcolepsy pathway. dipivefrin penile_cancer GAP_LOW 0.1011 0.07142857142857142 ifenprodil Low-priority: Computational docking dipivefrin vs penile_cancer targets. Cross-check dipivefrin pharmacophore against penile_cancer pathway. tripelennamine hepatitis_b GAP_LOW 0.1011 0.07142857142857142 trandolapril Low-priority: Computational docking tripelennamine vs hepatitis_b targets. Cross-check tripelennamine pharmacophore against hepatitis_b pathway. cabazitaxel alcohol_dependence GAP_LOW 0.1011 0.058823529411764705 levorphanol Low-priority: Computational docking cabazitaxel vs alcohol_dependence targets. Cross-check cabazitaxel pharmacophore against alcohol_dependence pathway. clonazepam type_1_diabetes_mellitus GAP_LOW 0.1011 0.05 atropine Low-priority: Computational docking clonazepam vs type_1_diabetes_mellitus targets. Cross-check clonazepam pharmacophore against type_1_diabetes_mellitus pathway. terbutaline acquired_immunodeficiency_syndrome GAP_LOW 0.1011 0.041666666666666664 vidarabine Low-priority: Computational docking terbutaline vs acquired_immunodeficiency_syndrome targets. Cross-check terbutaline pharmacophore against acquired_immunodeficiency_syndrome pathway. pomalidomide chronic_kidney_failure GAP_LOW 0.1011 0.038461538461538464 acetylsalicylic_acid Low-priority: Computational docking pomalidomide vs chronic_kidney_failure targets. Cross-check pomalidomide pharmacophore against chronic_kidney_failure pathway. methdilazine sclerosing_cholangitis GAP_HIGH 0.101 0.25 chlordiazepoxide High-priority: Binding assay methdilazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to chlordiazepoxide (Jaccard=0.25) methdilazine thymus_cancer GAP_HIGH 0.101 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) liothyronine type_2_diabetes_mellitus GAP_HIGH 0.101 0.2222222222222222 isocarboxazid High-priority: Binding assay liothyronine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to isocarboxazid (Jaccard=0.22) acetophenazine ocular_cancer GAP_HIGH 0.101 0.2 metaraminol High-priority: Binding assay acetophenazine→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.20) propiomazine hematologic_cancer GAP_HIGH 0.101 0.2 isopropamide High-priority: Binding assay propiomazine→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) propafenone ulcerative_colitis GAP_HIGH 0.101 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in ulcerative_colitis cell model. Expected: similar to trimipramine (Jaccard=0.19) propafenone liver_cancer GAP_HIGH 0.101 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in liver_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) buclizine coronary_artery_disease GAP_HIGH 0.101 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in coronary_artery_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) fenoprofen alcohol_dependence GAP_HIGH 0.101 0.16666666666666666 mazindol High-priority: Binding assay fenoprofen→?; validate in alcohol_dependence cell model. Expected: similar to mazindol (Jaccard=0.17) tolterodine ocular_cancer GAP_HIGH 0.101 0.16666666666666666 methadone High-priority: Binding assay tolterodine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.17) chloroprocaine pharynx_cancer GAP_HIGH 0.101 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) floctafenine muscle_cancer GAP_HIGH 0.101 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in muscle_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) teniposide metabolic_syndrome_x GAP_HIGH 0.101 0.15384615384615385 voacamine High-priority: Binding assay teniposide→?; validate in metabolic_syndrome_x cell model. Expected: similar to voacamine (Jaccard=0.15) lapatinib atopic_dermatitis GAP_LOW 0.101 0.14285714285714285 medroxyprogesterone_acetate Low-priority: Computational docking lapatinib vs atopic_dermatitis targets. Cross-check lapatinib pharmacophore against atopic_dermatitis pathway. ketoprofen chronic_kidney_failure GAP_LOW 0.101 0.13333333333333333 tiaprofenic_acid Low-priority: Computational docking ketoprofen vs chronic_kidney_failure targets. Cross-check ketoprofen pharmacophore against chronic_kidney_failure pathway. pazopanib esophageal_cancer GAP_LOW 0.101 0.13333333333333333 docetaxel Low-priority: Computational docking pazopanib vs esophageal_cancer targets. Cross-check pazopanib pharmacophore against esophageal_cancer pathway. butenafine brain_cancer GAP_LOW 0.101 0.125 epirubicin Low-priority: Computational docking butenafine vs brain_cancer targets. Cross-check butenafine pharmacophore against brain_cancer pathway. butenafine intracranial_aneurysm GAP_LOW 0.101 0.125 epirubicin Low-priority: Computational docking butenafine vs intracranial_aneurysm targets. Cross-check butenafine pharmacophore against intracranial_aneurysm pathway. fulvestrant chronic_kidney_failure GAP_LOW 0.101 0.125 clotrimazole Low-priority: Computational docking fulvestrant vs chronic_kidney_failure targets. Cross-check fulvestrant pharmacophore against chronic_kidney_failure pathway. tolmetin urinary_bladder_cancer GAP_LOW 0.101 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs urinary_bladder_cancer targets. Cross-check tolmetin pharmacophore against urinary_bladder_cancer pathway. buclizine atherosclerosis GAP_LOW 0.101 0.12121212121212122 phenelzine Low-priority: Computational docking buclizine vs atherosclerosis targets. Cross-check buclizine pharmacophore against atherosclerosis pathway. indapamide lung_cancer GAP_LOW 0.101 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs lung_cancer targets. Cross-check indapamide pharmacophore against lung_cancer pathway. lisinopril head_and_neck_cancer GAP_LOW 0.101 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs head_and_neck_cancer targets. Cross-check lisinopril pharmacophore against head_and_neck_cancer pathway. lisinopril malignant_glioma GAP_LOW 0.101 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs malignant_glioma targets. Cross-check lisinopril pharmacophore against malignant_glioma pathway. mepyramine salivary_gland_cancer GAP_LOW 0.101 0.11538461538461539 diphenylpyraline Low-priority: Computational docking mepyramine vs salivary_gland_cancer targets. Cross-check mepyramine pharmacophore against salivary_gland_cancer pathway. anisotropine_methylbromide narcolepsy GAP_LOW 0.101 0.1 nitrazepam Low-priority: Computational docking anisotropine_methylbromide vs narcolepsy targets. Cross-check anisotropine_methylbromide pharmacophore against narcolepsy pathway. desogestrel creutzfeldt-jakob_disease GAP_LOW 0.101 0.09090909090909091 raloxifene Low-priority: Computational docking desogestrel vs creutzfeldt-jakob_disease targets. Cross-check desogestrel pharmacophore against creutzfeldt-jakob_disease pathway. selegiline membranous_glomerulonephritis GAP_LOW 0.101 0.09090909090909091 moricizine Low-priority: Computational docking selegiline vs membranous_glomerulonephritis targets. Cross-check selegiline pharmacophore against membranous_glomerulonephritis pathway. tretinoin amyotrophic_lateral_sclerosis GAP_LOW 0.101 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs amyotrophic_lateral_sclerosis targets. Cross-check tretinoin pharmacophore against amyotrophic_lateral_sclerosis pathway. tretinoin parkinsons_disease GAP_LOW 0.101 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs parkinsons_disease targets. Cross-check tretinoin pharmacophore against parkinsons_disease pathway. dihydrotachysterol multiple_sclerosis GAP_LOW 0.101 0.08333333333333333 ketorolac Low-priority: Computational docking dihydrotachysterol vs multiple_sclerosis targets. Cross-check dihydrotachysterol pharmacophore against multiple_sclerosis pathway. salbutamol penile_cancer GAP_LOW 0.101 0.08333333333333333 mesalazine Low-priority: Computational docking salbutamol vs penile_cancer targets. Cross-check salbutamol pharmacophore against penile_cancer pathway. alprazolam malignant_mesothelioma GAP_LOW 0.101 0.07692307692307693 phenylbutazone Low-priority: Computational docking alprazolam vs malignant_mesothelioma targets. Cross-check alprazolam pharmacophore against malignant_mesothelioma pathway. buclizine alcohol_dependence GAP_LOW 0.101 0.07272727272727272 mazindol Low-priority: Computational docking buclizine vs alcohol_dependence targets. Cross-check buclizine pharmacophore against alcohol_dependence pathway. ceruletide restless_legs_syndrome GAP_LOW 0.101 0.0625 prednisone Low-priority: Computational docking ceruletide vs restless_legs_syndrome targets. Cross-check ceruletide pharmacophore against restless_legs_syndrome pathway. fluspirilene esophageal_cancer GAP_LOW 0.101 0.058823529411764705 toremifene Low-priority: Computational docking fluspirilene vs esophageal_cancer targets. Cross-check fluspirilene pharmacophore against esophageal_cancer pathway. codeine lymphatic_system_cancer GAP_LOW 0.101 0.0 vinblastine Low-priority: Computational docking codeine vs lymphatic_system_cancer targets. Cross-check codeine pharmacophore against lymphatic_system_cancer pathway. cytarabine atherosclerosis GAP_LOW 0.101 0.0 fenoprofen Low-priority: Computational docking cytarabine vs atherosclerosis targets. Cross-check cytarabine pharmacophore against atherosclerosis pathway. phenylbutazone ulcerative_colitis GAP_HIGH 0.1009 0.3125 oxcarbazepine High-priority: Binding assay phenylbutazone→?; validate in ulcerative_colitis cell model. Expected: similar to oxcarbazepine (Jaccard=0.31) methotrexate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1009 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) salicylic_acid muscle_cancer GAP_HIGH 0.1009 0.2 l-tryptophan High-priority: Binding assay salicylic_acid→?; validate in muscle_cancer cell model. Expected: similar to l-tryptophan (Jaccard=0.20) propafenone ovarian_cancer GAP_HIGH 0.1009 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in ovarian_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) triflupromazine gilles_de_la_tourette_syndrome GAP_HIGH 0.1009 0.18181818181818182 methotrimeprazine High-priority: Binding assay triflupromazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to methotrimeprazine (Jaccard=0.18) bepridil glaucoma GAP_HIGH 0.1009 0.16666666666666666 decamethonium High-priority: Binding assay bepridil→?; validate in glaucoma cell model. Expected: similar to decamethonium (Jaccard=0.17) l-histidine urinary_bladder_cancer GAP_HIGH 0.1009 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in urinary_bladder_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) afatinib restless_legs_syndrome GAP_HIGH 0.1009 0.16 acetylsalicylic_acid High-priority: Binding assay afatinib→?; validate in restless_legs_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) floctafenine lung_cancer GAP_HIGH 0.1009 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in lung_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine rectum_cancer GAP_HIGH 0.1009 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in rectum_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) paclitaxel chronic_kidney_failure GAP_LOW 0.1009 0.14285714285714285 ergocalciferol Low-priority: Computational docking paclitaxel vs chronic_kidney_failure targets. Cross-check paclitaxel pharmacophore against chronic_kidney_failure pathway. dextroamphetamine chronic_kidney_failure GAP_LOW 0.1009 0.13043478260869565 trimipramine Low-priority: Computational docking dextroamphetamine vs chronic_kidney_failure targets. Cross-check dextroamphetamine pharmacophore against chronic_kidney_failure pathway. adenosine_triphosphate prostate_cancer GAP_LOW 0.1009 0.1282051282051282 lamivudine Low-priority: Computational docking adenosine_triphosphate vs prostate_cancer targets. Cross-check adenosine_triphosphate pharmacophore against prostate_cancer pathway. vindesine crohns_disease GAP_LOW 0.1009 0.125 epinastine Low-priority: Computational docking vindesine vs crohns_disease targets. Cross-check vindesine pharmacophore against crohns_disease pathway. indapamide alzheimers_disease GAP_LOW 0.1009 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs alzheimers_disease targets. Cross-check indapamide pharmacophore against alzheimers_disease pathway. indapamide parkinsons_disease GAP_LOW 0.1009 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs parkinsons_disease targets. Cross-check indapamide pharmacophore against parkinsons_disease pathway. glucosamine gout GAP_LOW 0.1009 0.12 methotrexate Low-priority: Computational docking glucosamine vs gout targets. Cross-check glucosamine pharmacophore against gout pathway. naproxen hepatitis_b GAP_LOW 0.1009 0.10526315789473684 alvimopan Low-priority: Computational docking naproxen vs hepatitis_b targets. Cross-check naproxen pharmacophore against hepatitis_b pathway. enalapril mediastinal_cancer GAP_LOW 0.1009 0.1 doxorubicin Low-priority: Computational docking enalapril vs mediastinal_cancer targets. Cross-check enalapril pharmacophore against mediastinal_cancer pathway. estazolam idiopathic_pulmonary_fibrosis GAP_LOW 0.1009 0.1 cetirizine Low-priority: Computational docking estazolam vs idiopathic_pulmonary_fibrosis targets. Cross-check estazolam pharmacophore against idiopathic_pulmonary_fibrosis pathway. sotalol kidney_cancer GAP_LOW 0.1009 0.1 tolazamide Low-priority: Computational docking sotalol vs kidney_cancer targets. Cross-check sotalol pharmacophore against kidney_cancer pathway. zidovudine malignant_mesothelioma GAP_LOW 0.1009 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs malignant_mesothelioma targets. Cross-check zidovudine pharmacophore against malignant_mesothelioma pathway. dipivefrin malignant_mesothelioma GAP_LOW 0.1009 0.07142857142857142 ifenprodil Low-priority: Computational docking dipivefrin vs malignant_mesothelioma targets. Cross-check dipivefrin pharmacophore against malignant_mesothelioma pathway. erlotinib alcohol_dependence GAP_LOW 0.1009 0.06666666666666667 naloxone Low-priority: Computational docking erlotinib vs alcohol_dependence targets. Cross-check erlotinib pharmacophore against alcohol_dependence pathway. alvimopan leprosy GAP_LOW 0.1009 0.022727272727272728 phensuximide Low-priority: Computational docking alvimopan vs leprosy targets. Cross-check alvimopan pharmacophore against leprosy pathway. anisindione bone_cancer GAP_LOW 0.1009 0.0 ibandronate Low-priority: Computational docking anisindione vs bone_cancer targets. Cross-check anisindione pharmacophore against bone_cancer pathway. anisindione gestational_diabetes GAP_LOW 0.1009 0.0 tolazamide Low-priority: Computational docking anisindione vs gestational_diabetes targets. Cross-check anisindione pharmacophore against gestational_diabetes pathway. dimetindene bone_cancer GAP_LOW 0.1009 0.0 ibandronate Low-priority: Computational docking dimetindene vs bone_cancer targets. Cross-check dimetindene pharmacophore against bone_cancer pathway. dimetindene gestational_diabetes GAP_LOW 0.1009 0.0 tolazamide Low-priority: Computational docking dimetindene vs gestational_diabetes targets. Cross-check dimetindene pharmacophore against gestational_diabetes pathway. linaclotide creutzfeldt-jakob_disease GAP_LOW 0.1009 0.0 loxapine Low-priority: Computational docking linaclotide vs creutzfeldt-jakob_disease targets. Cross-check linaclotide pharmacophore against creutzfeldt-jakob_disease pathway. methyclothiazide bone_cancer GAP_LOW 0.1009 0.0 ibandronate Low-priority: Computational docking methyclothiazide vs bone_cancer targets. Cross-check methyclothiazide pharmacophore against bone_cancer pathway. methyclothiazide gestational_diabetes GAP_LOW 0.1009 0.0 tolazamide Low-priority: Computational docking methyclothiazide vs gestational_diabetes targets. Cross-check methyclothiazide pharmacophore against gestational_diabetes pathway. orphenadrine bone_cancer GAP_LOW 0.1009 0.0 ibandronate Low-priority: Computational docking orphenadrine vs bone_cancer targets. Cross-check orphenadrine pharmacophore against bone_cancer pathway. orphenadrine gestational_diabetes GAP_LOW 0.1009 0.0 tolazamide Low-priority: Computational docking orphenadrine vs gestational_diabetes targets. Cross-check orphenadrine pharmacophore against gestational_diabetes pathway. streptozocin meningioma GAP_LOW 0.1009 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs meningioma targets. Cross-check streptozocin pharmacophore against meningioma pathway. pseudoephedrine stomach_cancer GAP_HIGH 0.1008 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in stomach_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) phenylbutazone chronic_kidney_failure GAP_HIGH 0.1008 0.2631578947368421 isopropamide High-priority: Binding assay phenylbutazone→?; validate in chronic_kidney_failure cell model. Expected: similar to isopropamide (Jaccard=0.26) dexamethasone psoriatic_arthritis GAP_HIGH 0.1008 0.25 amiloride High-priority: Binding assay dexamethasone→?; validate in psoriatic_arthritis cell model. Expected: similar to amiloride (Jaccard=0.25) carbinoxamine sclerosing_cholangitis GAP_HIGH 0.1008 0.22727272727272727 promazine High-priority: Binding assay carbinoxamine→?; validate in sclerosing_cholangitis cell model. Expected: similar to promazine (Jaccard=0.23) prochlorperazine ocular_cancer GAP_HIGH 0.1008 0.2 metaraminol High-priority: Binding assay prochlorperazine→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.20) bevantolol uterine_cancer GAP_HIGH 0.1008 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in uterine_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.19) tiaprofenic_acid focal_segmental_glomerulosclerosis GAP_HIGH 0.1008 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.18) folic_acid celiac_disease GAP_HIGH 0.1008 0.18181818181818182 tioguanine High-priority: Binding assay folic_acid→?; validate in celiac_disease cell model. Expected: similar to tioguanine (Jaccard=0.18) tetrahydrofolic_acid celiac_disease GAP_HIGH 0.1008 0.18181818181818182 tioguanine High-priority: Binding assay tetrahydrofolic_acid→?; validate in celiac_disease cell model. Expected: similar to tioguanine (Jaccard=0.18) docetaxel narcolepsy GAP_HIGH 0.1008 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in narcolepsy cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) adenosine_monophosphate sclerosing_cholangitis GAP_HIGH 0.1008 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in sclerosing_cholangitis cell model. Expected: similar to entecavir (Jaccard=0.16) floctafenine ocular_cancer GAP_HIGH 0.1008 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in ocular_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) adenine obesity GAP_LOW 0.1008 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs obesity targets. Cross-check adenine pharmacophore against obesity pathway. meclizine acquired_immunodeficiency_syndrome GAP_LOW 0.1008 0.12903225806451613 nateglinide Low-priority: Computational docking meclizine vs acquired_immunodeficiency_syndrome targets. Cross-check meclizine pharmacophore against acquired_immunodeficiency_syndrome pathway. methamphetamine focal_segmental_glomerulosclerosis GAP_LOW 0.1008 0.125 alimemazine Low-priority: Computational docking methamphetamine vs focal_segmental_glomerulosclerosis targets. Cross-check methamphetamine pharmacophore against focal_segmental_glomerulosclerosis pathway. anileridine idiopathic_pulmonary_fibrosis GAP_LOW 0.1008 0.12121212121212122 diphenhydramine Low-priority: Computational docking anileridine vs idiopathic_pulmonary_fibrosis targets. Cross-check anileridine pharmacophore against idiopathic_pulmonary_fibrosis pathway. indapamide amyotrophic_lateral_sclerosis GAP_LOW 0.1008 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs amyotrophic_lateral_sclerosis targets. Cross-check indapamide pharmacophore against amyotrophic_lateral_sclerosis pathway. probenecid pharynx_cancer GAP_LOW 0.1008 0.1206896551724138 metoclopramide Low-priority: Computational docking probenecid vs pharynx_cancer targets. Cross-check probenecid pharmacophore against pharynx_cancer pathway. dimetindene salivary_gland_cancer GAP_LOW 0.1008 0.12 methadone Low-priority: Computational docking dimetindene vs salivary_gland_cancer targets. Cross-check dimetindene pharmacophore against salivary_gland_cancer pathway. cinolazepam crohns_disease GAP_LOW 0.1008 0.11764705882352941 fosphenytoin Low-priority: Computational docking cinolazepam vs crohns_disease targets. Cross-check cinolazepam pharmacophore against crohns_disease pathway. lisinopril nephrolithiasis GAP_LOW 0.1008 0.11764705882352941 doxorubicin Low-priority: Computational docking lisinopril vs nephrolithiasis targets. Cross-check lisinopril pharmacophore against nephrolithiasis pathway. nateglinide alcohol_dependence GAP_LOW 0.1008 0.1111111111111111 mazindol Low-priority: Computational docking nateglinide vs alcohol_dependence targets. Cross-check nateglinide pharmacophore against alcohol_dependence pathway. enalapril thymus_cancer GAP_LOW 0.1008 0.1 doxorubicin Low-priority: Computational docking enalapril vs thymus_cancer targets. Cross-check enalapril pharmacophore against thymus_cancer pathway. diethylpropion brain_cancer GAP_LOW 0.1008 0.09523809523809523 drospirenone Low-priority: Computational docking diethylpropion vs brain_cancer targets. Cross-check diethylpropion pharmacophore against brain_cancer pathway. diethylpropion intracranial_aneurysm GAP_LOW 0.1008 0.09523809523809523 drospirenone Low-priority: Computational docking diethylpropion vs intracranial_aneurysm targets. Cross-check diethylpropion pharmacophore against intracranial_aneurysm pathway. midazolam malaria GAP_LOW 0.1008 0.09523809523809523 antipyrine Low-priority: Computational docking midazolam vs malaria targets. Cross-check midazolam pharmacophore against malaria pathway. imipramine intracranial_aneurysm GAP_LOW 0.1008 0.08333333333333333 dexamethasone Low-priority: Computational docking imipramine vs intracranial_aneurysm targets. Cross-check imipramine pharmacophore against intracranial_aneurysm pathway. salbutamol malignant_mesothelioma GAP_LOW 0.1008 0.08333333333333333 mesalazine Low-priority: Computational docking salbutamol vs malignant_mesothelioma targets. Cross-check salbutamol pharmacophore against malignant_mesothelioma pathway. tretinoin azoospermia GAP_LOW 0.1008 0.06666666666666667 methamphetamine Low-priority: Computational docking tretinoin vs azoospermia targets. Cross-check tretinoin pharmacophore against azoospermia pathway. conjugated_estrogens membranous_glomerulonephritis GAP_LOW 0.1008 0.058823529411764705 toremifene Low-priority: Computational docking conjugated_estrogens vs membranous_glomerulonephritis targets. Cross-check conjugated_estrogens pharmacophore against membranous_glomerulonephritis pathway. topotecan gestational_diabetes GAP_LOW 0.1008 0.043478260869565216 bezafibrate Low-priority: Computational docking topotecan vs gestational_diabetes targets. Cross-check topotecan pharmacophore against gestational_diabetes pathway. remifentanil glaucoma GAP_LOW 0.1008 0.03225806451612903 l-serine Low-priority: Computational docking remifentanil vs glaucoma targets. Cross-check remifentanil pharmacophore against glaucoma pathway. adenosine_monophosphate dilated_cardiomyopathy GAP_LOW 0.1008 0.015384615384615385 trandolapril Low-priority: Computational docking adenosine_monophosphate vs dilated_cardiomyopathy targets. Cross-check adenosine_monophosphate pharmacophore against dilated_cardiomyopathy pathway. desmopressin larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking desmopressin vs larynx_cancer targets. Cross-check desmopressin pharmacophore against larynx_cancer pathway. felypressin larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking felypressin vs larynx_cancer targets. Cross-check felypressin pharmacophore against larynx_cancer pathway. halazepam larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking halazepam vs larynx_cancer targets. Cross-check halazepam pharmacophore against larynx_cancer pathway. pasireotide larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking pasireotide vs larynx_cancer targets. Cross-check pasireotide pharmacophore against larynx_cancer pathway. terlipressin larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking terlipressin vs larynx_cancer targets. Cross-check terlipressin pharmacophore against larynx_cancer pathway. treprostinil larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking treprostinil vs larynx_cancer targets. Cross-check treprostinil pharmacophore against larynx_cancer pathway. vapreotide larynx_cancer GAP_LOW 0.1008 0.0 vinblastine Low-priority: Computational docking vapreotide vs larynx_cancer targets. Cross-check vapreotide pharmacophore against larynx_cancer pathway. chlorcyclizine penile_cancer GAP_HIGH 0.1007 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.25) reboxetine vaginal_cancer GAP_HIGH 0.1007 0.25 phenoxybenzamine High-priority: Binding assay reboxetine→?; validate in vaginal_cancer cell model. Expected: similar to phenoxybenzamine (Jaccard=0.25) bezafibrate parkinsons_disease GAP_HIGH 0.1007 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in parkinsons_disease cell model. Expected: similar to bromfenac (Jaccard=0.24) etoricoxib creutzfeldt-jakob_disease GAP_HIGH 0.1007 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to nateglinide (Jaccard=0.22) ethinyl_estradiol panic_disorder GAP_HIGH 0.1007 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.21) acetophenazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1007 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atropine (Jaccard=0.20) isopropamide idiopathic_pulmonary_fibrosis GAP_HIGH 0.1007 0.2 metaraminol High-priority: Binding assay isopropamide→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to metaraminol (Jaccard=0.20) sunitinib panic_disorder GAP_HIGH 0.1007 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.19) sunitinib schizophrenia GAP_HIGH 0.1007 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.19) azatadine meningioma GAP_HIGH 0.1007 0.16666666666666666 alendronate High-priority: Binding assay azatadine→?; validate in meningioma cell model. Expected: similar to alendronate (Jaccard=0.17) midazolam salivary_gland_cancer GAP_HIGH 0.1007 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in salivary_gland_cancer cell model. Expected: similar to practolol (Jaccard=0.17) floctafenine liver_cancer GAP_HIGH 0.1007 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in liver_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) oxazepam salivary_gland_cancer GAP_LOW 0.1007 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs salivary_gland_cancer targets. Cross-check oxazepam pharmacophore against salivary_gland_cancer pathway. benzatropine atherosclerosis GAP_LOW 0.1007 0.125 warfarin Low-priority: Computational docking benzatropine vs atherosclerosis targets. Cross-check benzatropine pharmacophore against atherosclerosis pathway. diclofenac prostate_cancer GAP_LOW 0.1007 0.125 azelastine Low-priority: Computational docking diclofenac vs prostate_cancer targets. Cross-check diclofenac pharmacophore against prostate_cancer pathway. ramipril germ_cell_cancer GAP_LOW 0.1007 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs germ_cell_cancer targets. Cross-check ramipril pharmacophore against germ_cell_cancer pathway. vismodegib alopecia_areata GAP_LOW 0.1007 0.11764705882352941 fluticasone_propionate Low-priority: Computational docking vismodegib vs alopecia_areata targets. Cross-check vismodegib pharmacophore against alopecia_areata pathway. doxorubicin atherosclerosis GAP_LOW 0.1007 0.10714285714285714 pseudoephedrine Low-priority: Computational docking doxorubicin vs atherosclerosis targets. Cross-check doxorubicin pharmacophore against atherosclerosis pathway. crizotinib type_1_diabetes_mellitus GAP_LOW 0.1007 0.10526315789473684 gliclazide Low-priority: Computational docking crizotinib vs type_1_diabetes_mellitus targets. Cross-check crizotinib pharmacophore against type_1_diabetes_mellitus pathway. tranylcypromine gilles_de_la_tourette_syndrome GAP_LOW 0.1007 0.10344827586206896 modafinil Low-priority: Computational docking tranylcypromine vs gilles_de_la_tourette_syndrome targets. Cross-check tranylcypromine pharmacophore against gilles_de_la_tourette_syndrome pathway. alitretinoin osteoarthritis GAP_LOW 0.1007 0.1 histamine_phosphate Low-priority: Computational docking alitretinoin vs osteoarthritis targets. Cross-check alitretinoin pharmacophore against osteoarthritis pathway. salsalate gestational_diabetes GAP_LOW 0.1007 0.09375 bezafibrate Low-priority: Computational docking salsalate vs gestational_diabetes targets. Cross-check salsalate pharmacophore against gestational_diabetes pathway. diphenidol larynx_cancer GAP_LOW 0.1007 0.09090909090909091 epirubicin Low-priority: Computational docking diphenidol vs larynx_cancer targets. Cross-check diphenidol pharmacophore against larynx_cancer pathway. furosemide crohns_disease GAP_LOW 0.1007 0.08571428571428572 fenoprofen Low-priority: Computational docking furosemide vs crohns_disease targets. Cross-check furosemide pharmacophore against crohns_disease pathway. amoxapine larynx_cancer GAP_LOW 0.1007 0.08333333333333333 alendronate Low-priority: Computational docking amoxapine vs larynx_cancer targets. Cross-check amoxapine pharmacophore against larynx_cancer pathway. lenalidomide autistic_disorder GAP_LOW 0.1007 0.08333333333333333 flurazepam Low-priority: Computational docking lenalidomide vs autistic_disorder targets. Cross-check lenalidomide pharmacophore against autistic_disorder pathway. mepyramine head_and_neck_cancer GAP_LOW 0.1007 0.08333333333333333 procarbazine Low-priority: Computational docking mepyramine vs head_and_neck_cancer targets. Cross-check mepyramine pharmacophore against head_and_neck_cancer pathway. mepyramine malignant_glioma GAP_LOW 0.1007 0.08333333333333333 procarbazine Low-priority: Computational docking mepyramine vs malignant_glioma targets. Cross-check mepyramine pharmacophore against malignant_glioma pathway. isoetarine prostate_cancer GAP_LOW 0.1007 0.0625 exemestane Low-priority: Computational docking isoetarine vs prostate_cancer targets. Cross-check isoetarine pharmacophore against prostate_cancer pathway. vindesine dilated_cardiomyopathy GAP_LOW 0.1007 0.05555555555555555 rimexolone Low-priority: Computational docking vindesine vs dilated_cardiomyopathy targets. Cross-check vindesine pharmacophore against dilated_cardiomyopathy pathway. zafirlukast mediastinal_cancer GAP_LOW 0.1007 0.05555555555555555 procarbazine Low-priority: Computational docking zafirlukast vs mediastinal_cancer targets. Cross-check zafirlukast pharmacophore against mediastinal_cancer pathway. clonazepam glaucoma GAP_LOW 0.1007 0.05 metaraminol Low-priority: Computational docking clonazepam vs glaucoma targets. Cross-check clonazepam pharmacophore against glaucoma pathway. oxybuprocaine acquired_immunodeficiency_syndrome GAP_LOW 0.1007 0.05 emtricitabine Low-priority: Computational docking oxybuprocaine vs acquired_immunodeficiency_syndrome targets. Cross-check oxybuprocaine pharmacophore against acquired_immunodeficiency_syndrome pathway. diclofenamide celiac_disease GAP_LOW 0.1007 0.047619047619047616 fentanyl Low-priority: Computational docking diclofenamide vs celiac_disease targets. Cross-check diclofenamide pharmacophore against celiac_disease pathway. adenine gestational_diabetes GAP_LOW 0.1007 0.03571428571428571 bezafibrate Low-priority: Computational docking adenine vs gestational_diabetes targets. Cross-check adenine pharmacophore against gestational_diabetes pathway. acetic_acid crohns_disease GAP_LOW 0.1007 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs crohns_disease targets. Cross-check acetic_acid pharmacophore against crohns_disease pathway. alverine leprosy GAP_LOW 0.1007 0.0 sulfapyridine Low-priority: Computational docking alverine vs leprosy targets. Cross-check alverine pharmacophore against leprosy pathway. dextroamphetamine leprosy GAP_LOW 0.1007 0.0 sulfapyridine Low-priority: Computational docking dextroamphetamine vs leprosy targets. Cross-check dextroamphetamine pharmacophore against leprosy pathway. docetaxel leprosy GAP_LOW 0.1007 0.0 sulfapyridine Low-priority: Computational docking docetaxel vs leprosy targets. Cross-check docetaxel pharmacophore against leprosy pathway. entecavir leprosy GAP_LOW 0.1007 0.0 sulfapyridine Low-priority: Computational docking entecavir vs leprosy targets. Cross-check entecavir pharmacophore against leprosy pathway. pseudoephedrine uterine_cancer GAP_HIGH 0.1006 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) bezafibrate amyotrophic_lateral_sclerosis GAP_HIGH 0.1006 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to bromfenac (Jaccard=0.24) bezafibrate autistic_disorder GAP_HIGH 0.1006 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in autistic_disorder cell model. Expected: similar to bromfenac (Jaccard=0.24) bezafibrate nicotine_dependence GAP_HIGH 0.1006 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in nicotine_dependence cell model. Expected: similar to bromfenac (Jaccard=0.24) ethinyl_estradiol conduct_disorder GAP_HIGH 0.1006 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.21) methotrexate conduct_disorder GAP_HIGH 0.1006 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in conduct_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) l-serine creutzfeldt-jakob_disease GAP_HIGH 0.1006 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-histidine (Jaccard=0.19) sunitinib conduct_disorder GAP_HIGH 0.1006 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.19) levorphanol membranous_glomerulonephritis GAP_HIGH 0.1006 0.16666666666666666 dimetacrine High-priority: Binding assay levorphanol→?; validate in membranous_glomerulonephritis cell model. Expected: similar to dimetacrine (Jaccard=0.17) prednicarbate parkinsons_disease GAP_HIGH 0.1006 0.16666666666666666 dextromethorphan High-priority: Binding assay prednicarbate→?; validate in parkinsons_disease cell model. Expected: similar to dextromethorphan (Jaccard=0.17) bethanidine penile_cancer GAP_HIGH 0.1006 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) teniposide obesity GAP_HIGH 0.1006 0.15384615384615385 voacamine High-priority: Binding assay teniposide→?; validate in obesity cell model. Expected: similar to voacamine (Jaccard=0.15) drostanolone creutzfeldt-jakob_disease GAP_LOW 0.1006 0.13333333333333333 loperamide Low-priority: Computational docking drostanolone vs creutzfeldt-jakob_disease targets. Cross-check drostanolone pharmacophore against creutzfeldt-jakob_disease pathway. oxcarbazepine glaucoma GAP_LOW 0.1006 0.13043478260869565 pseudoephedrine Low-priority: Computational docking oxcarbazepine vs glaucoma targets. Cross-check oxcarbazepine pharmacophore against glaucoma pathway. l-dopa acquired_immunodeficiency_syndrome GAP_LOW 0.1006 0.125 mitiglinide Low-priority: Computational docking l-dopa vs acquired_immunodeficiency_syndrome targets. Cross-check l-dopa pharmacophore against acquired_immunodeficiency_syndrome pathway. paclitaxel alopecia_areata GAP_LOW 0.1006 0.125 cyproterone_acetate Low-priority: Computational docking paclitaxel vs alopecia_areata targets. Cross-check paclitaxel pharmacophore against alopecia_areata pathway. anisotropine_methylbromide ovarian_cancer GAP_LOW 0.1006 0.1111111111111111 halazepam Low-priority: Computational docking anisotropine_methylbromide vs ovarian_cancer targets. Cross-check anisotropine_methylbromide pharmacophore against ovarian_cancer pathway. chloroprocaine esophageal_cancer GAP_LOW 0.1006 0.1111111111111111 fludrocortisone Low-priority: Computational docking chloroprocaine vs esophageal_cancer targets. Cross-check chloroprocaine pharmacophore against esophageal_cancer pathway. suprofen malaria GAP_LOW 0.1006 0.1 warfarin Low-priority: Computational docking suprofen vs malaria targets. Cross-check suprofen pharmacophore against malaria pathway. aspartame kidney_cancer GAP_LOW 0.1006 0.09090909090909091 voacamine Low-priority: Computational docking aspartame vs kidney_cancer targets. Cross-check aspartame pharmacophore against kidney_cancer pathway. ospemifene amyotrophic_lateral_sclerosis GAP_LOW 0.1006 0.09090909090909091 l-dopa Low-priority: Computational docking ospemifene vs amyotrophic_lateral_sclerosis targets. Cross-check ospemifene pharmacophore against amyotrophic_lateral_sclerosis pathway. flurazepam pharynx_cancer GAP_LOW 0.1006 0.08695652173913043 phenylbutazone Low-priority: Computational docking flurazepam vs pharynx_cancer targets. Cross-check flurazepam pharmacophore against pharynx_cancer pathway. anisotropine_methylbromide glaucoma GAP_LOW 0.1006 0.07692307692307693 practolol Low-priority: Computational docking anisotropine_methylbromide vs glaucoma targets. Cross-check anisotropine_methylbromide pharmacophore against glaucoma pathway. zafirlukast salivary_gland_cancer GAP_LOW 0.1006 0.06666666666666667 aspartame Low-priority: Computational docking zafirlukast vs salivary_gland_cancer targets. Cross-check zafirlukast pharmacophore against salivary_gland_cancer pathway. sorafenib bone_cancer GAP_LOW 0.1006 0.0625 histamine_phosphate Low-priority: Computational docking sorafenib vs bone_cancer targets. Cross-check sorafenib pharmacophore against bone_cancer pathway. olanzapine lymphatic_system_cancer GAP_LOW 0.1006 0.02857142857142857 adenosine_triphosphate Low-priority: Computational docking olanzapine vs lymphatic_system_cancer targets. Cross-check olanzapine pharmacophore against lymphatic_system_cancer pathway. indapamide alcohol_dependence GAP_LOW 0.1006 0.025 mazindol Low-priority: Computational docking indapamide vs alcohol_dependence targets. Cross-check indapamide pharmacophore against alcohol_dependence pathway. linaclotide pharynx_cancer GAP_LOW 0.1006 0.0 hydrocortisone Low-priority: Computational docking linaclotide vs pharynx_cancer targets. Cross-check linaclotide pharmacophore against pharynx_cancer pathway. methotrimeprazine sclerosing_cholangitis GAP_HIGH 0.1005 0.23809523809523808 dimetacrine High-priority: Binding assay methotrimeprazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to dimetacrine (Jaccard=0.24) ethinyl_estradiol bipolar_disorder GAP_HIGH 0.1005 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.21) prochlorperazine urinary_bladder_cancer GAP_HIGH 0.1005 0.2 isopropamide High-priority: Binding assay prochlorperazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.20) bepridil idiopathic_pulmonary_fibrosis GAP_HIGH 0.1005 0.19230769230769232 diphenhydramine High-priority: Binding assay bepridil→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.19) sunitinib bipolar_disorder GAP_HIGH 0.1005 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.19) etoricoxib larynx_cancer GAP_HIGH 0.1005 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in larynx_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) lacosamide refractive_error GAP_HIGH 0.1005 0.16666666666666666 phenylpropanolamine High-priority: Binding assay lacosamide→?; validate in refractive_error cell model. Expected: similar to phenylpropanolamine (Jaccard=0.17) prednicarbate autistic_disorder GAP_HIGH 0.1005 0.16666666666666666 dextromethorphan High-priority: Binding assay prednicarbate→?; validate in autistic_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) floctafenine peripheral_nervous_system_neoplasm GAP_HIGH 0.1005 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to fluorometholone (Jaccard=0.15) floctafenine urinary_bladder_cancer GAP_HIGH 0.1005 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in urinary_bladder_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) sunitinib azoospermia GAP_HIGH 0.1005 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in azoospermia cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) oxazepam ocular_cancer GAP_LOW 0.1005 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs ocular_cancer targets. Cross-check oxazepam pharmacophore against ocular_cancer pathway. phenindamine meningioma GAP_LOW 0.1005 0.14285714285714285 alendronate Low-priority: Computational docking phenindamine vs meningioma targets. Cross-check phenindamine pharmacophore against meningioma pathway. floctafenine penile_cancer GAP_LOW 0.1005 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs penile_cancer targets. Cross-check floctafenine pharmacophore against penile_cancer pathway. testosterone creutzfeldt-jakob_disease GAP_LOW 0.1005 0.125 loperamide Low-priority: Computational docking testosterone vs creutzfeldt-jakob_disease targets. Cross-check testosterone pharmacophore against creutzfeldt-jakob_disease pathway. dimetindene ocular_cancer GAP_LOW 0.1005 0.12 methadone Low-priority: Computational docking dimetindene vs ocular_cancer targets. Cross-check dimetindene pharmacophore against ocular_cancer pathway. methamphetamine larynx_cancer GAP_LOW 0.1005 0.1111111111111111 vincristine Low-priority: Computational docking methamphetamine vs larynx_cancer targets. Cross-check methamphetamine pharmacophore against larynx_cancer pathway. sulfamethizole chronic_obstructive_pulmonary_disease GAP_LOW 0.1005 0.1111111111111111 meclizine Low-priority: Computational docking sulfamethizole vs chronic_obstructive_pulmonary_disease targets. Cross-check sulfamethizole pharmacophore against chronic_obstructive_pulmonary_disease pathway. indapamide germ_cell_cancer GAP_LOW 0.1005 0.1 procarbazine Low-priority: Computational docking indapamide vs germ_cell_cancer targets. Cross-check indapamide pharmacophore against germ_cell_cancer pathway. phenoxybenzamine larynx_cancer GAP_LOW 0.1005 0.1 vincristine Low-priority: Computational docking phenoxybenzamine vs larynx_cancer targets. Cross-check phenoxybenzamine pharmacophore against larynx_cancer pathway. aspartame nephrolithiasis GAP_LOW 0.1005 0.09090909090909091 voacamine Low-priority: Computational docking aspartame vs nephrolithiasis targets. Cross-check aspartame pharmacophore against nephrolithiasis pathway. estazolam penile_cancer GAP_LOW 0.1005 0.09090909090909091 phenylbutazone Low-priority: Computational docking estazolam vs penile_cancer targets. Cross-check estazolam pharmacophore against penile_cancer pathway. carbinoxamine bone_cancer GAP_LOW 0.1005 0.08333333333333333 alendronate Low-priority: Computational docking carbinoxamine vs bone_cancer targets. Cross-check carbinoxamine pharmacophore against bone_cancer pathway. ramipril lymphatic_system_cancer GAP_LOW 0.1005 0.06896551724137931 glucosamine Low-priority: Computational docking ramipril vs lymphatic_system_cancer targets. Cross-check ramipril pharmacophore against lymphatic_system_cancer pathway. rimexolone leprosy GAP_LOW 0.1005 0.06666666666666667 sulfapyridine Low-priority: Computational docking rimexolone vs leprosy targets. Cross-check rimexolone pharmacophore against leprosy pathway. lenalidomide penile_cancer GAP_LOW 0.1005 0.058823529411764705 sorafenib Low-priority: Computational docking lenalidomide vs penile_cancer targets. Cross-check lenalidomide pharmacophore against penile_cancer pathway. azacitidine celiac_disease GAP_LOW 0.1005 0.05555555555555555 tioguanine Low-priority: Computational docking azacitidine vs celiac_disease targets. Cross-check azacitidine pharmacophore against celiac_disease pathway. suprofen alcohol_dependence GAP_LOW 0.1005 0.045454545454545456 levorphanol Low-priority: Computational docking suprofen vs alcohol_dependence targets. Cross-check suprofen pharmacophore against alcohol_dependence pathway. fenbufen primary_biliary_cirrhosis GAP_LOW 0.1005 0.034482758620689655 bezafibrate Low-priority: Computational docking fenbufen vs primary_biliary_cirrhosis targets. Cross-check fenbufen pharmacophore against primary_biliary_cirrhosis pathway. antipyrine esophageal_cancer GAP_LOW 0.1005 0.0 hydrocortisone Low-priority: Computational docking antipyrine vs esophageal_cancer targets. Cross-check antipyrine pharmacophore against esophageal_cancer pathway. epinephrine membranous_glomerulonephritis GAP_LOW 0.1005 0.0 methdilazine Low-priority: Computational docking epinephrine vs membranous_glomerulonephritis targets. Cross-check epinephrine pharmacophore against membranous_glomerulonephritis pathway. fenbufen esophageal_cancer GAP_LOW 0.1005 0.0 hydrocortisone Low-priority: Computational docking fenbufen vs esophageal_cancer targets. Cross-check fenbufen pharmacophore against esophageal_cancer pathway. ketazolam esophageal_cancer GAP_LOW 0.1005 0.0 hydrocortisone Low-priority: Computational docking ketazolam vs esophageal_cancer targets. Cross-check ketazolam pharmacophore against esophageal_cancer pathway. prazepam esophageal_cancer GAP_LOW 0.1005 0.0 hydrocortisone Low-priority: Computational docking prazepam vs esophageal_cancer targets. Cross-check prazepam pharmacophore against esophageal_cancer pathway. theophylline esophageal_cancer GAP_LOW 0.1005 0.0 hydrocortisone Low-priority: Computational docking theophylline vs esophageal_cancer targets. Cross-check theophylline pharmacophore against esophageal_cancer pathway. thiothixene sclerosing_cholangitis GAP_HIGH 0.1004 0.28 temazepam High-priority: Binding assay thiothixene→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.28) promethazine pharynx_cancer GAP_HIGH 0.1004 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) propranolol systemic_scleroderma GAP_HIGH 0.1004 0.25 butenafine High-priority: Binding assay propranolol→?; validate in systemic_scleroderma cell model. Expected: similar to butenafine (Jaccard=0.25) bezafibrate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1004 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to bromfenac (Jaccard=0.24) chlorcyclizine focal_segmental_glomerulosclerosis GAP_HIGH 0.1004 0.2222222222222222 naftifine High-priority: Binding assay chlorcyclizine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to naftifine (Jaccard=0.22) olsalazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1004 0.21428571428571427 epinephrine High-priority: Binding assay olsalazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to epinephrine (Jaccard=0.21) ethinyl_estradiol endogenous_depression GAP_HIGH 0.1004 0.20833333333333334 levorphanol High-priority: Binding assay ethinyl_estradiol→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.21) desipramine meningioma GAP_HIGH 0.1004 0.2 vincristine High-priority: Binding assay desipramine→?; validate in meningioma cell model. Expected: similar to vincristine (Jaccard=0.20) methotrexate bipolar_disorder GAP_HIGH 0.1004 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in bipolar_disorder cell model. Expected: similar to l-arginine (Jaccard=0.20) phenelzine thyroid_cancer GAP_HIGH 0.1004 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) prochlorperazine peripheral_nervous_system_neoplasm GAP_HIGH 0.1004 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atropine (Jaccard=0.20) sunitinib endogenous_depression GAP_HIGH 0.1004 0.1875 naloxone High-priority: Binding assay sunitinib→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.19) l-histidine stomach_cancer GAP_HIGH 0.1004 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in stomach_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) midazolam ocular_cancer GAP_HIGH 0.1004 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in ocular_cancer cell model. Expected: similar to practolol (Jaccard=0.17) vismodegib thyroid_cancer GAP_HIGH 0.1004 0.16666666666666666 linaclotide High-priority: Binding assay vismodegib→?; validate in thyroid_cancer cell model. Expected: similar to linaclotide (Jaccard=0.17) bethanidine malignant_mesothelioma GAP_HIGH 0.1004 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.16) chloroprocaine salivary_gland_cancer GAP_HIGH 0.1004 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) clodronate crohns_disease GAP_LOW 0.1004 0.14285714285714285 dapsone Low-priority: Computational docking clodronate vs crohns_disease targets. Cross-check clodronate pharmacophore against crohns_disease pathway. teniposide chronic_obstructive_pulmonary_disease GAP_LOW 0.1004 0.14285714285714285 trovafloxacin Low-priority: Computational docking teniposide vs chronic_obstructive_pulmonary_disease targets. Cross-check teniposide pharmacophore against chronic_obstructive_pulmonary_disease pathway. teniposide epilepsy_syndrome GAP_LOW 0.1004 0.14285714285714285 amsacrine Low-priority: Computational docking teniposide vs epilepsy_syndrome targets. Cross-check teniposide pharmacophore against epilepsy_syndrome pathway. sunitinib type_1_diabetes_mellitus GAP_LOW 0.1004 0.13636363636363635 gliclazide Low-priority: Computational docking sunitinib vs type_1_diabetes_mellitus targets. Cross-check sunitinib pharmacophore against type_1_diabetes_mellitus pathway. floctafenine glaucoma GAP_LOW 0.1004 0.1111111111111111 succinylcholine Low-priority: Computational docking floctafenine vs glaucoma targets. Cross-check floctafenine pharmacophore against glaucoma pathway. tretinoin colon_cancer GAP_LOW 0.1004 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs colon_cancer targets. Cross-check tretinoin pharmacophore against colon_cancer pathway. tretinoin hypertension GAP_LOW 0.1004 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs hypertension targets. Cross-check tretinoin pharmacophore against hypertension pathway. desogestrel narcolepsy GAP_LOW 0.1004 0.08333333333333333 l-tryptophan Low-priority: Computational docking desogestrel vs narcolepsy targets. Cross-check desogestrel pharmacophore against narcolepsy pathway. lidocaine glaucoma GAP_LOW 0.1004 0.08333333333333333 metaraminol Low-priority: Computational docking lidocaine vs glaucoma targets. Cross-check lidocaine pharmacophore against glaucoma pathway. levomilnacipran penile_cancer GAP_LOW 0.1004 0.08 methadone Low-priority: Computational docking levomilnacipran vs penile_cancer targets. Cross-check levomilnacipran pharmacophore against penile_cancer pathway. alprazolam meningioma GAP_LOW 0.1004 0.07692307692307693 phenylbutazone Low-priority: Computational docking alprazolam vs meningioma targets. Cross-check alprazolam pharmacophore against meningioma pathway. stanozolol narcolepsy GAP_LOW 0.1004 0.07692307692307693 carbinoxamine Low-priority: Computational docking stanozolol vs narcolepsy targets. Cross-check stanozolol pharmacophore against narcolepsy pathway. glucosamine alopecia_areata GAP_LOW 0.1004 0.07142857142857142 dexamethasone Low-priority: Computational docking glucosamine vs alopecia_areata targets. Cross-check glucosamine pharmacophore against alopecia_areata pathway. dihydrotachysterol refractive_error GAP_LOW 0.1004 0.05 droxidopa Low-priority: Computational docking dihydrotachysterol vs refractive_error targets. Cross-check dihydrotachysterol pharmacophore against refractive_error pathway. dipivefrin focal_segmental_glomerulosclerosis GAP_LOW 0.1004 0.05 tamsulosin Low-priority: Computational docking dipivefrin vs focal_segmental_glomerulosclerosis targets. Cross-check dipivefrin pharmacophore against focal_segmental_glomerulosclerosis pathway. testosterone lymphatic_system_cancer GAP_LOW 0.1004 0.047619047619047616 lamivudine Low-priority: Computational docking testosterone vs lymphatic_system_cancer targets. Cross-check testosterone pharmacophore against lymphatic_system_cancer pathway. imatinib brain_cancer GAP_LOW 0.1004 0.037037037037037035 histamine_phosphate Low-priority: Computational docking imatinib vs brain_cancer targets. Cross-check imatinib pharmacophore against brain_cancer pathway. dyphylline creutzfeldt-jakob_disease GAP_LOW 0.1004 0.03225806451612903 phenacemide Low-priority: Computational docking dyphylline vs creutzfeldt-jakob_disease targets. Cross-check dyphylline pharmacophore against creutzfeldt-jakob_disease pathway. norelgestromin lymphatic_system_cancer GAP_LOW 0.1004 0.02631578947368421 adenosine_triphosphate Low-priority: Computational docking norelgestromin vs lymphatic_system_cancer targets. Cross-check norelgestromin pharmacophore against lymphatic_system_cancer pathway. adenosine_triphosphate alcohol_dependence GAP_LOW 0.1004 0.0 midazolam Low-priority: Computational docking adenosine_triphosphate vs alcohol_dependence targets. Cross-check adenosine_triphosphate pharmacophore against alcohol_dependence pathway. clofarabine dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking clofarabine vs dilated_cardiomyopathy targets. Cross-check clofarabine pharmacophore against dilated_cardiomyopathy pathway. doxylamine dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking doxylamine vs dilated_cardiomyopathy targets. Cross-check doxylamine pharmacophore against dilated_cardiomyopathy pathway. imipramine alcohol_dependence GAP_LOW 0.1004 0.0 midazolam Low-priority: Computational docking imipramine vs alcohol_dependence targets. Cross-check imipramine pharmacophore against alcohol_dependence pathway. probenecid dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking probenecid vs dilated_cardiomyopathy targets. Cross-check probenecid pharmacophore against dilated_cardiomyopathy pathway. selegiline dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking selegiline vs dilated_cardiomyopathy targets. Cross-check selegiline pharmacophore against dilated_cardiomyopathy pathway. sulfamethizole dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking sulfamethizole vs dilated_cardiomyopathy targets. Cross-check sulfamethizole pharmacophore against dilated_cardiomyopathy pathway. tolazoline dilated_cardiomyopathy GAP_LOW 0.1004 0.0 hydrocortisone Low-priority: Computational docking tolazoline vs dilated_cardiomyopathy targets. Cross-check tolazoline pharmacophore against dilated_cardiomyopathy pathway. chlorcyclizine skin_cancer GAP_HIGH 0.1003 0.28205128205128205 diphenhydramine High-priority: Binding assay chlorcyclizine→?; validate in skin_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.28) chlorpromazine mediastinal_cancer GAP_HIGH 0.1003 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) methotrexate endogenous_depression GAP_HIGH 0.1003 0.2 l-arginine High-priority: Binding assay methotrexate→?; validate in endogenous_depression cell model. Expected: similar to l-arginine (Jaccard=0.20) doxorubicin hematologic_cancer GAP_HIGH 0.1003 0.1724137931034483 glucosamine High-priority: Binding assay doxorubicin→?; validate in hematologic_cancer cell model. Expected: similar to glucosamine (Jaccard=0.17) l-histidine pancreatic_cancer GAP_HIGH 0.1003 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in pancreatic_cancer cell model. Expected: similar to l-tyrosine (Jaccard=0.17) prednicarbate attention_deficit_hyperactivity_disorder GAP_HIGH 0.1003 0.16666666666666666 dextromethorphan High-priority: Binding assay prednicarbate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to dextromethorphan (Jaccard=0.17) raloxifene prostate_cancer GAP_HIGH 0.1003 0.16666666666666666 estriol High-priority: Binding assay raloxifene→?; validate in prostate_cancer cell model. Expected: similar to estriol (Jaccard=0.17) ketoprofen hematologic_cancer GAP_HIGH 0.1003 0.15384615384615385 pomalidomide High-priority: Binding assay ketoprofen→?; validate in hematologic_cancer cell model. Expected: similar to pomalidomide (Jaccard=0.15) butenafine gout GAP_LOW 0.1003 0.14285714285714285 indecainide Low-priority: Computational docking butenafine vs gout targets. Cross-check butenafine pharmacophore against gout pathway. menadione head_and_neck_cancer GAP_LOW 0.1003 0.14285714285714285 methimazole Low-priority: Computational docking menadione vs head_and_neck_cancer targets. Cross-check menadione pharmacophore against head_and_neck_cancer pathway. adenine restless_legs_syndrome GAP_LOW 0.1003 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs restless_legs_syndrome targets. Cross-check adenine pharmacophore against restless_legs_syndrome pathway. floctafenine malignant_mesothelioma GAP_LOW 0.1003 0.13043478260869565 fludrocortisone Low-priority: Computational docking floctafenine vs malignant_mesothelioma targets. Cross-check floctafenine pharmacophore against malignant_mesothelioma pathway. tolmetin uterine_cancer GAP_LOW 0.1003 0.125 flurandrenolide Low-priority: Computational docking tolmetin vs uterine_cancer targets. Cross-check tolmetin pharmacophore against uterine_cancer pathway. indapamide asthma GAP_LOW 0.1003 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs asthma targets. Cross-check indapamide pharmacophore against asthma pathway. cladribine psoriasis GAP_LOW 0.1003 0.11764705882352941 tetrahydrofolic_acid Low-priority: Computational docking cladribine vs psoriasis targets. Cross-check cladribine pharmacophore against psoriasis pathway. ethynodiol glaucoma GAP_LOW 0.1003 0.1 dinoprost_tromethamine Low-priority: Computational docking ethynodiol vs glaucoma targets. Cross-check ethynodiol pharmacophore against glaucoma pathway. zidovudine meningioma GAP_LOW 0.1003 0.09090909090909091 tetrahydrofolic_acid Low-priority: Computational docking zidovudine vs meningioma targets. Cross-check zidovudine pharmacophore against meningioma pathway. furosemide prostate_cancer GAP_LOW 0.1003 0.08571428571428572 fenoprofen Low-priority: Computational docking furosemide vs prostate_cancer targets. Cross-check furosemide pharmacophore against prostate_cancer pathway. enalapril chronic_kidney_failure GAP_LOW 0.1003 0.07692307692307693 trimipramine Low-priority: Computational docking enalapril vs chronic_kidney_failure targets. Cross-check enalapril pharmacophore against chronic_kidney_failure pathway. trandolapril atherosclerosis GAP_LOW 0.1003 0.07692307692307693 salicylate-sodium Low-priority: Computational docking trandolapril vs atherosclerosis targets. Cross-check trandolapril pharmacophore against atherosclerosis pathway. diclofenamide pancreatic_cancer GAP_LOW 0.1003 0.07142857142857142 ifenprodil Low-priority: Computational docking diclofenamide vs pancreatic_cancer targets. Cross-check diclofenamide pharmacophore against pancreatic_cancer pathway. dipivefrin meningioma GAP_LOW 0.1003 0.07142857142857142 ifenprodil Low-priority: Computational docking dipivefrin vs meningioma targets. Cross-check dipivefrin pharmacophore against meningioma pathway. diphenhydramine leprosy GAP_LOW 0.1003 0.06666666666666667 phenmetrazine Low-priority: Computational docking diphenhydramine vs leprosy targets. Cross-check diphenhydramine pharmacophore against leprosy pathway. lenalidomide malignant_mesothelioma GAP_LOW 0.1003 0.058823529411764705 sorafenib Low-priority: Computational docking lenalidomide vs malignant_mesothelioma targets. Cross-check lenalidomide pharmacophore against malignant_mesothelioma pathway. norelgestromin refractive_error GAP_LOW 0.1003 0.058823529411764705 l-dopa Low-priority: Computational docking norelgestromin vs refractive_error targets. Cross-check norelgestromin pharmacophore against refractive_error pathway. dobutamine membranous_glomerulonephritis GAP_LOW 0.1003 0.05 tamsulosin Low-priority: Computational docking dobutamine vs membranous_glomerulonephritis targets. Cross-check dobutamine pharmacophore against membranous_glomerulonephritis pathway. bevantolol dilated_cardiomyopathy GAP_LOW 0.1003 0.047619047619047616 milrinone Low-priority: Computational docking bevantolol vs dilated_cardiomyopathy targets. Cross-check bevantolol pharmacophore against dilated_cardiomyopathy pathway. thalidomide chronic_kidney_failure GAP_LOW 0.1003 0.041666666666666664 acetylsalicylic_acid Low-priority: Computational docking thalidomide vs chronic_kidney_failure targets. Cross-check thalidomide pharmacophore against chronic_kidney_failure pathway. clonazepam alopecia_areata GAP_LOW 0.1003 0.034482758620689655 levorphanol Low-priority: Computational docking clonazepam vs alopecia_areata targets. Cross-check clonazepam pharmacophore against alopecia_areata pathway. etonogestrel lymphatic_system_cancer GAP_LOW 0.1003 0.02857142857142857 adenosine_triphosphate Low-priority: Computational docking etonogestrel vs lymphatic_system_cancer targets. Cross-check etonogestrel pharmacophore against lymphatic_system_cancer pathway. acetic_acid idiopathic_pulmonary_fibrosis GAP_LOW 0.1003 0.0 hydrocortisone Low-priority: Computational docking acetic_acid vs idiopathic_pulmonary_fibrosis targets. Cross-check acetic_acid pharmacophore against idiopathic_pulmonary_fibrosis pathway. cytarabine malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking cytarabine vs malaria targets. Cross-check cytarabine pharmacophore against malaria pathway. dasatinib malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking dasatinib vs malaria targets. Cross-check dasatinib pharmacophore against malaria pathway. imatinib malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking imatinib vs malaria targets. Cross-check imatinib pharmacophore against malaria pathway. loratadine head_and_neck_cancer GAP_LOW 0.1003 0.0 hydrocortisone Low-priority: Computational docking loratadine vs head_and_neck_cancer targets. Cross-check loratadine pharmacophore against head_and_neck_cancer pathway. loratadine malignant_glioma GAP_LOW 0.1003 0.0 hydrocortisone Low-priority: Computational docking loratadine vs malignant_glioma targets. Cross-check loratadine pharmacophore against malignant_glioma pathway. nilotinib malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking nilotinib vs malaria targets. Cross-check nilotinib pharmacophore against malaria pathway. thalidomide malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking thalidomide vs malaria targets. Cross-check thalidomide pharmacophore against malaria pathway. vorinostat malaria GAP_LOW 0.1003 0.0 ethotoin Low-priority: Computational docking vorinostat vs malaria targets. Cross-check vorinostat pharmacophore against malaria pathway. chlorpromazine thymus_cancer GAP_HIGH 0.1002 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) tamoxifen penile_cancer GAP_HIGH 0.1002 0.25 diphenylpyraline High-priority: Binding assay tamoxifen→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.25) bevantolol vulva_cancer GAP_HIGH 0.1002 0.18518518518518517 ifenprodil High-priority: Binding assay bevantolol→?; validate in vulva_cancer cell model. Expected: similar to ifenprodil (Jaccard=0.19) buclizine melanoma GAP_HIGH 0.1002 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in melanoma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) acetophenazine prostate_cancer GAP_HIGH 0.1002 0.18181818181818182 propericiazine High-priority: Binding assay acetophenazine→?; validate in prostate_cancer cell model. Expected: similar to propericiazine (Jaccard=0.18) cyclopentolate esophageal_cancer GAP_HIGH 0.1002 0.16666666666666666 tamoxifen High-priority: Binding assay cyclopentolate→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) l-histidine ulcerative_colitis GAP_HIGH 0.1002 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in ulcerative_colitis cell model. Expected: similar to l-tyrosine (Jaccard=0.17) procaine idiopathic_pulmonary_fibrosis GAP_HIGH 0.1002 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to drospirenone (Jaccard=0.15) adenosine_triphosphate pancreatitis GAP_LOW 0.1002 0.1388888888888889 entecavir Low-priority: Computational docking adenosine_triphosphate vs pancreatitis targets. Cross-check adenosine_triphosphate pharmacophore against pancreatitis pathway. adenine polycystic_ovary_syndrome GAP_LOW 0.1002 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs polycystic_ovary_syndrome targets. Cross-check adenine pharmacophore against polycystic_ovary_syndrome pathway. adenine type_2_diabetes_mellitus GAP_LOW 0.1002 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs type_2_diabetes_mellitus targets. Cross-check adenine pharmacophore against type_2_diabetes_mellitus pathway. adenine vitiligo GAP_LOW 0.1002 0.13333333333333333 moricizine Low-priority: Computational docking adenine vs vitiligo targets. Cross-check adenine pharmacophore against vitiligo pathway. diclofenac pharynx_cancer GAP_LOW 0.1002 0.13333333333333333 thalidomide Low-priority: Computational docking diclofenac vs pharynx_cancer targets. Cross-check diclofenac pharmacophore against pharynx_cancer pathway. estradiol_valeratedienogest membranous_glomerulonephritis GAP_LOW 0.1002 0.13043478260869565 dimetacrine Low-priority: Computational docking estradiol_valeratedienogest vs membranous_glomerulonephritis targets. Cross-check estradiol_valeratedienogest pharmacophore against membranous_glomerulonephritis pathway. epirubicin azoospermia GAP_LOW 0.1002 0.125 butenafine Low-priority: Computational docking epirubicin vs azoospermia targets. Cross-check epirubicin pharmacophore against azoospermia pathway. vindesine gout GAP_LOW 0.1002 0.125 epinastine Low-priority: Computational docking vindesine vs gout targets. Cross-check vindesine pharmacophore against gout pathway. indapamide atopic_dermatitis GAP_LOW 0.1002 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs atopic_dermatitis targets. Cross-check indapamide pharmacophore against atopic_dermatitis pathway. indapamide colon_cancer GAP_LOW 0.1002 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs colon_cancer targets. Cross-check indapamide pharmacophore against colon_cancer pathway. indapamide stomach_cancer GAP_LOW 0.1002 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs stomach_cancer targets. Cross-check indapamide pharmacophore against stomach_cancer pathway. lisinopril celiac_disease GAP_LOW 0.1002 0.11538461538461539 bezafibrate Low-priority: Computational docking lisinopril vs celiac_disease targets. Cross-check lisinopril pharmacophore against celiac_disease pathway. benzphetamine atherosclerosis GAP_LOW 0.1002 0.1111111111111111 warfarin Low-priority: Computational docking benzphetamine vs atherosclerosis targets. Cross-check benzphetamine pharmacophore against atherosclerosis pathway. loteprednol atherosclerosis GAP_LOW 0.1002 0.1111111111111111 clofibrate Low-priority: Computational docking loteprednol vs atherosclerosis targets. Cross-check loteprednol pharmacophore against atherosclerosis pathway. aspartame prostate_cancer GAP_LOW 0.1002 0.10526315789473684 trimipramine Low-priority: Computational docking aspartame vs prostate_cancer targets. Cross-check aspartame pharmacophore against prostate_cancer pathway. ramipril kidney_cancer GAP_LOW 0.1002 0.10526315789473684 sulfadiazine Low-priority: Computational docking ramipril vs kidney_cancer targets. Cross-check ramipril pharmacophore against kidney_cancer pathway. cinolazepam celiac_disease GAP_LOW 0.1002 0.1 anisotropine_methylbromide Low-priority: Computational docking cinolazepam vs celiac_disease targets. Cross-check cinolazepam pharmacophore against celiac_disease pathway. salbutamol meningioma GAP_LOW 0.1002 0.08333333333333333 mesalazine Low-priority: Computational docking salbutamol vs meningioma targets. Cross-check salbutamol pharmacophore against meningioma pathway. lisinopril malaria GAP_LOW 0.1002 0.07692307692307693 sulfapyridine Low-priority: Computational docking lisinopril vs malaria targets. Cross-check lisinopril pharmacophore against malaria pathway. furosemide celiac_disease GAP_LOW 0.1002 0.06666666666666667 suprofen Low-priority: Computational docking furosemide vs celiac_disease targets. Cross-check furosemide pharmacophore against celiac_disease pathway. lacosamide gestational_diabetes GAP_LOW 0.1002 0.06666666666666667 tolbutamide Low-priority: Computational docking lacosamide vs gestational_diabetes targets. Cross-check lacosamide pharmacophore against gestational_diabetes pathway. enalapril alopecia_areata GAP_LOW 0.1002 0.058823529411764705 dexamethasone Low-priority: Computational docking enalapril vs alopecia_areata targets. Cross-check enalapril pharmacophore against alopecia_areata pathway. adenosine idiopathic_pulmonary_fibrosis GAP_LOW 0.1002 0.05555555555555555 dyphylline Low-priority: Computational docking adenosine vs idiopathic_pulmonary_fibrosis targets. Cross-check adenosine pharmacophore against idiopathic_pulmonary_fibrosis pathway. l-glutamine malaria GAP_LOW 0.1002 0.008695652173913044 phensuximide Low-priority: Computational docking l-glutamine vs malaria targets. Cross-check l-glutamine pharmacophore against malaria pathway. loratadine kidney_cancer GAP_LOW 0.1002 0.0 oxybuprocaine Low-priority: Computational docking loratadine vs kidney_cancer targets. Cross-check loratadine pharmacophore against kidney_cancer pathway. streptozocin prostate_cancer GAP_LOW 0.1002 0.0 phenylbutazone Low-priority: Computational docking streptozocin vs prostate_cancer targets. Cross-check streptozocin pharmacophore against prostate_cancer pathway. bezafibrate conduct_disorder GAP_HIGH 0.1001 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in conduct_disorder cell model. Expected: similar to bromfenac (Jaccard=0.24) methadone malaria GAP_HIGH 0.1001 0.23684210526315788 modafinil High-priority: Binding assay methadone→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.24) midazolam peripheral_nervous_system_neoplasm GAP_HIGH 0.1001 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to practolol (Jaccard=0.17) paclitaxel chronic_obstructive_pulmonary_disease GAP_HIGH 0.1001 0.16666666666666666 medroxyprogesterone_acetate High-priority: Binding assay paclitaxel→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.17) chloroprocaine ocular_cancer GAP_HIGH 0.1001 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) clodronate idiopathic_pulmonary_fibrosis GAP_LOW 0.1001 0.14285714285714285 ritodrine Low-priority: Computational docking clodronate vs idiopathic_pulmonary_fibrosis targets. Cross-check clodronate pharmacophore against idiopathic_pulmonary_fibrosis pathway. ketorolac muscle_cancer GAP_LOW 0.1001 0.14285714285714285 diphemanil_methylsulfate Low-priority: Computational docking ketorolac vs muscle_cancer targets. Cross-check ketorolac pharmacophore against muscle_cancer pathway. oxazepam peripheral_nervous_system_neoplasm GAP_LOW 0.1001 0.14285714285714285 phenylbutazone Low-priority: Computational docking oxazepam vs peripheral_nervous_system_neoplasm targets. Cross-check oxazepam pharmacophore against peripheral_nervous_system_neoplasm pathway. butenafine head_and_neck_cancer GAP_LOW 0.1001 0.125 epirubicin Low-priority: Computational docking butenafine vs head_and_neck_cancer targets. Cross-check butenafine pharmacophore against head_and_neck_cancer pathway. butenafine malignant_glioma GAP_LOW 0.1001 0.125 epirubicin Low-priority: Computational docking butenafine vs malignant_glioma targets. Cross-check butenafine pharmacophore against malignant_glioma pathway. indapamide pancreatic_cancer GAP_LOW 0.1001 0.12121212121212122 fenoprofen Low-priority: Computational docking indapamide vs pancreatic_cancer targets. Cross-check indapamide pharmacophore against pancreatic_cancer pathway. probenecid salivary_gland_cancer GAP_LOW 0.1001 0.1206896551724138 metoclopramide Low-priority: Computational docking probenecid vs salivary_gland_cancer targets. Cross-check probenecid pharmacophore against salivary_gland_cancer pathway. aprindine alopecia_areata GAP_LOW 0.1001 0.11764705882352941 levorphanol Low-priority: Computational docking aprindine vs alopecia_areata targets. Cross-check aprindine pharmacophore against alopecia_areata pathway. ramipril penile_cancer GAP_LOW 0.1001 0.11764705882352941 doxorubicin Low-priority: Computational docking ramipril vs penile_cancer targets. Cross-check ramipril pharmacophore against penile_cancer pathway. crizotinib refractive_error GAP_LOW 0.1001 0.1111111111111111 acetazolamide Low-priority: Computational docking crizotinib vs refractive_error targets. Cross-check crizotinib pharmacophore against refractive_error pathway. mazindol acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.1111111111111111 nateglinide Low-priority: Computational docking mazindol vs acquired_immunodeficiency_syndrome targets. Cross-check mazindol pharmacophore against acquired_immunodeficiency_syndrome pathway. tolmetin creutzfeldt-jakob_disease GAP_LOW 0.1001 0.1111111111111111 pseudoephedrine Low-priority: Computational docking tolmetin vs creutzfeldt-jakob_disease targets. Cross-check tolmetin pharmacophore against creutzfeldt-jakob_disease pathway. ramipril refractive_error GAP_LOW 0.1001 0.10526315789473684 sotalol Low-priority: Computational docking ramipril vs refractive_error targets. Cross-check ramipril pharmacophore against refractive_error pathway. cyproterone_acetate chronic_kidney_failure GAP_LOW 0.1001 0.1 ergocalciferol Low-priority: Computational docking cyproterone_acetate vs chronic_kidney_failure targets. Cross-check cyproterone_acetate pharmacophore against chronic_kidney_failure pathway. testosterone membranous_glomerulonephritis GAP_LOW 0.1001 0.1 adefovir_dipivoxil Low-priority: Computational docking testosterone vs membranous_glomerulonephritis targets. Cross-check testosterone pharmacophore against membranous_glomerulonephritis pathway. furosemide melanoma GAP_LOW 0.1001 0.09090909090909091 procarbazine Low-priority: Computational docking furosemide vs melanoma targets. Cross-check furosemide pharmacophore against melanoma pathway. indapamide nephrolithiasis GAP_LOW 0.1001 0.09090909090909091 methyclothiazide Low-priority: Computational docking indapamide vs nephrolithiasis targets. Cross-check indapamide pharmacophore against nephrolithiasis pathway. tretinoin multiple_sclerosis GAP_LOW 0.1001 0.09090909090909091 desipramine Low-priority: Computational docking tretinoin vs multiple_sclerosis targets. Cross-check tretinoin pharmacophore against multiple_sclerosis pathway. stanozolol epilepsy_syndrome GAP_LOW 0.1001 0.08333333333333333 aprindine Low-priority: Computational docking stanozolol vs epilepsy_syndrome targets. Cross-check stanozolol pharmacophore against epilepsy_syndrome pathway. clodronate acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.06666666666666667 nateglinide Low-priority: Computational docking clodronate vs acquired_immunodeficiency_syndrome targets. Cross-check clodronate pharmacophore against acquired_immunodeficiency_syndrome pathway. ceruletide hypertension GAP_LOW 0.1001 0.05555555555555555 testosterone_propionate Low-priority: Computational docking ceruletide vs hypertension targets. Cross-check ceruletide pharmacophore against hypertension pathway. desogestrel gilles_de_la_tourette_syndrome GAP_LOW 0.1001 0.05555555555555555 clotrimazole Low-priority: Computational docking desogestrel vs gilles_de_la_tourette_syndrome targets. Cross-check desogestrel pharmacophore against gilles_de_la_tourette_syndrome pathway. vandetanib gestational_diabetes GAP_LOW 0.1001 0.05 gliclazide Low-priority: Computational docking vandetanib vs gestational_diabetes targets. Cross-check vandetanib pharmacophore against gestational_diabetes pathway. indecainide leprosy GAP_LOW 0.1001 0.023255813953488372 phensuximide Low-priority: Computational docking indecainide vs leprosy targets. Cross-check indecainide pharmacophore against leprosy pathway. alfacalcidol acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking alfacalcidol vs acquired_immunodeficiency_syndrome targets. Cross-check alfacalcidol pharmacophore against acquired_immunodeficiency_syndrome pathway. calcidiol acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking calcidiol vs acquired_immunodeficiency_syndrome targets. Cross-check calcidiol pharmacophore against acquired_immunodeficiency_syndrome pathway. calcipotriol acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking calcipotriol vs acquired_immunodeficiency_syndrome targets. Cross-check calcipotriol pharmacophore against acquired_immunodeficiency_syndrome pathway. ceruletide acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking ceruletide vs acquired_immunodeficiency_syndrome targets. Cross-check ceruletide pharmacophore against acquired_immunodeficiency_syndrome pathway. chlorphenesin acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking chlorphenesin vs acquired_immunodeficiency_syndrome targets. Cross-check chlorphenesin pharmacophore against acquired_immunodeficiency_syndrome pathway. dihydrotachysterol acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking dihydrotachysterol vs acquired_immunodeficiency_syndrome targets. Cross-check dihydrotachysterol pharmacophore against acquired_immunodeficiency_syndrome pathway. doxapram acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking doxapram vs acquired_immunodeficiency_syndrome targets. Cross-check doxapram pharmacophore against acquired_immunodeficiency_syndrome pathway. ethotoin acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking ethotoin vs acquired_immunodeficiency_syndrome targets. Cross-check ethotoin pharmacophore against acquired_immunodeficiency_syndrome pathway. loratadine nephrolithiasis GAP_LOW 0.1001 0.0 hydrocortisone Low-priority: Computational docking loratadine vs nephrolithiasis targets. Cross-check loratadine pharmacophore against nephrolithiasis pathway. olanzapine acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking olanzapine vs acquired_immunodeficiency_syndrome targets. Cross-check olanzapine pharmacophore against acquired_immunodeficiency_syndrome pathway. streptozocin mediastinal_cancer GAP_LOW 0.1001 0.0 hydrocortisone Low-priority: Computational docking streptozocin vs mediastinal_cancer targets. Cross-check streptozocin pharmacophore against mediastinal_cancer pathway. theophylline focal_segmental_glomerulosclerosis GAP_LOW 0.1001 0.0 methdilazine Low-priority: Computational docking theophylline vs focal_segmental_glomerulosclerosis targets. Cross-check theophylline pharmacophore against focal_segmental_glomerulosclerosis pathway. tolazamide nephrolithiasis GAP_LOW 0.1001 0.0 hydrocortisone Low-priority: Computational docking tolazamide vs nephrolithiasis targets. Cross-check tolazamide pharmacophore against nephrolithiasis pathway. ziprasidone acquired_immunodeficiency_syndrome GAP_LOW 0.1001 0.0 mitiglinide Low-priority: Computational docking ziprasidone vs acquired_immunodeficiency_syndrome targets. Cross-check ziprasidone pharmacophore against acquired_immunodeficiency_syndrome pathway. pseudoephedrine testicular_cancer GAP_HIGH 0.1 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) pseudoephedrine vaginal_cancer GAP_HIGH 0.1 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in vaginal_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) pseudoephedrine vulva_cancer GAP_HIGH 0.1 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in vulva_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) methdilazine melanoma GAP_HIGH 0.1 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.24) oxaprozin pharynx_cancer GAP_HIGH 0.1 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) propafenone systemic_scleroderma GAP_HIGH 0.1 0.19230769230769232 trimipramine High-priority: Binding assay propafenone→?; validate in systemic_scleroderma cell model. Expected: similar to trimipramine (Jaccard=0.19) propafenone uterine_cancer GAP_HIGH 0.1 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in uterine_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) butenafine kidney_cancer SPECULATIVE 0.1 0.125 epirubicin Speculative: Review butenafine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. butenafine nephrolithiasis SPECULATIVE 0.1 0.125 epirubicin Speculative: Review butenafine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. oxybuprocaine germ_cell_cancer SPECULATIVE 0.1 0.12 drospirenone Speculative: Review oxybuprocaine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. propafenone larynx_cancer SPECULATIVE 0.1 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methadyl_acetate refractive_error SPECULATIVE 0.1 0.1111111111111111 metaraminol Speculative: Review methadyl_acetate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. aspartame mediastinal_cancer SPECULATIVE 0.1 0.10526315789473684 trimipramine Speculative: Review aspartame off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. danazol creutzfeldt-jakob_disease SPECULATIVE 0.1 0.1 raloxifene Speculative: Review danazol off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. estazolam mediastinal_cancer SPECULATIVE 0.1 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. diethylpropion malignant_glioma SPECULATIVE 0.1 0.09523809523809523 drospirenone Speculative: Review diethylpropion off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alitretinoin autistic_disorder SPECULATIVE 0.1 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. alitretinoin nicotine_dependence SPECULATIVE 0.1 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. methadyl_acetate larynx_cancer SPECULATIVE 0.1 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salicylate-sodium gestational_diabetes SPECULATIVE 0.1 0.09090909090909091 tolbutamide Speculative: Review salicylate-sodium off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. flurazepam salivary_gland_cancer SPECULATIVE 0.1 0.08695652173913043 phenylbutazone Speculative: Review flurazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. lenalidomide pancreatitis SPECULATIVE 0.1 0.07692307692307693 phenylpropanolamine Speculative: Review lenalidomide off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. norelgestromin narcolepsy SPECULATIVE 0.1 0.07692307692307693 tamoxifen Speculative: Review norelgestromin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. afatinib lymphatic_system_cancer SPECULATIVE 0.1 0.06666666666666667 vinblastine Speculative: Review afatinib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. zafirlukast urinary_bladder_cancer SPECULATIVE 0.1 0.06666666666666667 aspartame Speculative: Review zafirlukast off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. trilostane glaucoma SPECULATIVE 0.1 0.0625 l-dopa Speculative: Review trilostane off-target effects vs glaucoma mechanism. Phenotypic screen recommended. acetylsalicylic_acid bone_cancer SPECULATIVE 0.1 0.05555555555555555 histamine_phosphate Speculative: Review acetylsalicylic_acid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ethotoin type_1_diabetes_mellitus SPECULATIVE 0.1 0.05128205128205128 bezafibrate Speculative: Review ethotoin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. imipramine atherosclerosis SPECULATIVE 0.1 0.045454545454545456 acetylsalicylic_acid Speculative: Review imipramine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. zafirlukast malignant_mesothelioma SPECULATIVE 0.1 0.045454545454545456 melphalan Speculative: Review zafirlukast off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. pralatrexate malaria SPECULATIVE 0.1 0.038461538461538464 sulfapyridine Speculative: Review pralatrexate off-target effects vs malaria mechanism. Phenotypic screen recommended. l-glutamine larynx_cancer SPECULATIVE 0.1 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. acetic_acid gout SPECULATIVE 0.1 0.0 methdilazine Speculative: Review acetic_acid off-target effects vs gout mechanism. Phenotypic screen recommended. acetic_acid primary_biliary_cirrhosis SPECULATIVE 0.1 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. antazoline leprosy SPECULATIVE 0.1 0.0 sulfapyridine Speculative: Review antazoline off-target effects vs leprosy mechanism. Phenotypic screen recommended. cinnarizine leprosy SPECULATIVE 0.1 0.0 sulfapyridine Speculative: Review cinnarizine off-target effects vs leprosy mechanism. Phenotypic screen recommended. colchicine gilles_de_la_tourette_syndrome SPECULATIVE 0.1 0.0 loxapine Speculative: Review colchicine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diphenidol leprosy SPECULATIVE 0.1 0.0 sulfapyridine Speculative: Review diphenidol off-target effects vs leprosy mechanism. Phenotypic screen recommended. dyphylline gilles_de_la_tourette_syndrome SPECULATIVE 0.1 0.0 loxapine Speculative: Review dyphylline off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. teniposide leprosy SPECULATIVE 0.1 0.0 sulfapyridine Speculative: Review teniposide off-target effects vs leprosy mechanism. Phenotypic screen recommended. theophylline gilles_de_la_tourette_syndrome SPECULATIVE 0.1 0.0 loxapine Speculative: Review theophylline off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine vascular_cancer GAP_HIGH 0.0999 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in vascular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.27) modafinil membranous_glomerulonephritis GAP_HIGH 0.0999 0.2692307692307692 promethazine High-priority: Binding assay modafinil→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.27) phenytoin duodenum_cancer GAP_HIGH 0.0999 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in duodenum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) phenytoin gallbladder_cancer GAP_HIGH 0.0999 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in gallbladder_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) chlorcyclizine meningioma GAP_HIGH 0.0999 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.25) bezafibrate bipolar_disorder GAP_HIGH 0.0999 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in bipolar_disorder cell model. Expected: similar to bromfenac (Jaccard=0.24) spironolactone amyotrophic_lateral_sclerosis GAP_HIGH 0.0999 0.23809523809523808 fludrocortisone High-priority: Binding assay spironolactone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.24) olsalazine narcolepsy GAP_HIGH 0.0999 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in narcolepsy cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) acetophenazine sarcoma GAP_HIGH 0.0999 0.2 atropine High-priority: Binding assay acetophenazine→?; validate in sarcoma cell model. Expected: similar to atropine (Jaccard=0.20) l-serine chronic_obstructive_pulmonary_disease GAP_HIGH 0.0999 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to l-histidine (Jaccard=0.19) ketoprofen autistic_disorder GAP_HIGH 0.0999 0.16666666666666666 lisdexamfetamine High-priority: Binding assay ketoprofen→?; validate in autistic_disorder cell model. Expected: similar to lisdexamfetamine (Jaccard=0.17) ketoprofen nicotine_dependence GAP_HIGH 0.0999 0.16666666666666666 lisdexamfetamine High-priority: Binding assay ketoprofen→?; validate in nicotine_dependence cell model. Expected: similar to lisdexamfetamine (Jaccard=0.17) adenosine_monophosphate pancreatitis GAP_HIGH 0.0999 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in pancreatitis cell model. Expected: similar to entecavir (Jaccard=0.16) procaine primary_biliary_cirrhosis GAP_HIGH 0.0999 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to drospirenone (Jaccard=0.15) adenosine_monophosphate duodenum_cancer SPECULATIVE 0.0999 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate gallbladder_cancer SPECULATIVE 0.0999 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine hepatitis_b SPECULATIVE 0.0999 0.14285714285714285 nateglinide Speculative: Review phenylpropanolamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. sunitinib refractive_error SPECULATIVE 0.0999 0.14285714285714285 dinoprost_tromethamine Speculative: Review sunitinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. diclofenac thyroid_cancer SPECULATIVE 0.0999 0.13333333333333333 thalidomide Speculative: Review diclofenac off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. drostanolone epilepsy_syndrome SPECULATIVE 0.0999 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. nitrazepam duodenum_cancer SPECULATIVE 0.0999 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. nitrazepam gallbladder_cancer SPECULATIVE 0.0999 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. indapamide ovarian_cancer SPECULATIVE 0.0999 0.12121212121212122 fenoprofen Speculative: Review indapamide off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. probenecid ocular_cancer SPECULATIVE 0.0999 0.1206896551724138 metoclopramide Speculative: Review probenecid off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. pargyline malaria SPECULATIVE 0.0999 0.11764705882352941 tranylcypromine Speculative: Review pargyline off-target effects vs malaria mechanism. Phenotypic screen recommended. ramipril malignant_mesothelioma SPECULATIVE 0.0999 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. aspartame thymus_cancer SPECULATIVE 0.0999 0.10526315789473684 trimipramine Speculative: Review aspartame off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. ramipril celiac_disease SPECULATIVE 0.0999 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. indapamide penile_cancer SPECULATIVE 0.0999 0.1 procarbazine Speculative: Review indapamide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. lapatinib brain_cancer SPECULATIVE 0.0999 0.1 megestrol_acetate Speculative: Review lapatinib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lapatinib intracranial_aneurysm SPECULATIVE 0.0999 0.1 dexamethasone Speculative: Review lapatinib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. levonorgestrel creutzfeldt-jakob_disease SPECULATIVE 0.0999 0.1 raloxifene Speculative: Review levonorgestrel off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. estazolam thymus_cancer SPECULATIVE 0.0999 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. etidronic_acid primary_biliary_cirrhosis SPECULATIVE 0.0999 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. furosemide coronary_artery_disease SPECULATIVE 0.0999 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. adenine hepatitis_b SPECULATIVE 0.0999 0.08333333333333333 emtricitabine Speculative: Review adenine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. allylestrenol narcolepsy SPECULATIVE 0.0999 0.08333333333333333 tamoxifen Speculative: Review allylestrenol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. pimozide kidney_cancer SPECULATIVE 0.0999 0.07692307692307693 proparacaine Speculative: Review pimozide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. erlotinib gestational_diabetes SPECULATIVE 0.0999 0.047619047619047616 gliclazide Speculative: Review erlotinib off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ethotoin esophageal_cancer SPECULATIVE 0.0999 0.047619047619047616 pantoprazole Speculative: Review ethotoin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. cyproheptadine bone_cancer SPECULATIVE 0.0999 0.0 ibandronate Speculative: Review cyproheptadine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyproheptadine gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review cyproheptadine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. difenoxin bone_cancer SPECULATIVE 0.0999 0.0 ibandronate Speculative: Review difenoxin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. disopyramide bone_cancer SPECULATIVE 0.0999 0.0 ibandronate Speculative: Review disopyramide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. disopyramide gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review disopyramide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. drostanolone gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review drostanolone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dyphylline type_1_diabetes_mellitus SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review dyphylline off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. isocarboxazid bone_cancer SPECULATIVE 0.0999 0.0 ibandronate Speculative: Review isocarboxazid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. isocarboxazid gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review isocarboxazid off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ketazolam type_1_diabetes_mellitus SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. linaclotide salivary_gland_cancer SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review linaclotide off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. loratadine celiac_disease SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review loratadine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. oxazepam gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review oxazepam off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pentostatin gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review pentostatin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. phenmetrazine bone_cancer SPECULATIVE 0.0999 0.0 ibandronate Speculative: Review phenmetrazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. phenmetrazine gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review phenmetrazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. prazepam type_1_diabetes_mellitus SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. streptozocin thymus_cancer SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review streptozocin off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. theophylline type_1_diabetes_mellitus SPECULATIVE 0.0999 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. vidarabine gestational_diabetes SPECULATIVE 0.0999 0.0 tolazamide Speculative: Review vidarabine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. bezafibrate endogenous_depression GAP_HIGH 0.0998 0.2413793103448276 bromfenac High-priority: Binding assay bezafibrate→?; validate in endogenous_depression cell model. Expected: similar to bromfenac (Jaccard=0.24) phenytoin gilles_de_la_tourette_syndrome GAP_HIGH 0.0998 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to phenylbutazone (Jaccard=0.22) acetylsalicylic_acid coronary_artery_disease GAP_HIGH 0.0998 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in coronary_artery_disease cell model. Expected: similar to salicylic_acid (Jaccard=0.20) acetylsalicylic_acid hematologic_cancer GAP_HIGH 0.0998 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in hematologic_cancer cell model. Expected: similar to salicylic_acid (Jaccard=0.20) phenelzine lung_cancer GAP_HIGH 0.0998 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) phenelzine rectum_cancer GAP_HIGH 0.0998 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) buclizine sclerosing_cholangitis GAP_HIGH 0.0998 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) bromodiphenhydramine pharynx_cancer GAP_HIGH 0.0998 0.16666666666666666 methadone High-priority: Binding assay bromodiphenhydramine→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.17) l-histidine metabolic_syndrome_x GAP_HIGH 0.0998 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in metabolic_syndrome_x cell model. Expected: similar to l-tyrosine (Jaccard=0.17) bethanidine meningioma GAP_HIGH 0.0998 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.16) fosphenytoin penile_cancer GAP_HIGH 0.0998 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) floctafenine uterine_cancer GAP_HIGH 0.0998 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in uterine_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) teniposide alzheimers_disease SPECULATIVE 0.0998 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. ketoprofen azoospermia SPECULATIVE 0.0998 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs azoospermia mechanism. Phenotypic screen recommended. butenafine celiac_disease SPECULATIVE 0.0998 0.125 reboxetine Speculative: Review butenafine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. testosterone epilepsy_syndrome SPECULATIVE 0.0998 0.125 loperamide Speculative: Review testosterone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. vismodegib esophageal_cancer SPECULATIVE 0.0998 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. sulfamethizole alzheimers_disease SPECULATIVE 0.0998 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. methotrimeprazine alcohol_dependence SPECULATIVE 0.0998 0.10526315789473684 temazepam Speculative: Review methotrimeprazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. trandolapril glaucoma SPECULATIVE 0.0998 0.10526315789473684 sotalol Speculative: Review trandolapril off-target effects vs glaucoma mechanism. Phenotypic screen recommended. enalapril melanoma SPECULATIVE 0.0998 0.1 doxorubicin Speculative: Review enalapril off-target effects vs melanoma mechanism. Phenotypic screen recommended. topotecan hepatitis_b SPECULATIVE 0.0998 0.1 trandolapril Speculative: Review topotecan off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. flunarizine type_1_diabetes_mellitus SPECULATIVE 0.0998 0.09090909090909091 benzatropine Speculative: Review flunarizine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. topotecan malaria SPECULATIVE 0.0998 0.09090909090909091 sulfanilamide Speculative: Review topotecan off-target effects vs malaria mechanism. Phenotypic screen recommended. furosemide hematologic_cancer SPECULATIVE 0.0998 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. furosemide narcolepsy SPECULATIVE 0.0998 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. flunarizine alopecia_areata SPECULATIVE 0.0998 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenylpropanolamine dilated_cardiomyopathy SPECULATIVE 0.0998 0.08333333333333333 milrinone Speculative: Review phenylpropanolamine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ceruletide migraine SPECULATIVE 0.0998 0.05555555555555555 testosterone_propionate Speculative: Review ceruletide off-target effects vs migraine mechanism. Phenotypic screen recommended. methadyl_acetate acquired_immunodeficiency_syndrome SPECULATIVE 0.0998 0.05263157894736842 nateglinide Speculative: Review methadyl_acetate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. regadenoson celiac_disease SPECULATIVE 0.0998 0.05 tioguanine Speculative: Review regadenoson off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. vitamin_a crohns_disease SPECULATIVE 0.0998 0.05 sorafenib Speculative: Review vitamin_a off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. clonazepam brain_cancer SPECULATIVE 0.0998 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. clonazepam intracranial_aneurysm SPECULATIVE 0.0998 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. imatinib head_and_neck_cancer SPECULATIVE 0.0998 0.038461538461538464 vincristine Speculative: Review imatinib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. imatinib malignant_glioma SPECULATIVE 0.0998 0.038461538461538464 vincristine Speculative: Review imatinib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. imatinib intracranial_aneurysm SPECULATIVE 0.0998 0.03333333333333333 alendronate Speculative: Review imatinib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. acetic_acid coronary_artery_disease SPECULATIVE 0.0998 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. acetic_acid hematologic_cancer SPECULATIVE 0.0998 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. acetic_acid narcolepsy SPECULATIVE 0.0998 0.0 phenylbutazone Speculative: Review acetic_acid off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. linaclotide muscle_cancer SPECULATIVE 0.0998 0.0 hydrocortisone Speculative: Review linaclotide off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. travoprost hepatitis_b SPECULATIVE 0.0998 0.0 mitiglinide Speculative: Review travoprost off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. promethazine salivary_gland_cancer GAP_HIGH 0.0997 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) perphenazine sclerosing_cholangitis GAP_HIGH 0.0997 0.23529411764705882 temazepam High-priority: Binding assay perphenazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to temazepam (Jaccard=0.24) buclizine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0997 0.175 diphenhydramine High-priority: Binding assay buclizine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.17) bepridil refractive_error GAP_HIGH 0.0997 0.16666666666666666 decamethonium High-priority: Binding assay bepridil→?; validate in refractive_error cell model. Expected: similar to decamethonium (Jaccard=0.17) methyldopa malaria GAP_HIGH 0.0997 0.16666666666666666 sulfapyridine High-priority: Binding assay methyldopa→?; validate in malaria cell model. Expected: similar to sulfapyridine (Jaccard=0.17) procaine pharynx_cancer GAP_HIGH 0.0997 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) pseudoephedrine lymphatic_system_cancer GAP_HIGH 0.0997 0.16216216216216217 glucosamine High-priority: Binding assay pseudoephedrine→?; validate in lymphatic_system_cancer cell model. Expected: similar to glucosamine (Jaccard=0.16) floctafenine sarcoma GAP_HIGH 0.0997 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in sarcoma cell model. Expected: similar to fluorometholone (Jaccard=0.15) lacosamide gilles_de_la_tourette_syndrome GAP_HIGH 0.0997 0.15384615384615385 remifentanil High-priority: Binding assay lacosamide→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to remifentanil (Jaccard=0.15) flurandrenolide membranous_glomerulonephritis SPECULATIVE 0.0997 0.14285714285714285 floctafenine Speculative: Review flurandrenolide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. ketorolac urinary_bladder_cancer SPECULATIVE 0.0997 0.14285714285714285 diphemanil_methylsulfate Speculative: Review ketorolac off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. teniposide autistic_disorder SPECULATIVE 0.0997 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. teniposide nicotine_dependence SPECULATIVE 0.0997 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. teniposide parkinsons_disease SPECULATIVE 0.0997 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. pazopanib brain_cancer SPECULATIVE 0.0997 0.13333333333333333 methotrexate Speculative: Review pazopanib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pazopanib intracranial_aneurysm SPECULATIVE 0.0997 0.13333333333333333 methotrexate Speculative: Review pazopanib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. methamphetamine chronic_kidney_failure SPECULATIVE 0.0997 0.13043478260869565 trimipramine Speculative: Review methamphetamine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. buclizine hepatitis_b SPECULATIVE 0.0997 0.12903225806451613 nateglinide Speculative: Review buclizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tolmetin vaginal_cancer SPECULATIVE 0.0997 0.125 flurandrenolide Speculative: Review tolmetin off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. clonidine malaria SPECULATIVE 0.0997 0.1111111111111111 warfarin Speculative: Review clonidine off-target effects vs malaria mechanism. Phenotypic screen recommended. sulfamethizole nicotine_dependence SPECULATIVE 0.0997 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. lisinopril glaucoma SPECULATIVE 0.0997 0.10526315789473684 sotalol Speculative: Review lisinopril off-target effects vs glaucoma mechanism. Phenotypic screen recommended. oxybuprocaine esophageal_cancer SPECULATIVE 0.0997 0.0967741935483871 fludrocortisone Speculative: Review oxybuprocaine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. estazolam meningioma SPECULATIVE 0.0997 0.09090909090909091 phenylbutazone Speculative: Review estazolam off-target effects vs meningioma mechanism. Phenotypic screen recommended. diazepam atherosclerosis SPECULATIVE 0.0997 0.08823529411764706 flurbiprofen Speculative: Review diazepam off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. flurazepam ocular_cancer SPECULATIVE 0.0997 0.08695652173913043 phenylbutazone Speculative: Review flurazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. lenalidomide lung_cancer SPECULATIVE 0.0997 0.07692307692307693 l-dopa Speculative: Review lenalidomide off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. lenalidomide rectum_cancer SPECULATIVE 0.0997 0.07692307692307693 l-dopa Speculative: Review lenalidomide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. diclofenac hepatitis_b SPECULATIVE 0.0997 0.06666666666666667 glucosamine Speculative: Review diclofenac off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. lenalidomide meningioma SPECULATIVE 0.0997 0.058823529411764705 sorafenib Speculative: Review lenalidomide off-target effects vs meningioma mechanism. Phenotypic screen recommended. clofarabine type_1_diabetes_mellitus SPECULATIVE 0.0997 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. telbivudine azoospermia SPECULATIVE 0.0997 0.05 procaine Speculative: Review telbivudine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. flurazepam brain_cancer SPECULATIVE 0.0997 0.047619047619047616 levorphanol Speculative: Review flurazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. felypressin alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. indomethacin alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review indomethacin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. linaclotide ocular_cancer SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review linaclotide off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. oxyphenonium alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review oxyphenonium off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pasireotide alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. treprostinil alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trifluridine alopecia_areata SPECULATIVE 0.0997 0.0 hydrocortisone Speculative: Review trifluridine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pseudoephedrine uterine_fibroid GAP_HIGH 0.0996 0.2727272727272727 thalidomide High-priority: Binding assay pseudoephedrine→?; validate in uterine_fibroid cell model. Expected: similar to thalidomide (Jaccard=0.27) phenelzine liver_cancer GAP_HIGH 0.0996 0.2 etoricoxib High-priority: Binding assay phenelzine→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.20) prochlorperazine sarcoma GAP_HIGH 0.0996 0.2 atropine High-priority: Binding assay prochlorperazine→?; validate in sarcoma cell model. Expected: similar to atropine (Jaccard=0.20) dexamethasone type_1_diabetes_mellitus GAP_HIGH 0.0996 0.17647058823529413 betamethasone High-priority: Binding assay dexamethasone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to betamethasone (Jaccard=0.18) desipramine focal_segmental_glomerulosclerosis GAP_HIGH 0.0996 0.16666666666666666 cyamemazine High-priority: Binding assay desipramine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to cyamemazine (Jaccard=0.17) adenosine_monophosphate lung_cancer GAP_HIGH 0.0996 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in lung_cancer cell model. Expected: similar to entecavir (Jaccard=0.16) adenosine_monophosphate rectum_cancer GAP_HIGH 0.0996 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in rectum_cancer cell model. Expected: similar to entecavir (Jaccard=0.16) teniposide psoriatic_arthritis GAP_HIGH 0.0996 0.15384615384615385 voacamine High-priority: Binding assay teniposide→?; validate in psoriatic_arthritis cell model. Expected: similar to voacamine (Jaccard=0.15) adenosine_triphosphate duodenum_cancer SPECULATIVE 0.0996 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate gallbladder_cancer SPECULATIVE 0.0996 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. tolmetin testicular_cancer SPECULATIVE 0.0996 0.125 flurandrenolide Speculative: Review tolmetin off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. mestranol glaucoma SPECULATIVE 0.0996 0.1111111111111111 carboprost_tromethamine Speculative: Review mestranol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. sulfaphenazole chronic_kidney_failure SPECULATIVE 0.0996 0.1 mefenamic_acid Speculative: Review sulfaphenazole off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. desogestrel parkinsons_disease SPECULATIVE 0.0996 0.09090909090909091 raloxifene Speculative: Review desogestrel off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. etidronic_acid hematologic_cancer SPECULATIVE 0.0996 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. zidovudine prostate_cancer SPECULATIVE 0.0996 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. levomilnacipran meningioma SPECULATIVE 0.0996 0.08 methadone Speculative: Review levomilnacipran off-target effects vs meningioma mechanism. Phenotypic screen recommended. cladribine type_1_diabetes_mellitus SPECULATIVE 0.0996 0.07692307692307693 tioguanine Speculative: Review cladribine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. trandolapril malaria SPECULATIVE 0.0996 0.07692307692307693 sulfapyridine Speculative: Review trandolapril off-target effects vs malaria mechanism. Phenotypic screen recommended. dipivefrin prostate_cancer SPECULATIVE 0.0996 0.07142857142857142 ifenprodil Speculative: Review dipivefrin off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. difenoxin larynx_cancer SPECULATIVE 0.0996 0.0625 procarbazine Speculative: Review difenoxin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. masoprocol alcohol_dependence SPECULATIVE 0.0996 0.0625 mazindol Speculative: Review masoprocol off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcidiol celiac_disease SPECULATIVE 0.0996 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-glutamine hepatitis_b SPECULATIVE 0.0996 0.018867924528301886 adenosine_triphosphate Speculative: Review l-glutamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. promethazine ocular_cancer GAP_HIGH 0.0995 0.2692307692307692 modafinil High-priority: Binding assay promethazine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.27) amitriptyline duodenum_cancer GAP_HIGH 0.0995 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in duodenum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) amitriptyline gallbladder_cancer GAP_HIGH 0.0995 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in gallbladder_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) nateglinide germ_cell_cancer GAP_HIGH 0.0995 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in germ_cell_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) propafenone vulva_cancer GAP_HIGH 0.0995 0.1875 desipramine High-priority: Binding assay propafenone→?; validate in vulva_cancer cell model. Expected: similar to desipramine (Jaccard=0.19) cyclopentolate membranous_glomerulonephritis GAP_HIGH 0.0995 0.18181818181818182 naftifine High-priority: Binding assay cyclopentolate→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.18) cabazitaxel prostate_cancer SPECULATIVE 0.0995 0.14285714285714285 pantoprazole Speculative: Review cabazitaxel off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. clodronate narcolepsy SPECULATIVE 0.0995 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. diclofenac muscle_cancer SPECULATIVE 0.0995 0.13333333333333333 thalidomide Speculative: Review diclofenac off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. sulfamethizole attention_deficit_hyperactivity_disorder SPECULATIVE 0.0995 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. drostanolone chronic_kidney_failure SPECULATIVE 0.0995 0.1 dimetacrine Speculative: Review drostanolone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. enalapril sclerosing_cholangitis SPECULATIVE 0.0995 0.1 doxorubicin Speculative: Review enalapril off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. alitretinoin conduct_disorder SPECULATIVE 0.0995 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. alitretinoin panic_disorder SPECULATIVE 0.0995 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. alitretinoin schizophrenia SPECULATIVE 0.0995 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. desogestrel amyotrophic_lateral_sclerosis SPECULATIVE 0.0995 0.09090909090909091 raloxifene Speculative: Review desogestrel off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. alprazolam mediastinal_cancer SPECULATIVE 0.0995 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. lenalidomide liver_cancer SPECULATIVE 0.0995 0.07692307692307693 l-dopa Speculative: Review lenalidomide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. ethylmorphine kidney_cancer SPECULATIVE 0.0995 0.07142857142857142 oxybuprocaine Speculative: Review ethylmorphine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. lenalidomide primary_biliary_cirrhosis SPECULATIVE 0.0995 0.0625 droxidopa Speculative: Review lenalidomide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. danazol gilles_de_la_tourette_syndrome SPECULATIVE 0.0995 0.058823529411764705 clotrimazole Speculative: Review danazol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pirbuterol chronic_kidney_failure SPECULATIVE 0.0995 0.058823529411764705 salsalate Speculative: Review pirbuterol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. alverine dilated_cardiomyopathy SPECULATIVE 0.0995 0.05 medrysone Speculative: Review alverine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. agomelatine lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review agomelatine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clonazepam lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review clonazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clotiazepam lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review clotiazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. dobutamine lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review dobutamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. linaclotide amyotrophic_lateral_sclerosis SPECULATIVE 0.0995 0.0 cinolazepam Speculative: Review linaclotide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. linaclotide nicotine_dependence SPECULATIVE 0.0995 0.0 cinolazepam Speculative: Review linaclotide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. mephentermine lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review mephentermine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nelarabine atherosclerosis SPECULATIVE 0.0995 0.0 fenoprofen Speculative: Review nelarabine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. sulfanilamide lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review sulfanilamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tenofovir atherosclerosis SPECULATIVE 0.0995 0.0 fenoprofen Speculative: Review tenofovir off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. theophylline glaucoma SPECULATIVE 0.0995 0.0 pirbuterol Speculative: Review theophylline off-target effects vs glaucoma mechanism. Phenotypic screen recommended. zolpidem lymphatic_system_cancer SPECULATIVE 0.0995 0.0 vinblastine Speculative: Review zolpidem off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tamoxifen meningioma GAP_HIGH 0.0994 0.25 diphenylpyraline High-priority: Binding assay tamoxifen→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.25) oxaprozin salivary_gland_cancer GAP_HIGH 0.0994 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) etoricoxib alzheimers_disease GAP_HIGH 0.0994 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in alzheimers_disease cell model. Expected: similar to nateglinide (Jaccard=0.22) procainamide schizophrenia GAP_HIGH 0.0994 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in schizophrenia cell model. Expected: similar to gefitinib (Jaccard=0.21) l-serine ocular_cancer GAP_HIGH 0.0994 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in ocular_cancer cell model. Expected: similar to l-histidine (Jaccard=0.19) buclizine gout GAP_HIGH 0.0994 0.175 modafinil High-priority: Binding assay buclizine→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.17) clonidine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0994 0.16666666666666666 tiaprofenic_acid High-priority: Binding assay clonidine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to tiaprofenic_acid (Jaccard=0.17) l-histidine obesity GAP_HIGH 0.0994 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in obesity cell model. Expected: similar to l-tyrosine (Jaccard=0.17) levonordefrin azoospermia SPECULATIVE 0.0994 0.14285714285714285 ritodrine Speculative: Review levonordefrin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. teniposide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0994 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. ethynodiol amyotrophic_lateral_sclerosis SPECULATIVE 0.0994 0.13043478260869565 fludrocortisone Speculative: Review ethynodiol off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. phenoxybenzamine alopecia_areata SPECULATIVE 0.0994 0.1 levorphanol Speculative: Review phenoxybenzamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. podofilox malaria SPECULATIVE 0.0994 0.09090909090909091 caffeine Speculative: Review podofilox off-target effects vs malaria mechanism. Phenotypic screen recommended. sulfadiazine focal_segmental_glomerulosclerosis SPECULATIVE 0.0994 0.09090909090909091 mefenamic_acid Speculative: Review sulfadiazine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. zidovudine mediastinal_cancer SPECULATIVE 0.0994 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. flurazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0994 0.08695652173913043 phenylbutazone Speculative: Review flurazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. ketorolac larynx_cancer SPECULATIVE 0.0994 0.08333333333333333 procarbazine Speculative: Review ketorolac off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. lidocaine head_and_neck_cancer SPECULATIVE 0.0994 0.08333333333333333 topotecan Speculative: Review lidocaine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. lidocaine malignant_glioma SPECULATIVE 0.0994 0.08333333333333333 topotecan Speculative: Review lidocaine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alprazolam thymus_cancer SPECULATIVE 0.0994 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. lenalidomide nicotine_dependence SPECULATIVE 0.0994 0.07692307692307693 phenylpropanolamine Speculative: Review lenalidomide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. dipivefrin mediastinal_cancer SPECULATIVE 0.0994 0.07142857142857142 ifenprodil Speculative: Review dipivefrin off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. ethylmorphine nephrolithiasis SPECULATIVE 0.0994 0.07142857142857142 oxybuprocaine Speculative: Review ethylmorphine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. practolol kidney_cancer SPECULATIVE 0.0994 0.06666666666666667 sulfamethizole Speculative: Review practolol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. lenalidomide gout SPECULATIVE 0.0994 0.0625 droxidopa Speculative: Review lenalidomide off-target effects vs gout mechanism. Phenotypic screen recommended. ceruletide metabolic_syndrome_x SPECULATIVE 0.0994 0.05555555555555555 testosterone_propionate Speculative: Review ceruletide off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. clonazepam refractive_error SPECULATIVE 0.0994 0.05 metaraminol Speculative: Review clonazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. propafenone dilated_cardiomyopathy SPECULATIVE 0.0994 0.047619047619047616 trandolapril Speculative: Review propafenone off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. benzphetamine leprosy SPECULATIVE 0.0994 0.0 sulfapyridine Speculative: Review benzphetamine off-target effects vs leprosy mechanism. Phenotypic screen recommended. ethylmorphine dilated_cardiomyopathy SPECULATIVE 0.0994 0.0 hydrocortisone Speculative: Review ethylmorphine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. lidocaine dilated_cardiomyopathy SPECULATIVE 0.0994 0.0 hydrocortisone Speculative: Review lidocaine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. linaclotide urinary_bladder_cancer SPECULATIVE 0.0994 0.0 hydrocortisone Speculative: Review linaclotide off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. mepyramine alcohol_dependence SPECULATIVE 0.0994 0.0 midazolam Speculative: Review mepyramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. etoricoxib nicotine_dependence GAP_HIGH 0.0993 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in nicotine_dependence cell model. Expected: similar to nateglinide (Jaccard=0.22) metoclopramide schizophrenia GAP_HIGH 0.0993 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in schizophrenia cell model. Expected: similar to gefitinib (Jaccard=0.22) procainamide breast_cancer GAP_HIGH 0.0993 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in breast_cancer cell model. Expected: similar to gefitinib (Jaccard=0.21) procainamide colon_cancer GAP_HIGH 0.0993 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in colon_cancer cell model. Expected: similar to gefitinib (Jaccard=0.21) buclizine ankylosing_spondylitis GAP_HIGH 0.0993 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) etoricoxib focal_segmental_glomerulosclerosis GAP_HIGH 0.0993 0.17391304347826086 tamsulosin High-priority: Binding assay etoricoxib→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to tamsulosin (Jaccard=0.17) midazolam sarcoma GAP_HIGH 0.0993 0.16666666666666666 practolol High-priority: Binding assay midazolam→?; validate in sarcoma cell model. Expected: similar to practolol (Jaccard=0.17) drostanolone parkinsons_disease SPECULATIVE 0.0993 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. procaine head_and_neck_cancer SPECULATIVE 0.0993 0.125 fludrocortisone Speculative: Review procaine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ramipril meningioma SPECULATIVE 0.0993 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs meningioma mechanism. Phenotypic screen recommended. dextroamphetamine esophageal_cancer SPECULATIVE 0.0993 0.1111111111111111 melphalan Speculative: Review dextroamphetamine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methyltestosterone creutzfeldt-jakob_disease SPECULATIVE 0.0993 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. alitretinoin bipolar_disorder SPECULATIVE 0.0993 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. alitretinoin endogenous_depression SPECULATIVE 0.0993 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. levonorgestrel narcolepsy SPECULATIVE 0.0993 0.09090909090909091 l-tryptophan Speculative: Review levonorgestrel off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. zidovudine gout SPECULATIVE 0.0993 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs gout mechanism. Phenotypic screen recommended. zidovudine thymus_cancer SPECULATIVE 0.0993 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. salbutamol mediastinal_cancer SPECULATIVE 0.0993 0.08333333333333333 mesalazine Speculative: Review salbutamol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide refractive_error SPECULATIVE 0.0993 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. hydromorphone malignant_mesothelioma SPECULATIVE 0.0993 0.07692307692307693 diphemanil_methylsulfate Speculative: Review hydromorphone off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. imatinib epilepsy_syndrome SPECULATIVE 0.0993 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. atropine dilated_cardiomyopathy SPECULATIVE 0.0993 0.07142857142857142 rimexolone Speculative: Review atropine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. dipivefrin thymus_cancer SPECULATIVE 0.0993 0.07142857142857142 ifenprodil Speculative: Review dipivefrin off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. enalapril celiac_disease SPECULATIVE 0.0993 0.07142857142857142 fentanyl Speculative: Review enalapril off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. etidronic_acid hepatitis_b SPECULATIVE 0.0993 0.06666666666666667 nateglinide Speculative: Review etidronic_acid off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vinblastine dilated_cardiomyopathy SPECULATIVE 0.0993 0.06666666666666667 rimexolone Speculative: Review vinblastine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. procarbazine alcohol_dependence SPECULATIVE 0.0993 0.05555555555555555 levorphanol Speculative: Review procarbazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tolazoline type_1_diabetes_mellitus SPECULATIVE 0.0993 0.05263157894736842 methyldopa Speculative: Review tolazoline off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cinchocaine brain_cancer SPECULATIVE 0.0993 0.03333333333333333 levorphanol Speculative: Review cinchocaine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. imatinib type_1_diabetes_mellitus SPECULATIVE 0.0993 0.02702702702702703 gliclazide Speculative: Review imatinib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. antipyrine brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review antipyrine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. antipyrine intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review antipyrine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dyphylline brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review dyphylline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dyphylline intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review dyphylline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fenbufen brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fenbufen intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. ketazolam brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ketazolam intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. methsuximide brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review methsuximide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methsuximide intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review methsuximide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. prazepam intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. theophylline brain_cancer SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. theophylline intracranial_aneurysm SPECULATIVE 0.0993 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chlorpromazine melanoma GAP_HIGH 0.0992 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.25) diphenhydramine type_1_diabetes_mellitus GAP_HIGH 0.0992 0.23076923076923078 benzatropine High-priority: Binding assay diphenhydramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.23) metoclopramide breast_cancer GAP_HIGH 0.0992 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in breast_cancer cell model. Expected: similar to gefitinib (Jaccard=0.22) metoclopramide colon_cancer GAP_HIGH 0.0992 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in colon_cancer cell model. Expected: similar to gefitinib (Jaccard=0.22) buclizine thyroid_cancer GAP_HIGH 0.0992 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in thyroid_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) bromodiphenhydramine salivary_gland_cancer GAP_HIGH 0.0992 0.16666666666666666 methadone High-priority: Binding assay bromodiphenhydramine→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.17) floctafenine vaginal_cancer GAP_HIGH 0.0992 0.15384615384615385 fluorometholone High-priority: Binding assay floctafenine→?; validate in vaginal_cancer cell model. Expected: similar to fluorometholone (Jaccard=0.15) teniposide panic_disorder SPECULATIVE 0.0992 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. drostanolone amyotrophic_lateral_sclerosis SPECULATIVE 0.0992 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. drostanolone autistic_disorder SPECULATIVE 0.0992 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. testosterone alzheimers_disease SPECULATIVE 0.0992 0.125 loperamide Speculative: Review testosterone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. testosterone parkinsons_disease SPECULATIVE 0.0992 0.125 loperamide Speculative: Review testosterone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. trandolapril germ_cell_cancer SPECULATIVE 0.0992 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. sulfamethizole asthma SPECULATIVE 0.0992 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs asthma mechanism. Phenotypic screen recommended. bepotastine primary_biliary_cirrhosis SPECULATIVE 0.0992 0.1 cyclopentolate Speculative: Review bepotastine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. arbutamine focal_segmental_glomerulosclerosis SPECULATIVE 0.0992 0.09090909090909091 metolazone Speculative: Review arbutamine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. lidocaine refractive_error SPECULATIVE 0.0992 0.08333333333333333 metaraminol Speculative: Review lidocaine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. salbutamol thymus_cancer SPECULATIVE 0.0992 0.08333333333333333 mesalazine Speculative: Review salbutamol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. oxazepam larynx_cancer SPECULATIVE 0.0992 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pirbuterol penile_cancer SPECULATIVE 0.0992 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. practolol alopecia_areata SPECULATIVE 0.0992 0.05263157894736842 levorphanol Speculative: Review practolol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cinchocaine germ_cell_cancer SPECULATIVE 0.0992 0.047619047619047616 topotecan Speculative: Review cinchocaine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. lenalidomide membranous_glomerulonephritis SPECULATIVE 0.0992 0.047619047619047616 vidarabine Speculative: Review lenalidomide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. alfacalcidol celiac_disease SPECULATIVE 0.0992 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. bethanidine gestational_diabetes SPECULATIVE 0.0992 0.04 tolbutamide Speculative: Review bethanidine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. amitriptyline leprosy SPECULATIVE 0.0992 0.021739130434782608 phensuximide Speculative: Review amitriptyline off-target effects vs leprosy mechanism. Phenotypic screen recommended. methdilazine thyroid_cancer GAP_HIGH 0.0991 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) oxaprozin ocular_cancer GAP_HIGH 0.0991 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.23) bromfenac hematologic_cancer GAP_HIGH 0.0991 0.2222222222222222 salicylic_acid High-priority: Binding assay bromfenac→?; validate in hematologic_cancer cell model. Expected: similar to salicylic_acid (Jaccard=0.22) ethopropazine esophageal_cancer GAP_HIGH 0.0991 0.2222222222222222 tamoxifen High-priority: Binding assay ethopropazine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) trifluoperazine celiac_disease GAP_HIGH 0.0991 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) procainamide ulcerative_colitis GAP_HIGH 0.0991 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in ulcerative_colitis cell model. Expected: similar to gefitinib (Jaccard=0.21) sunitinib autistic_disorder GAP_HIGH 0.0991 0.17647058823529413 l-arginine High-priority: Binding assay sunitinib→?; validate in autistic_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) bethanidine prostate_cancer GAP_HIGH 0.0991 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) docetaxel ankylosing_spondylitis GAP_HIGH 0.0991 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in ankylosing_spondylitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) temazepam larynx_cancer SPECULATIVE 0.0991 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. teniposide asthma SPECULATIVE 0.0991 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs asthma mechanism. Phenotypic screen recommended. teniposide conduct_disorder SPECULATIVE 0.0991 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. teniposide schizophrenia SPECULATIVE 0.0991 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. methylprednisolone glaucoma SPECULATIVE 0.0991 0.125 succinylcholine Speculative: Review methylprednisolone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. testosterone autistic_disorder SPECULATIVE 0.0991 0.125 loperamide Speculative: Review testosterone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. testosterone nicotine_dependence SPECULATIVE 0.0991 0.125 loperamide Speculative: Review testosterone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. antazoline glaucoma SPECULATIVE 0.0991 0.1111111111111111 decamethonium Speculative: Review antazoline off-target effects vs glaucoma mechanism. Phenotypic screen recommended. floctafenine refractive_error SPECULATIVE 0.0991 0.1111111111111111 succinylcholine Speculative: Review floctafenine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. sulfamethizole allergic_rhinitis SPECULATIVE 0.0991 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. sulfamethizole atopic_dermatitis SPECULATIVE 0.0991 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. sulfamethizole breast_cancer SPECULATIVE 0.0991 0.1111111111111111 meclizine Speculative: Review sulfamethizole off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. crizotinib kidney_cancer SPECULATIVE 0.0991 0.10526315789473684 gliclazide Speculative: Review crizotinib off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. enalapril pharynx_cancer SPECULATIVE 0.0991 0.1 doxorubicin Speculative: Review enalapril off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. indapamide meningioma SPECULATIVE 0.0991 0.1 procarbazine Speculative: Review indapamide off-target effects vs meningioma mechanism. Phenotypic screen recommended. lapatinib head_and_neck_cancer SPECULATIVE 0.0991 0.1 dexamethasone Speculative: Review lapatinib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aspartame penile_cancer SPECULATIVE 0.0991 0.09523809523809523 fentanyl Speculative: Review aspartame off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. oxazepam type_1_diabetes_mellitus SPECULATIVE 0.0991 0.09090909090909091 atropine Speculative: Review oxazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. alitretinoin chronic_obstructive_pulmonary_disease SPECULATIVE 0.0991 0.08333333333333333 dopamine Speculative: Review alitretinoin off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. pseudoephedrine gestational_diabetes SPECULATIVE 0.0991 0.07894736842105263 bezafibrate Speculative: Review pseudoephedrine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. calcidiol chronic_obstructive_pulmonary_disease SPECULATIVE 0.0991 0.06666666666666667 anileridine Speculative: Review calcidiol off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. isoetarine membranous_glomerulonephritis SPECULATIVE 0.0991 0.043478260869565216 tamsulosin Speculative: Review isoetarine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. alprazolam alopecia_areata SPECULATIVE 0.0991 0.041666666666666664 levorphanol Speculative: Review alprazolam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. imatinib refractive_error SPECULATIVE 0.0991 0.03571428571428571 dinoprost_tromethamine Speculative: Review imatinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. estradiol_valeratedienogest gestational_diabetes SPECULATIVE 0.0991 0.03333333333333333 bezafibrate Speculative: Review estradiol_valeratedienogest off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. hydromorphone atherosclerosis SPECULATIVE 0.0991 0.03333333333333333 flurbiprofen Speculative: Review hydromorphone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. desogestrel lymphatic_system_cancer SPECULATIVE 0.0991 0.02564102564102564 adenosine_triphosphate Speculative: Review desogestrel off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. afatinib bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review afatinib off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. chlorthalidone bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review chlorthalidone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. diethylpropion bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review diethylpropion off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ephedrine larynx_cancer SPECULATIVE 0.0991 0.0 vinblastine Speculative: Review ephedrine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. l-phenylalanine bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review l-phenylalanine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-phenylalanine gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review l-phenylalanine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. orciprenaline bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review orciprenaline off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. orciprenaline gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review orciprenaline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pemetrexed gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review pemetrexed off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. phenformin bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review phenformin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. phenformin gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review phenformin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. telbivudine gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review telbivudine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. terbutaline bone_cancer SPECULATIVE 0.0991 0.0 ibandronate Speculative: Review terbutaline off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. terbutaline gestational_diabetes SPECULATIVE 0.0991 0.0 tolazamide Speculative: Review terbutaline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. travoprost larynx_cancer SPECULATIVE 0.0991 0.0 vinblastine Speculative: Review travoprost off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clomipramine malignant_mesothelioma GAP_HIGH 0.099 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in malignant_mesothelioma cell model. Expected: similar to phenytoin (Jaccard=0.25) metoclopramide ulcerative_colitis GAP_HIGH 0.099 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in ulcerative_colitis cell model. Expected: similar to gefitinib (Jaccard=0.22) procainamide ovarian_cancer GAP_HIGH 0.099 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in ovarian_cancer cell model. Expected: similar to gefitinib (Jaccard=0.21) procaine salivary_gland_cancer GAP_HIGH 0.099 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) chloroprocaine uterine_cancer GAP_HIGH 0.099 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) masoprocol kidney_cancer SPECULATIVE 0.099 0.15 etoricoxib Speculative: Review masoprocol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. masoprocol nephrolithiasis SPECULATIVE 0.099 0.15 etoricoxib Speculative: Review masoprocol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. crizotinib autistic_disorder SPECULATIVE 0.099 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. crizotinib nicotine_dependence SPECULATIVE 0.099 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. teniposide allergic_rhinitis SPECULATIVE 0.099 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. teniposide bipolar_disorder SPECULATIVE 0.099 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. propafenone celiac_disease SPECULATIVE 0.099 0.13793103448275862 fentanyl Speculative: Review propafenone off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. diclofenac urinary_bladder_cancer SPECULATIVE 0.099 0.13333333333333333 thalidomide Speculative: Review diclofenac off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. drostanolone attention_deficit_hyperactivity_disorder SPECULATIVE 0.099 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. procaine glaucoma SPECULATIVE 0.099 0.11764705882352941 pseudoephedrine Speculative: Review procaine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ethynodiol refractive_error SPECULATIVE 0.099 0.1 dinoprost_tromethamine Speculative: Review ethynodiol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. alitretinoin epilepsy_syndrome SPECULATIVE 0.099 0.08333333333333333 triamterene Speculative: Review alitretinoin off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pralatrexate chronic_obstructive_pulmonary_disease SPECULATIVE 0.099 0.08333333333333333 epinephrine Speculative: Review pralatrexate off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. pentostatin coronary_artery_disease SPECULATIVE 0.099 0.0625 chloroprocaine Speculative: Review pentostatin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. lenalidomide prostate_cancer SPECULATIVE 0.099 0.058823529411764705 sorafenib Speculative: Review lenalidomide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. levonorgestrel gilles_de_la_tourette_syndrome SPECULATIVE 0.099 0.058823529411764705 clotrimazole Speculative: Review levonorgestrel off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ceruletide obesity SPECULATIVE 0.099 0.05555555555555555 testosterone_propionate Speculative: Review ceruletide off-target effects vs obesity mechanism. Phenotypic screen recommended. l-glutamine type_1_diabetes_mellitus SPECULATIVE 0.099 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. clonazepam esophageal_cancer SPECULATIVE 0.099 0.03225806451612903 toremifene Speculative: Review clonazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. imatinib focal_segmental_glomerulosclerosis SPECULATIVE 0.099 0.023255813953488372 tamsulosin Speculative: Review imatinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. modafinil primary_biliary_cirrhosis GAP_HIGH 0.0989 0.28 benzatropine High-priority: Binding assay modafinil→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.28) alimemazine pharynx_cancer GAP_HIGH 0.0989 0.23076923076923078 diphenylpyraline High-priority: Binding assay alimemazine→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) nateglinide penile_cancer GAP_HIGH 0.0989 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in penile_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) metoclopramide ovarian_cancer GAP_HIGH 0.0989 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in ovarian_cancer cell model. Expected: similar to gefitinib (Jaccard=0.22) megestrol_acetate amyotrophic_lateral_sclerosis GAP_HIGH 0.0989 0.19047619047619047 fludrocortisone High-priority: Binding assay megestrol_acetate→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.19) sunitinib attention_deficit_hyperactivity_disorder GAP_HIGH 0.0989 0.17647058823529413 l-arginine High-priority: Binding assay sunitinib→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to l-arginine (Jaccard=0.18) bromodiphenhydramine ocular_cancer GAP_HIGH 0.0989 0.16666666666666666 methadone High-priority: Binding assay bromodiphenhydramine→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.17) bevantolol sclerosing_cholangitis GAP_HIGH 0.0989 0.16216216216216217 diphenylpyraline High-priority: Binding assay bevantolol→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) bethanidine mediastinal_cancer GAP_HIGH 0.0989 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) bethanidine primary_biliary_cirrhosis GAP_HIGH 0.0989 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to etoricoxib (Jaccard=0.16) fosphenytoin meningioma GAP_HIGH 0.0989 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.16) docetaxel epilepsy_syndrome GAP_HIGH 0.0989 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) teniposide endogenous_depression SPECULATIVE 0.0989 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. adenosine_triphosphate ulcerative_colitis SPECULATIVE 0.0989 0.1388888888888889 entecavir Speculative: Review adenosine_triphosphate off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. testosterone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0989 0.125 loperamide Speculative: Review testosterone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. lisinopril germ_cell_cancer SPECULATIVE 0.0989 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. pazopanib alopecia_areata SPECULATIVE 0.0989 0.11764705882352941 dexamethasone Speculative: Review pazopanib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. bezafibrate acquired_immunodeficiency_syndrome SPECULATIVE 0.0989 0.11538461538461539 lisinopril Speculative: Review bezafibrate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aspartame melanoma SPECULATIVE 0.0989 0.10526315789473684 trimipramine Speculative: Review aspartame off-target effects vs melanoma mechanism. Phenotypic screen recommended. diethylpropion germ_cell_cancer SPECULATIVE 0.0989 0.1 melphalan Speculative: Review diethylpropion off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. estazolam melanoma SPECULATIVE 0.0989 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs melanoma mechanism. Phenotypic screen recommended. butenafine atherosclerosis SPECULATIVE 0.0989 0.09090909090909091 floctafenine Speculative: Review butenafine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. furosemide pancreatitis SPECULATIVE 0.0989 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. voacamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0989 0.08333333333333333 alvimopan Speculative: Review voacamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. naproxen malaria SPECULATIVE 0.0989 0.08 warfarin Speculative: Review naproxen off-target effects vs malaria mechanism. Phenotypic screen recommended. calcidiol pancreatitis SPECULATIVE 0.0989 0.06666666666666667 anileridine Speculative: Review calcidiol off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. nitrazepam atherosclerosis SPECULATIVE 0.0989 0.06666666666666667 flurbiprofen Speculative: Review nitrazepam off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pirbuterol malignant_mesothelioma SPECULATIVE 0.0989 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. calcipotriol crohns_disease SPECULATIVE 0.0989 0.0625 anileridine Speculative: Review calcipotriol off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. etidronic_acid atherosclerosis SPECULATIVE 0.0989 0.058823529411764705 phenelzine Speculative: Review etidronic_acid off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. salicylic_acid dilated_cardiomyopathy SPECULATIVE 0.0989 0.058823529411764705 medrysone Speculative: Review salicylic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pirbuterol focal_segmental_glomerulosclerosis SPECULATIVE 0.0989 0.047619047619047616 tamsulosin Speculative: Review pirbuterol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. clonazepam head_and_neck_cancer SPECULATIVE 0.0989 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clonazepam malignant_glioma SPECULATIVE 0.0989 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. melphalan leprosy SPECULATIVE 0.0989 0.03333333333333333 sulfapyridine Speculative: Review melphalan off-target effects vs leprosy mechanism. Phenotypic screen recommended. acetic_acid duodenum_cancer SPECULATIVE 0.0989 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. acetic_acid gallbladder_cancer SPECULATIVE 0.0989 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. oxaprozin peripheral_nervous_system_neoplasm GAP_HIGH 0.0988 0.22727272727272727 phenylbutazone High-priority: Binding assay oxaprozin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.23) bethanidine sclerosing_cholangitis GAP_HIGH 0.0988 0.16666666666666666 phenacemide High-priority: Binding assay bethanidine→?; validate in sclerosing_cholangitis cell model. Expected: similar to phenacemide (Jaccard=0.17) l-histidine type_2_diabetes_mellitus GAP_HIGH 0.0988 0.16666666666666666 l-tyrosine High-priority: Binding assay l-histidine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to l-tyrosine (Jaccard=0.17) procaine ocular_cancer GAP_HIGH 0.0988 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) procaine rectum_cancer GAP_HIGH 0.0988 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in rectum_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) bethanidine gout GAP_HIGH 0.0988 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.16) bethanidine thymus_cancer GAP_HIGH 0.0988 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) phentermine membranous_glomerulonephritis GAP_HIGH 0.0988 0.15384615384615385 mitiglinide High-priority: Binding assay phentermine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.15) procaine duodenum_cancer GAP_HIGH 0.0988 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in duodenum_cancer cell model. Expected: similar to drospirenone (Jaccard=0.15) procaine gallbladder_cancer GAP_HIGH 0.0988 0.15384615384615385 drospirenone High-priority: Binding assay procaine→?; validate in gallbladder_cancer cell model. Expected: similar to drospirenone (Jaccard=0.15) crizotinib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0988 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. teniposide multiple_sclerosis SPECULATIVE 0.0988 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. sunitinib kidney_cancer SPECULATIVE 0.0988 0.13636363636363635 gliclazide Speculative: Review sunitinib off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. pazopanib head_and_neck_cancer SPECULATIVE 0.0988 0.13333333333333333 methotrexate Speculative: Review pazopanib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pazopanib malignant_glioma SPECULATIVE 0.0988 0.13333333333333333 methotrexate Speculative: Review pazopanib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. diphemanil_methylsulfate atherosclerosis SPECULATIVE 0.0988 0.13043478260869565 naproxen Speculative: Review diphemanil_methylsulfate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. floctafenine primary_biliary_cirrhosis SPECULATIVE 0.0988 0.13043478260869565 fludrocortisone Speculative: Review floctafenine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. docetaxel malignant_glioma SPECULATIVE 0.0988 0.125 vinblastine Speculative: Review docetaxel off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. menadione esophageal_cancer SPECULATIVE 0.0988 0.125 fluorouracil Speculative: Review menadione off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. mitiglinide esophageal_cancer SPECULATIVE 0.0988 0.125 melphalan Speculative: Review mitiglinide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. vindesine creutzfeldt-jakob_disease SPECULATIVE 0.0988 0.125 epinastine Speculative: Review vindesine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acenocoumarol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0988 0.1 desloratadine Speculative: Review acenocoumarol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. estazolam primary_biliary_cirrhosis SPECULATIVE 0.0988 0.09090909090909091 atropine Speculative: Review estazolam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. etidronic_acid duodenum_cancer SPECULATIVE 0.0988 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. etidronic_acid gallbladder_cancer SPECULATIVE 0.0988 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. l-phenylalanine membranous_glomerulonephritis SPECULATIVE 0.0988 0.09090909090909091 mitiglinide Speculative: Review l-phenylalanine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. epirubicin malaria SPECULATIVE 0.0988 0.08333333333333333 caffeine Speculative: Review epirubicin off-target effects vs malaria mechanism. Phenotypic screen recommended. estradiol alcohol_dependence SPECULATIVE 0.0988 0.058823529411764705 naloxone Speculative: Review estradiol off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. lenalidomide mediastinal_cancer SPECULATIVE 0.0988 0.058823529411764705 sorafenib Speculative: Review lenalidomide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. alprazolam celiac_disease SPECULATIVE 0.0988 0.05555555555555555 chlorcyclizine Speculative: Review alprazolam off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. alprazolam type_1_diabetes_mellitus SPECULATIVE 0.0988 0.047619047619047616 glisoxepide Speculative: Review alprazolam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. testosterone atherosclerosis SPECULATIVE 0.0988 0.038461538461538464 acetylsalicylic_acid Speculative: Review testosterone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. medroxyprogesterone_acetate lymphatic_system_cancer SPECULATIVE 0.0988 0.02857142857142857 adenosine_triphosphate Speculative: Review medroxyprogesterone_acetate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. antipyrine primary_biliary_cirrhosis SPECULATIVE 0.0988 0.02702702702702703 bezafibrate Speculative: Review antipyrine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. atomoxetine leprosy SPECULATIVE 0.0988 0.02127659574468085 phensuximide Speculative: Review atomoxetine off-target effects vs leprosy mechanism. Phenotypic screen recommended. alitretinoin acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review alitretinoin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alprazolam acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review alprazolam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. diclofenamide acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review diclofenamide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. dobutamine malaria SPECULATIVE 0.0988 0.0 ethotoin Speculative: Review dobutamine off-target effects vs malaria mechanism. Phenotypic screen recommended. droperidol acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review droperidol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. erlotinib leprosy SPECULATIVE 0.0988 0.0 sulfapyridine Speculative: Review erlotinib off-target effects vs leprosy mechanism. Phenotypic screen recommended. etonogestrel acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review etonogestrel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. felypressin esophageal_cancer SPECULATIVE 0.0988 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. fluspirilene acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review fluspirilene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. furosemide acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review furosemide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. halazepam esophageal_cancer SPECULATIVE 0.0988 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. isoetarine malaria SPECULATIVE 0.0988 0.0 ethotoin Speculative: Review isoetarine off-target effects vs malaria mechanism. Phenotypic screen recommended. lenalidomide malaria SPECULATIVE 0.0988 0.0 ethotoin Speculative: Review lenalidomide off-target effects vs malaria mechanism. Phenotypic screen recommended. mepenzolate leprosy SPECULATIVE 0.0988 0.0 sulfapyridine Speculative: Review mepenzolate off-target effects vs leprosy mechanism. Phenotypic screen recommended. nandrolone_phenpropionate acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review nandrolone_phenpropionate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. nelarabine malaria SPECULATIVE 0.0988 0.0 ethotoin Speculative: Review nelarabine off-target effects vs malaria mechanism. Phenotypic screen recommended. norelgestromin acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review norelgestromin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. oxyphenonium esophageal_cancer SPECULATIVE 0.0988 0.0 hydrocortisone Speculative: Review oxyphenonium off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. pasireotide esophageal_cancer SPECULATIVE 0.0988 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. podofilox leprosy SPECULATIVE 0.0988 0.0 sulfapyridine Speculative: Review podofilox off-target effects vs leprosy mechanism. Phenotypic screen recommended. stanozolol acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review stanozolol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tenofovir malaria SPECULATIVE 0.0988 0.0 ethotoin Speculative: Review tenofovir off-target effects vs malaria mechanism. Phenotypic screen recommended. treprostinil esophageal_cancer SPECULATIVE 0.0988 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. tretinoin acquired_immunodeficiency_syndrome SPECULATIVE 0.0988 0.0 mitiglinide Speculative: Review tretinoin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tamoxifen idiopathic_pulmonary_fibrosis GAP_HIGH 0.0987 0.25 atomoxetine High-priority: Binding assay tamoxifen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.25) etoricoxib breast_cancer GAP_HIGH 0.0987 0.2222222222222222 nateglinide High-priority: Binding assay etoricoxib→?; validate in breast_cancer cell model. Expected: similar to nateglinide (Jaccard=0.22) nateglinide malignant_mesothelioma GAP_HIGH 0.0987 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in malignant_mesothelioma cell model. Expected: similar to etoricoxib (Jaccard=0.22) methyldopa germ_cell_cancer GAP_HIGH 0.0987 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.21) acetylsalicylic_acid gout GAP_HIGH 0.0987 0.19230769230769232 salsalate High-priority: Binding assay acetylsalicylic_acid→?; validate in gout cell model. Expected: similar to salsalate (Jaccard=0.19) buclizine metabolic_syndrome_x GAP_HIGH 0.0987 0.19230769230769232 papaverine High-priority: Binding assay buclizine→?; validate in metabolic_syndrome_x cell model. Expected: similar to papaverine (Jaccard=0.19) l-serine panic_disorder GAP_HIGH 0.0987 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in panic_disorder cell model. Expected: similar to l-histidine (Jaccard=0.19) l-serine schizophrenia GAP_HIGH 0.0987 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in schizophrenia cell model. Expected: similar to l-histidine (Jaccard=0.19) l-dopa germ_cell_cancer GAP_HIGH 0.0987 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in germ_cell_cancer cell model. Expected: similar to mesalazine (Jaccard=0.19) meclizine celiac_disease GAP_HIGH 0.0987 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) desipramine brain_cancer GAP_HIGH 0.0987 0.16666666666666666 histamine_phosphate High-priority: Binding assay desipramine→?; validate in brain_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) mitiglinide thyroid_cancer GAP_HIGH 0.0987 0.16666666666666666 probenecid High-priority: Binding assay mitiglinide→?; validate in thyroid_cancer cell model. Expected: similar to probenecid (Jaccard=0.17) paclitaxel atopic_dermatitis GAP_HIGH 0.0987 0.16666666666666666 medroxyprogesterone_acetate High-priority: Binding assay paclitaxel→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.17) aceprometazine pharynx_cancer GAP_HIGH 0.0987 0.15789473684210525 fentanyl High-priority: Binding assay aceprometazine→?; validate in pharynx_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) mefenamic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0987 0.14285714285714285 alvimopan Speculative: Review mefenamic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. teniposide migraine SPECULATIVE 0.0987 0.14285714285714285 acetazolamide Speculative: Review teniposide off-target effects vs migraine mechanism. Phenotypic screen recommended. drostanolone schizophrenia SPECULATIVE 0.0987 0.13333333333333333 loperamide Speculative: Review drostanolone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. pazopanib kidney_cancer SPECULATIVE 0.0987 0.13333333333333333 docetaxel Speculative: Review pazopanib off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cinolazepam vascular_cancer SPECULATIVE 0.0987 0.13043478260869565 chlorpromazine Speculative: Review cinolazepam off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. tripelennamine pharynx_cancer SPECULATIVE 0.0987 0.11538461538461539 methadone Speculative: Review tripelennamine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. dextroamphetamine type_1_diabetes_mellitus SPECULATIVE 0.0987 0.1111111111111111 cyclandelate Speculative: Review dextroamphetamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. danazol parkinsons_disease SPECULATIVE 0.0987 0.1 raloxifene Speculative: Review danazol off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. furosemide muscle_cancer SPECULATIVE 0.0987 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. oxazepam glaucoma SPECULATIVE 0.0987 0.09090909090909091 metaraminol Speculative: Review oxazepam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. alendronate malaria SPECULATIVE 0.0987 0.08333333333333333 sulfamethizole Speculative: Review alendronate off-target effects vs malaria mechanism. Phenotypic screen recommended. desipramine dilated_cardiomyopathy SPECULATIVE 0.0987 0.08333333333333333 trandolapril Speculative: Review desipramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. lenalidomide pancreatic_cancer SPECULATIVE 0.0987 0.07692307692307693 l-dopa Speculative: Review lenalidomide off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. imatinib alzheimers_disease SPECULATIVE 0.0987 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. diclofenac alopecia_areata SPECULATIVE 0.0987 0.07142857142857142 cyproterone_acetate Speculative: Review diclofenac off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trilostane refractive_error SPECULATIVE 0.0987 0.0625 l-dopa Speculative: Review trilostane off-target effects vs refractive_error mechanism. Phenotypic screen recommended. lenalidomide thymus_cancer SPECULATIVE 0.0987 0.058823529411764705 sorafenib Speculative: Review lenalidomide off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. l-tryptophan dilated_cardiomyopathy SPECULATIVE 0.0987 0.047619047619047616 progesterone Speculative: Review l-tryptophan off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clonazepam nephrolithiasis SPECULATIVE 0.0987 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ziprasidone hepatitis_b SPECULATIVE 0.0987 0.02857142857142857 adenosine_triphosphate Speculative: Review ziprasidone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phenytoin gout GAP_HIGH 0.0986 0.25 phenindione High-priority: Binding assay phenytoin→?; validate in gout cell model. Expected: similar to phenindione (Jaccard=0.25) acetylsalicylic_acid creutzfeldt-jakob_disease GAP_HIGH 0.0986 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salicylic_acid (Jaccard=0.20) l-serine atopic_dermatitis GAP_HIGH 0.0986 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in atopic_dermatitis cell model. Expected: similar to l-histidine (Jaccard=0.19) meclizine chronic_kidney_failure GAP_HIGH 0.0986 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in chronic_kidney_failure cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) tiaprofenic_acid type_1_diabetes_mellitus GAP_HIGH 0.0986 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to bromfenac (Jaccard=0.17) adenosine_monophosphate pancreatic_cancer GAP_HIGH 0.0986 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in pancreatic_cancer cell model. Expected: similar to entecavir (Jaccard=0.16) adenosine_monophosphate ulcerative_colitis GAP_HIGH 0.0986 0.15517241379310345 entecavir High-priority: Binding assay adenosine_monophosphate→?; validate in ulcerative_colitis cell model. Expected: similar to entecavir (Jaccard=0.16) liothyronine type_1_diabetes_mellitus GAP_HIGH 0.0986 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) warfarin acquired_immunodeficiency_syndrome SPECULATIVE 0.0986 0.14285714285714285 alvimopan Speculative: Review warfarin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenylpropanolamine malaria SPECULATIVE 0.0986 0.125 tranylcypromine Speculative: Review phenylpropanolamine off-target effects vs malaria mechanism. Phenotypic screen recommended. testosterone conduct_disorder SPECULATIVE 0.0986 0.125 loperamide Speculative: Review testosterone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. testosterone panic_disorder SPECULATIVE 0.0986 0.125 loperamide Speculative: Review testosterone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. testosterone schizophrenia SPECULATIVE 0.0986 0.125 loperamide Speculative: Review testosterone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. trandolapril penile_cancer SPECULATIVE 0.0986 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. trandolapril kidney_cancer SPECULATIVE 0.0986 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. enalapril pancreatitis SPECULATIVE 0.0986 0.1 doxorubicin Speculative: Review enalapril off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. levonorgestrel parkinsons_disease SPECULATIVE 0.0986 0.1 raloxifene Speculative: Review levonorgestrel off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. furosemide rectum_cancer SPECULATIVE 0.0986 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. furosemide creutzfeldt-jakob_disease SPECULATIVE 0.0986 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. chlorphenesin hematologic_cancer SPECULATIVE 0.0986 0.08333333333333333 fluticasone_propionate Speculative: Review chlorphenesin off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. trilostane narcolepsy SPECULATIVE 0.0986 0.08333333333333333 tamoxifen Speculative: Review trilostane off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. lenalidomide ulcerative_colitis SPECULATIVE 0.0986 0.07692307692307693 phenylpropanolamine Speculative: Review lenalidomide off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. s-adenosylmethionine esophageal_cancer SPECULATIVE 0.0986 0.07692307692307693 gemcitabine Speculative: Review s-adenosylmethionine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. imatinib autistic_disorder SPECULATIVE 0.0986 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. imatinib parkinsons_disease SPECULATIVE 0.0986 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. trandolapril lymphatic_system_cancer SPECULATIVE 0.0986 0.06896551724137931 glucosamine Speculative: Review trandolapril off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. alfacalcidol chronic_obstructive_pulmonary_disease SPECULATIVE 0.0986 0.06666666666666667 anileridine Speculative: Review alfacalcidol off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. arbutamine malaria SPECULATIVE 0.0986 0.0625 sulfamethizole Speculative: Review arbutamine off-target effects vs malaria mechanism. Phenotypic screen recommended. tolmetin focal_segmental_glomerulosclerosis SPECULATIVE 0.0986 0.058823529411764705 floctafenine Speculative: Review tolmetin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ethotoin alopecia_areata SPECULATIVE 0.0986 0.037037037037037035 fluticasone_propionate Speculative: Review ethotoin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. propafenone alcohol_dependence SPECULATIVE 0.0986 0.037037037037037035 ethylmorphine Speculative: Review propafenone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. acetic_acid creutzfeldt-jakob_disease SPECULATIVE 0.0986 0.0 loxapine Speculative: Review acetic_acid off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acetic_acid sclerosing_cholangitis SPECULATIVE 0.0986 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. sunitinib hypertension GAP_HIGH 0.0985 0.17647058823529413 l-arginine High-priority: Binding assay sunitinib→?; validate in hypertension cell model. Expected: similar to l-arginine (Jaccard=0.18) chloroprocaine vulva_cancer GAP_HIGH 0.0985 0.15625 modafinil High-priority: Binding assay chloroprocaine→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) methotrexate glaucoma SPECULATIVE 0.0985 0.14285714285714285 dinoprost_tromethamine Speculative: Review methotrexate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. buclizine focal_segmental_glomerulosclerosis SPECULATIVE 0.0985 0.1388888888888889 naftifine Speculative: Review buclizine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. flurandrenolide gilles_de_la_tourette_syndrome SPECULATIVE 0.0985 0.125 diphemanil_methylsulfate Speculative: Review flurandrenolide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diphenhydramine alcohol_dependence SPECULATIVE 0.0985 0.12121212121212122 levorphanol Speculative: Review diphenhydramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. floxuridine hypertension SPECULATIVE 0.0985 0.11764705882352941 trimethoprim Speculative: Review floxuridine off-target effects vs hypertension mechanism. Phenotypic screen recommended. vismodegib brain_cancer SPECULATIVE 0.0985 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vismodegib intracranial_aneurysm SPECULATIVE 0.0985 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chloroprocaine head_and_neck_cancer SPECULATIVE 0.0985 0.1111111111111111 fludrocortisone Speculative: Review chloroprocaine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. crizotinib membranous_glomerulonephritis SPECULATIVE 0.0985 0.1111111111111111 amsacrine Speculative: Review crizotinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lisinopril refractive_error SPECULATIVE 0.0985 0.10526315789473684 sotalol Speculative: Review lisinopril off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trandolapril refractive_error SPECULATIVE 0.0985 0.10526315789473684 sotalol Speculative: Review trandolapril off-target effects vs refractive_error mechanism. Phenotypic screen recommended. enalapril salivary_gland_cancer SPECULATIVE 0.0985 0.1 doxorubicin Speculative: Review enalapril off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. afatinib type_1_diabetes_mellitus SPECULATIVE 0.0985 0.09090909090909091 gliclazide Speculative: Review afatinib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. aspartame germ_cell_cancer SPECULATIVE 0.0985 0.09090909090909091 voacamine Speculative: Review aspartame off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. epirubicin hepatitis_b SPECULATIVE 0.0985 0.09090909090909091 abacavir Speculative: Review epirubicin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tripelennamine kidney_cancer SPECULATIVE 0.0985 0.08333333333333333 tolbutamide Speculative: Review tripelennamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. alprazolam melanoma SPECULATIVE 0.0985 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs melanoma mechanism. Phenotypic screen recommended. probenecid focal_segmental_glomerulosclerosis SPECULATIVE 0.0985 0.06666666666666667 moricizine Speculative: Review probenecid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. clonazepam penile_cancer SPECULATIVE 0.0985 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. vandetanib alcohol_dependence SPECULATIVE 0.0985 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. dipivefrin kidney_cancer SPECULATIVE 0.0985 0.05 quinacrine Speculative: Review dipivefrin off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phenelzine gestational_diabetes SPECULATIVE 0.0985 0.05 tolbutamide Speculative: Review phenelzine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. s-adenosylmethionine atherosclerosis SPECULATIVE 0.0985 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. allylestrenol lymphatic_system_cancer SPECULATIVE 0.0985 0.02702702702702703 adenosine_triphosphate Speculative: Review allylestrenol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. desipramine leprosy SPECULATIVE 0.0985 0.022727272727272728 phensuximide Speculative: Review desipramine off-target effects vs leprosy mechanism. Phenotypic screen recommended. doxepin leprosy SPECULATIVE 0.0985 0.021739130434782608 phensuximide Speculative: Review doxepin off-target effects vs leprosy mechanism. Phenotypic screen recommended. imatinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0985 0.02127659574468085 methadone Speculative: Review imatinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. phenytoin rectum_cancer GAP_HIGH 0.0984 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in rectum_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) carbinoxamine sarcoma GAP_HIGH 0.0984 0.22727272727272727 promazine High-priority: Binding assay carbinoxamine→?; validate in sarcoma cell model. Expected: similar to promazine (Jaccard=0.23) ethopropazine type_1_diabetes_mellitus GAP_HIGH 0.0984 0.2222222222222222 benzatropine High-priority: Binding assay ethopropazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.22) megestrol_acetate alzheimers_disease GAP_HIGH 0.0984 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) procaine peripheral_nervous_system_neoplasm GAP_HIGH 0.0984 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to modafinil (Jaccard=0.16) clodronate sclerosing_cholangitis SPECULATIVE 0.0984 0.14285714285714285 dapsone Speculative: Review clodronate off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. crizotinib conduct_disorder SPECULATIVE 0.0984 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. crizotinib hypertension SPECULATIVE 0.0984 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs hypertension mechanism. Phenotypic screen recommended. nitrazepam lung_cancer SPECULATIVE 0.0984 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. nitrazepam rectum_cancer SPECULATIVE 0.0984 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. dextroamphetamine malignant_mesothelioma SPECULATIVE 0.0984 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. testosterone bipolar_disorder SPECULATIVE 0.0984 0.125 loperamide Speculative: Review testosterone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. ramipril mediastinal_cancer SPECULATIVE 0.0984 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. ramipril primary_biliary_cirrhosis SPECULATIVE 0.0984 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. trandolapril malignant_mesothelioma SPECULATIVE 0.0984 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. lidocaine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0984 0.1 cyclandelate Speculative: Review lidocaine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. adenine glaucoma SPECULATIVE 0.0984 0.09090909090909091 methacholine Speculative: Review adenine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. furosemide liver_cancer SPECULATIVE 0.0984 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. pentostatin metabolic_syndrome_x SPECULATIVE 0.0984 0.07142857142857142 lidocaine Speculative: Review pentostatin off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. alfacalcidol pancreatitis SPECULATIVE 0.0984 0.06666666666666667 anileridine Speculative: Review alfacalcidol off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. bepotastine alopecia_areata SPECULATIVE 0.0984 0.06666666666666667 levorphanol Speculative: Review bepotastine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lenalidomide melanoma SPECULATIVE 0.0984 0.0625 droxidopa Speculative: Review lenalidomide off-target effects vs melanoma mechanism. Phenotypic screen recommended. alitretinoin azoospermia SPECULATIVE 0.0984 0.058823529411764705 methamphetamine Speculative: Review alitretinoin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. ziprasidone type_1_diabetes_mellitus SPECULATIVE 0.0984 0.043478260869565216 sulfapyridine Speculative: Review ziprasidone off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. levonorgestrel lymphatic_system_cancer SPECULATIVE 0.0984 0.02631578947368421 adenosine_triphosphate Speculative: Review levonorgestrel off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. acenocoumarol dilated_cardiomyopathy SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. amoxapine dilated_cardiomyopathy SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review amoxapine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. antipyrine head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review antipyrine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. antipyrine malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review antipyrine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dimetindene alcohol_dependence SPECULATIVE 0.0984 0.0 midazolam Speculative: Review dimetindene off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. dyphylline head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review dyphylline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dyphylline malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review dyphylline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fenbufen head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fenbufen malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ketazolam head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ketazolam malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methsuximide head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review methsuximide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methsuximide malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review methsuximide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pralatrexate dilated_cardiomyopathy SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review pralatrexate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. prazepam head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. prazepam malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. theophylline head_and_neck_cancer SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. theophylline malignant_glioma SPECULATIVE 0.0984 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlorpromazine thyroid_cancer GAP_HIGH 0.0983 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) alimemazine salivary_gland_cancer GAP_HIGH 0.0983 0.23076923076923078 diphenylpyraline High-priority: Binding assay alimemazine→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) l-serine multiple_sclerosis GAP_HIGH 0.0983 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in multiple_sclerosis cell model. Expected: similar to l-histidine (Jaccard=0.19) megestrol_acetate nicotine_dependence GAP_HIGH 0.0983 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) bethanidine ankylosing_spondylitis GAP_HIGH 0.0983 0.16666666666666666 phenacemide High-priority: Binding assay bethanidine→?; validate in ankylosing_spondylitis cell model. Expected: similar to phenacemide (Jaccard=0.17) docetaxel alzheimers_disease GAP_HIGH 0.0983 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) docetaxel parkinsons_disease GAP_HIGH 0.0983 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) crizotinib bipolar_disorder SPECULATIVE 0.0983 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. teniposide osteoarthritis SPECULATIVE 0.0983 0.14285714285714285 amsacrine Speculative: Review teniposide off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. indecainide larynx_cancer SPECULATIVE 0.0983 0.125 alendronate Speculative: Review indecainide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. paclitaxel brain_cancer SPECULATIVE 0.0983 0.125 cyproterone_acetate Speculative: Review paclitaxel off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. testosterone endogenous_depression SPECULATIVE 0.0983 0.125 loperamide Speculative: Review testosterone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. vindesine ankylosing_spondylitis SPECULATIVE 0.0983 0.125 epinastine Speculative: Review vindesine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. lisinopril penile_cancer SPECULATIVE 0.0983 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. ramipril thymus_cancer SPECULATIVE 0.0983 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. mestranol refractive_error SPECULATIVE 0.0983 0.1111111111111111 carboprost_tromethamine Speculative: Review mestranol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trandolapril celiac_disease SPECULATIVE 0.0983 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. arbutamine brain_cancer SPECULATIVE 0.0983 0.09090909090909091 clodronate Speculative: Review arbutamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. arbutamine intracranial_aneurysm SPECULATIVE 0.0983 0.09090909090909091 etidronic_acid Speculative: Review arbutamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. zidovudine duodenum_cancer SPECULATIVE 0.0983 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. zidovudine gallbladder_cancer SPECULATIVE 0.0983 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. zidovudine melanoma SPECULATIVE 0.0983 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs melanoma mechanism. Phenotypic screen recommended. indapamide kidney_cancer SPECULATIVE 0.0983 0.08333333333333333 tolazamide Speculative: Review indapamide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. methyltestosterone azoospermia SPECULATIVE 0.0983 0.08333333333333333 loperamide Speculative: Review methyltestosterone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. methyltestosterone chronic_kidney_failure SPECULATIVE 0.0983 0.07692307692307693 ergocalciferol Speculative: Review methyltestosterone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. probenecid chronic_kidney_failure SPECULATIVE 0.0983 0.07692307692307693 amitriptyline Speculative: Review probenecid off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. imatinib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0983 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. pirbuterol meningioma SPECULATIVE 0.0983 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs meningioma mechanism. Phenotypic screen recommended. clofarabine brain_cancer SPECULATIVE 0.0983 0.05263157894736842 methotrexate Speculative: Review clofarabine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. clofarabine intracranial_aneurysm SPECULATIVE 0.0983 0.05263157894736842 methotrexate Speculative: Review clofarabine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. estazolam alopecia_areata SPECULATIVE 0.0983 0.05 levorphanol Speculative: Review estazolam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ribavirin brain_cancer SPECULATIVE 0.0983 0.05 methotrexate Speculative: Review ribavirin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ribavirin intracranial_aneurysm SPECULATIVE 0.0983 0.05 methotrexate Speculative: Review ribavirin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. calcidiol azoospermia SPECULATIVE 0.0983 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. prednisolone gestational_diabetes SPECULATIVE 0.0983 0.041666666666666664 bezafibrate Speculative: Review prednisolone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tiaprofenic_acid leprosy SPECULATIVE 0.0983 0.03225806451612903 sulfapyridine Speculative: Review tiaprofenic_acid off-target effects vs leprosy mechanism. Phenotypic screen recommended. bromodiphenhydramine leprosy SPECULATIVE 0.0983 0.0 sulfapyridine Speculative: Review bromodiphenhydramine off-target effects vs leprosy mechanism. Phenotypic screen recommended. deferasirox leprosy SPECULATIVE 0.0983 0.0 sulfapyridine Speculative: Review deferasirox off-target effects vs leprosy mechanism. Phenotypic screen recommended. indomethacin focal_segmental_glomerulosclerosis SPECULATIVE 0.0983 0.0 methdilazine Speculative: Review indomethacin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. norepinephrine focal_segmental_glomerulosclerosis SPECULATIVE 0.0983 0.0 methdilazine Speculative: Review norepinephrine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. theophylline kidney_cancer SPECULATIVE 0.0983 0.0 oxybuprocaine Speculative: Review theophylline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. trifluridine focal_segmental_glomerulosclerosis SPECULATIVE 0.0983 0.0 methdilazine Speculative: Review trifluridine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. phenytoin liver_cancer GAP_HIGH 0.0982 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in liver_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) dexamethasone asthma GAP_HIGH 0.0982 0.2222222222222222 etonogestrel High-priority: Binding assay dexamethasone→?; validate in asthma cell model. Expected: similar to etonogestrel (Jaccard=0.22) bezafibrate azoospermia GAP_HIGH 0.0982 0.1935483870967742 naproxen High-priority: Binding assay bezafibrate→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.19) docetaxel autistic_disorder GAP_HIGH 0.0982 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in autistic_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) trimipramine acquired_immunodeficiency_syndrome GAP_HIGH 0.0982 0.15789473684210525 alvimopan High-priority: Binding assay trimipramine→?; validate in acquired_immunodeficiency_syndrome cell model. Expected: similar to alvimopan (Jaccard=0.16) benzatropine glaucoma SPECULATIVE 0.0982 0.14285714285714285 decamethonium Speculative: Review benzatropine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. crizotinib endogenous_depression SPECULATIVE 0.0982 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. nitrazepam liver_cancer SPECULATIVE 0.0982 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. floxuridine migraine SPECULATIVE 0.0982 0.11764705882352941 trimethoprim Speculative: Review floxuridine off-target effects vs migraine mechanism. Phenotypic screen recommended. enalapril ocular_cancer SPECULATIVE 0.0982 0.1 doxorubicin Speculative: Review enalapril off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. sulfaphenazole membranous_glomerulonephritis SPECULATIVE 0.0982 0.1 mefenamic_acid Speculative: Review sulfaphenazole off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. aspartame meningioma SPECULATIVE 0.0982 0.09523809523809523 fentanyl Speculative: Review aspartame off-target effects vs meningioma mechanism. Phenotypic screen recommended. alitretinoin creutzfeldt-jakob_disease SPECULATIVE 0.0982 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. tripelennamine intracranial_aneurysm SPECULATIVE 0.0982 0.07692307692307693 procarbazine Speculative: Review tripelennamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. crizotinib malaria SPECULATIVE 0.0982 0.0625 caffeine Speculative: Review crizotinib off-target effects vs malaria mechanism. Phenotypic screen recommended. vismodegib acquired_immunodeficiency_syndrome SPECULATIVE 0.0982 0.05555555555555555 lisinopril Speculative: Review vismodegib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. paricalcitol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0982 0.05263157894736842 droxidopa Speculative: Review paricalcitol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. adenosine coronary_artery_disease SPECULATIVE 0.0982 0.05 chloroprocaine Speculative: Review adenosine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. acenocoumarol lymphatic_system_cancer SPECULATIVE 0.0982 0.04 riboflavin Speculative: Review acenocoumarol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. azelastine gestational_diabetes SPECULATIVE 0.0982 0.02631578947368421 bezafibrate Speculative: Review azelastine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dienestrol malaria SPECULATIVE 0.0982 0.022727272727272728 phensuximide Speculative: Review dienestrol off-target effects vs malaria mechanism. Phenotypic screen recommended. alcaftadine bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review alcaftadine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. alcaftadine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review alcaftadine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. anileridine bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review anileridine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. anileridine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review anileridine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. anisotropine_methylbromide bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review anisotropine_methylbromide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review anisotropine_methylbromide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. antipyrine refractive_error SPECULATIVE 0.0982 0.0 pirbuterol Speculative: Review antipyrine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. arbutamine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review arbutamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. bepotastine bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review bepotastine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. bepotastine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review bepotastine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cladribine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review cladribine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. codeine hepatitis_b SPECULATIVE 0.0982 0.0 mitiglinide Speculative: Review codeine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. desmopressin gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review desmopressin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. felypressin gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review felypressin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fenbufen nephrolithiasis SPECULATIVE 0.0982 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. floxuridine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review floxuridine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. flunarizine bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review flunarizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. flunarizine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review flunarizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. indomethacin gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review indomethacin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ketazolam nephrolithiasis SPECULATIVE 0.0982 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ketazolam refractive_error SPECULATIVE 0.0982 0.0 pirbuterol Speculative: Review ketazolam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ketoprofen bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review ketoprofen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ketorolac bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review ketorolac off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. lisinopril bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review lisinopril off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. methsuximide nephrolithiasis SPECULATIVE 0.0982 0.0 hydrocortisone Speculative: Review methsuximide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. methsuximide refractive_error SPECULATIVE 0.0982 0.0 pirbuterol Speculative: Review methsuximide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. naproxen bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review naproxen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. norepinephrine gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review norepinephrine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. oxybuprocaine bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review oxybuprocaine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. oxybuprocaine gestational_diabetes SPECULATIVE 0.0982 0.0 tolazamide Speculative: Review oxybuprocaine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pasireotide gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review pasireotide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. prazepam nephrolithiasis SPECULATIVE 0.0982 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ramipril bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review ramipril off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. sotalol bone_cancer SPECULATIVE 0.0982 0.0 ibandronate Speculative: Review sotalol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. terlipressin gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review terlipressin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. theophylline nephrolithiasis SPECULATIVE 0.0982 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. theophylline refractive_error SPECULATIVE 0.0982 0.0 pirbuterol Speculative: Review theophylline off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trifluridine gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review trifluridine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. vapreotide gilles_de_la_tourette_syndrome SPECULATIVE 0.0982 0.0 loxapine Speculative: Review vapreotide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. methdilazine urinary_bladder_cancer GAP_HIGH 0.0981 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.24) dexamethasone atopic_dermatitis GAP_HIGH 0.0981 0.2222222222222222 medroxyprogesterone_acetate High-priority: Binding assay dexamethasone→?; validate in atopic_dermatitis cell model. Expected: similar to medroxyprogesterone_acetate (Jaccard=0.22) dexamethasone breast_cancer GAP_HIGH 0.0981 0.2222222222222222 etonogestrel High-priority: Binding assay dexamethasone→?; validate in breast_cancer cell model. Expected: similar to etonogestrel (Jaccard=0.22) nateglinide meningioma GAP_HIGH 0.0981 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in meningioma cell model. Expected: similar to etoricoxib (Jaccard=0.22) olsalazine chronic_obstructive_pulmonary_disease GAP_HIGH 0.0981 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) methyldopa penile_cancer GAP_HIGH 0.0981 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.21) desipramine sclerosing_cholangitis GAP_HIGH 0.0981 0.2 vincristine High-priority: Binding assay desipramine→?; validate in sclerosing_cholangitis cell model. Expected: similar to vincristine (Jaccard=0.20) reboxetine membranous_glomerulonephritis GAP_HIGH 0.0981 0.2 cinacalcet High-priority: Binding assay reboxetine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to cinacalcet (Jaccard=0.20) l-dopa penile_cancer GAP_HIGH 0.0981 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in penile_cancer cell model. Expected: similar to mesalazine (Jaccard=0.19) carbinoxamine celiac_disease GAP_HIGH 0.0981 0.18181818181818182 reboxetine High-priority: Binding assay carbinoxamine→?; validate in celiac_disease cell model. Expected: similar to reboxetine (Jaccard=0.18) phenacemide hepatitis_b GAP_HIGH 0.0981 0.16 mitiglinide High-priority: Binding assay phenacemide→?; validate in hepatitis_b cell model. Expected: similar to mitiglinide (Jaccard=0.16) vindesine epilepsy_syndrome SPECULATIVE 0.0981 0.125 epinastine Speculative: Review vindesine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. lisinopril malignant_mesothelioma SPECULATIVE 0.0981 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. tripelennamine salivary_gland_cancer SPECULATIVE 0.0981 0.11538461538461539 methadone Speculative: Review tripelennamine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. diclofenac primary_biliary_cirrhosis SPECULATIVE 0.0981 0.1111111111111111 bezafibrate Speculative: Review diclofenac off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. chloroprocaine glaucoma SPECULATIVE 0.0981 0.10344827586206896 pseudoephedrine Speculative: Review chloroprocaine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. drostanolone membranous_glomerulonephritis SPECULATIVE 0.0981 0.1 dimetacrine Speculative: Review drostanolone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. estradiol_valeratedienogest malaria SPECULATIVE 0.0981 0.08333333333333333 talbutal Speculative: Review estradiol_valeratedienogest off-target effects vs malaria mechanism. Phenotypic screen recommended. masoprocol acquired_immunodeficiency_syndrome SPECULATIVE 0.0981 0.08 nateglinide Speculative: Review masoprocol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. imatinib panic_disorder SPECULATIVE 0.0981 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. lenalidomide sclerosing_cholangitis SPECULATIVE 0.0981 0.0625 droxidopa Speculative: Review lenalidomide off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. acetic_acid ankylosing_spondylitis SPECULATIVE 0.0981 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. arformoterol lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review arformoterol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. atenolol lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review atenolol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcitriol lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review calcitriol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. conjugated_estrogens atherosclerosis SPECULATIVE 0.0981 0.0 fenoprofen Speculative: Review conjugated_estrogens off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. conjugated_estrogens lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review conjugated_estrogens off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ergocalciferol lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review ergocalciferol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. halazepam type_1_diabetes_mellitus SPECULATIVE 0.0981 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. hydrochlorothiazide lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review hydrochlorothiazide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. remifentanil lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review remifentanil off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. telmisartan atherosclerosis SPECULATIVE 0.0981 0.0 fenoprofen Speculative: Review telmisartan off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trifluridine type_1_diabetes_mellitus SPECULATIVE 0.0981 0.0 hydrocortisone Speculative: Review trifluridine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. tropicamide lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review tropicamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vitamin_a atherosclerosis SPECULATIVE 0.0981 0.0 fenoprofen Speculative: Review vitamin_a off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vitamin_a lymphatic_system_cancer SPECULATIVE 0.0981 0.0 vinblastine Speculative: Review vitamin_a off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pipotiazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.098 0.25 azatadine High-priority: Binding assay pipotiazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.25) alimemazine ocular_cancer GAP_HIGH 0.098 0.23076923076923078 diphenylpyraline High-priority: Binding assay alimemazine→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) amitriptyline rectum_cancer GAP_HIGH 0.098 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in rectum_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) droxidopa kidney_cancer GAP_HIGH 0.098 0.19047619047619047 sulfaphenazole High-priority: Binding assay droxidopa→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.19) aceprometazine salivary_gland_cancer GAP_HIGH 0.098 0.15789473684210525 fentanyl High-priority: Binding assay aceprometazine→?; validate in salivary_gland_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) docetaxel attention_deficit_hyperactivity_disorder GAP_HIGH 0.098 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) butenafine germ_cell_cancer SPECULATIVE 0.098 0.125 epirubicin Speculative: Review butenafine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. epirubicin crohns_disease SPECULATIVE 0.098 0.125 tioguanine Speculative: Review epirubicin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. prednicarbate glaucoma SPECULATIVE 0.098 0.125 dinoprost_tromethamine Speculative: Review prednicarbate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. teniposide coronary_artery_disease SPECULATIVE 0.098 0.125 thioridazine Speculative: Review teniposide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. teniposide narcolepsy SPECULATIVE 0.098 0.125 thioridazine Speculative: Review teniposide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. oxybuprocaine idiopathic_pulmonary_fibrosis SPECULATIVE 0.098 0.12 drospirenone Speculative: Review oxybuprocaine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. methyltestosterone alzheimers_disease SPECULATIVE 0.098 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. methyltestosterone parkinsons_disease SPECULATIVE 0.098 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. furosemide chronic_obstructive_pulmonary_disease SPECULATIVE 0.098 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. imatinib asthma SPECULATIVE 0.098 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs asthma mechanism. Phenotypic screen recommended. imatinib conduct_disorder SPECULATIVE 0.098 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. imatinib hypertension SPECULATIVE 0.098 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs hypertension mechanism. Phenotypic screen recommended. pentostatin obesity SPECULATIVE 0.098 0.07142857142857142 lidocaine Speculative: Review pentostatin off-target effects vs obesity mechanism. Phenotypic screen recommended. telmisartan idiopathic_pulmonary_fibrosis SPECULATIVE 0.098 0.058823529411764705 propafenone Speculative: Review telmisartan off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. desogestrel chronic_kidney_failure SPECULATIVE 0.098 0.05555555555555555 clotrimazole Speculative: Review desogestrel off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. phentermine alcohol_dependence SPECULATIVE 0.098 0.05555555555555555 temazepam Speculative: Review phentermine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. sotalol malaria SPECULATIVE 0.098 0.05555555555555555 modafinil Speculative: Review sotalol off-target effects vs malaria mechanism. Phenotypic screen recommended. clonidine alcohol_dependence SPECULATIVE 0.098 0.05 levorphanol Speculative: Review clonidine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. alfacalcidol azoospermia SPECULATIVE 0.098 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. propericiazine leprosy SPECULATIVE 0.098 0.041666666666666664 phensuximide Speculative: Review propericiazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. adenosine azoospermia SPECULATIVE 0.098 0.038461538461538464 procaine Speculative: Review adenosine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. phenprocoumon gestational_diabetes SPECULATIVE 0.098 0.03571428571428571 bezafibrate Speculative: Review phenprocoumon off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. glucosamine malaria SPECULATIVE 0.098 0.03333333333333333 caffeine Speculative: Review glucosamine off-target effects vs malaria mechanism. Phenotypic screen recommended. prednisone leprosy SPECULATIVE 0.098 0.030303030303030304 sulfapyridine Speculative: Review prednisone off-target effects vs leprosy mechanism. Phenotypic screen recommended. bimatoprost alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review bimatoprost off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorpropamide alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review chlorpropamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. dapsone alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review dapsone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. emtricitabine alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review emtricitabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. theophylline celiac_disease SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. tolbutamide alopecia_areata SPECULATIVE 0.098 0.0 hydrocortisone Speculative: Review tolbutamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fenoprofen esophageal_cancer GAP_HIGH 0.0979 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in esophageal_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) modafinil esophageal_cancer GAP_HIGH 0.0979 0.23076923076923078 tamoxifen High-priority: Binding assay modafinil→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.23) methyldopa malignant_mesothelioma GAP_HIGH 0.0979 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.21) reboxetine germ_cell_cancer GAP_HIGH 0.0979 0.2 tamoxifen High-priority: Binding assay reboxetine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) sorafenib polycystic_ovary_syndrome GAP_HIGH 0.0979 0.2 crizotinib High-priority: Binding assay sorafenib→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to crizotinib (Jaccard=0.20) l-dopa malignant_mesothelioma GAP_HIGH 0.0979 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in malignant_mesothelioma cell model. Expected: similar to mesalazine (Jaccard=0.19) moricizine primary_biliary_cirrhosis GAP_HIGH 0.0979 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tioguanine (Jaccard=0.18) doxepin esophageal_cancer GAP_HIGH 0.0979 0.16666666666666666 tamoxifen High-priority: Binding assay doxepin→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) methylprednisolone epilepsy_syndrome GAP_HIGH 0.0979 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in epilepsy_syndrome cell model. Expected: similar to floctafenine (Jaccard=0.15) cinnarizine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0979 0.14285714285714285 metaraminol Speculative: Review cinnarizine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. aprindine brain_cancer SPECULATIVE 0.0979 0.11764705882352941 levorphanol Speculative: Review aprindine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. chloroprocaine membranous_glomerulonephritis SPECULATIVE 0.0979 0.11764705882352941 mitiglinide Speculative: Review chloroprocaine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. propafenone esophageal_cancer SPECULATIVE 0.0979 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methyltestosterone autistic_disorder SPECULATIVE 0.0979 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. methyltestosterone nicotine_dependence SPECULATIVE 0.0979 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. aspartame thyroid_cancer SPECULATIVE 0.0979 0.10526315789473684 trimipramine Speculative: Review aspartame off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. estazolam thyroid_cancer SPECULATIVE 0.0979 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. alitretinoin restless_legs_syndrome SPECULATIVE 0.0979 0.09090909090909091 amphetamine Speculative: Review alitretinoin off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. cinolazepam glaucoma SPECULATIVE 0.0979 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. imatinib allergic_rhinitis SPECULATIVE 0.0979 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. imatinib bipolar_disorder SPECULATIVE 0.0979 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. difenoxin type_1_diabetes_mellitus SPECULATIVE 0.0979 0.06666666666666667 tolbutamide Speculative: Review difenoxin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. azacitidine coronary_artery_disease SPECULATIVE 0.0979 0.0625 fluvastatin Speculative: Review azacitidine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. adenosine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0979 0.05555555555555555 dyphylline Speculative: Review adenosine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. dipivefrin nephrolithiasis SPECULATIVE 0.0979 0.047619047619047616 cinchocaine Speculative: Review dipivefrin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. imatinib membranous_glomerulonephritis SPECULATIVE 0.0979 0.038461538461538464 adefovir_dipivoxil Speculative: Review imatinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. methylprednisolone gestational_diabetes SPECULATIVE 0.0979 0.037037037037037035 bezafibrate Speculative: Review methylprednisolone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. acetic_acid chronic_obstructive_pulmonary_disease SPECULATIVE 0.0979 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. acetic_acid epilepsy_syndrome SPECULATIVE 0.0979 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. theophylline chronic_kidney_failure SPECULATIVE 0.0979 0.0 cinolazepam Speculative: Review theophylline off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. ethopropazine sclerosing_cholangitis GAP_HIGH 0.0978 0.2631578947368421 isopropamide High-priority: Binding assay ethopropazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to isopropamide (Jaccard=0.26) amitriptyline liver_cancer GAP_HIGH 0.0978 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in liver_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) olsalazine salivary_gland_cancer GAP_HIGH 0.0978 0.21428571428571427 epinephrine High-priority: Binding assay olsalazine→?; validate in salivary_gland_cancer cell model. Expected: similar to epinephrine (Jaccard=0.21) l-tyrosine azoospermia GAP_HIGH 0.0978 0.2 naproxen High-priority: Binding assay l-tyrosine→?; validate in azoospermia cell model. Expected: similar to naproxen (Jaccard=0.20) methdilazine celiac_disease GAP_HIGH 0.0978 0.2 chlorcyclizine High-priority: Binding assay methdilazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.20) megestrol_acetate conduct_disorder GAP_HIGH 0.0978 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) megestrol_acetate panic_disorder GAP_HIGH 0.0978 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) desipramine kidney_cancer GAP_HIGH 0.0978 0.16666666666666666 histamine_phosphate High-priority: Binding assay desipramine→?; validate in kidney_cancer cell model. Expected: similar to histamine_phosphate (Jaccard=0.17) bethanidine duodenum_cancer GAP_HIGH 0.0978 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) bethanidine gallbladder_cancer GAP_HIGH 0.0978 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) bethanidine melanoma GAP_HIGH 0.0978 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.16) aceprometazine ocular_cancer GAP_HIGH 0.0978 0.15789473684210525 fentanyl High-priority: Binding assay aceprometazine→?; validate in ocular_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) phenindamine pharynx_cancer SPECULATIVE 0.0978 0.14285714285714285 alendronate Speculative: Review phenindamine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. loteprednol focal_segmental_glomerulosclerosis SPECULATIVE 0.0978 0.125 calcitriol Speculative: Review loteprednol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. methylprednisolone refractive_error SPECULATIVE 0.0978 0.125 succinylcholine Speculative: Review methylprednisolone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. floxuridine metabolic_syndrome_x SPECULATIVE 0.0978 0.11764705882352941 trimethoprim Speculative: Review floxuridine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. trandolapril meningioma SPECULATIVE 0.0978 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs meningioma mechanism. Phenotypic screen recommended. tripelennamine ocular_cancer SPECULATIVE 0.0978 0.11538461538461539 methadone Speculative: Review tripelennamine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. acetophenazine atherosclerosis SPECULATIVE 0.0978 0.1111111111111111 aminosalicylic_acid Speculative: Review acetophenazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. antazoline refractive_error SPECULATIVE 0.0978 0.1111111111111111 apraclonidine Speculative: Review antazoline off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methamphetamine type_1_diabetes_mellitus SPECULATIVE 0.0978 0.1111111111111111 cyclandelate Speculative: Review methamphetamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. nitrazepam malignant_mesothelioma SPECULATIVE 0.0978 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phenindamine type_1_diabetes_mellitus SPECULATIVE 0.0978 0.1111111111111111 benzatropine Speculative: Review phenindamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. anisotropine_methylbromide hypertension SPECULATIVE 0.0978 0.1 cinolazepam Speculative: Review anisotropine_methylbromide off-target effects vs hypertension mechanism. Phenotypic screen recommended. prednisolone atherosclerosis SPECULATIVE 0.0978 0.1 clofibrate Speculative: Review prednisolone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alitretinoin asthma SPECULATIVE 0.0978 0.08333333333333333 dopamine Speculative: Review alitretinoin off-target effects vs asthma mechanism. Phenotypic screen recommended. desogestrel nicotine_dependence SPECULATIVE 0.0978 0.08333333333333333 l-tryptophan Speculative: Review desogestrel off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. enalapril prostate_cancer SPECULATIVE 0.0978 0.08333333333333333 irinotecan Speculative: Review enalapril off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. entecavir crohns_disease SPECULATIVE 0.0978 0.08333333333333333 tioguanine Speculative: Review entecavir off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. alprazolam pharynx_cancer SPECULATIVE 0.0978 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide azoospermia SPECULATIVE 0.0978 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. imatinib endogenous_depression SPECULATIVE 0.0978 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. diphenylpyraline leprosy SPECULATIVE 0.0978 0.07142857142857142 phenmetrazine Speculative: Review diphenylpyraline off-target effects vs leprosy mechanism. Phenotypic screen recommended. vitamin_a multiple_sclerosis SPECULATIVE 0.0978 0.058823529411764705 gliclazide Speculative: Review vitamin_a off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. clofarabine celiac_disease SPECULATIVE 0.0978 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. ethotoin head_and_neck_cancer SPECULATIVE 0.0978 0.047619047619047616 pantoprazole Speculative: Review ethotoin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. calcipotriol celiac_disease SPECULATIVE 0.0978 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. masoprocol gestational_diabetes SPECULATIVE 0.0978 0.04 gliclazide Speculative: Review masoprocol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alcaftadine lymphatic_system_cancer SPECULATIVE 0.0978 0.0392156862745098 s-adenosylmethionine Speculative: Review alcaftadine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. olanzapine hepatitis_b SPECULATIVE 0.0978 0.02857142857142857 adenosine_triphosphate Speculative: Review olanzapine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. procainamide bone_cancer SPECULATIVE 0.0978 0.017857142857142856 histamine_phosphate Speculative: Review procainamide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. thiothixene idiopathic_pulmonary_fibrosis GAP_HIGH 0.0977 0.25 azatadine High-priority: Binding assay thiothixene→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.25) procainamide polycystic_ovary_syndrome GAP_HIGH 0.0977 0.2087912087912088 gefitinib High-priority: Binding assay procainamide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gefitinib (Jaccard=0.21) clotrimazole germ_cell_cancer GAP_HIGH 0.0977 0.19047619047619047 toremifene High-priority: Binding assay clotrimazole→?; validate in germ_cell_cancer cell model. Expected: similar to toremifene (Jaccard=0.19) dexamethasone celiac_disease GAP_HIGH 0.0977 0.17647058823529413 betamethasone High-priority: Binding assay dexamethasone→?; validate in celiac_disease cell model. Expected: similar to betamethasone (Jaccard=0.18) procaine ovarian_cancer GAP_HIGH 0.0977 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in ovarian_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) procaine uterine_cancer GAP_HIGH 0.0977 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in uterine_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) clodronate chronic_obstructive_pulmonary_disease SPECULATIVE 0.0977 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. buclizine glaucoma SPECULATIVE 0.0977 0.13793103448275862 polythiazide Speculative: Review buclizine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ketoprofen crohns_disease SPECULATIVE 0.0977 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. oxybuprocaine primary_biliary_cirrhosis SPECULATIVE 0.0977 0.12 drospirenone Speculative: Review oxybuprocaine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. methyltestosterone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0977 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. diclofenac malignant_mesothelioma SPECULATIVE 0.0977 0.1 phenytoin Speculative: Review diclofenac off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. furosemide stomach_cancer SPECULATIVE 0.0977 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. alitretinoin allergic_rhinitis SPECULATIVE 0.0977 0.08333333333333333 dopamine Speculative: Review alitretinoin off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. alitretinoin atopic_dermatitis SPECULATIVE 0.0977 0.08333333333333333 dopamine Speculative: Review alitretinoin off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. cladribine celiac_disease SPECULATIVE 0.0977 0.07692307692307693 tioguanine Speculative: Review cladribine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. imatinib multiple_sclerosis SPECULATIVE 0.0977 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. pirbuterol prostate_cancer SPECULATIVE 0.0977 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. enalapril refractive_error SPECULATIVE 0.0977 0.0625 epinephrine Speculative: Review enalapril off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clonazepam meningioma SPECULATIVE 0.0977 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide alopecia_areata SPECULATIVE 0.0977 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine_triphosphate malaria SPECULATIVE 0.0977 0.043478260869565216 phensuximide Speculative: Review adenosine_triphosphate off-target effects vs malaria mechanism. Phenotypic screen recommended. regadenoson glaucoma SPECULATIVE 0.0977 0.037037037037037035 l-carnitine Speculative: Review regadenoson off-target effects vs glaucoma mechanism. Phenotypic screen recommended. desogestrel acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review desogestrel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. dienestrol acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review dienestrol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. estazolam acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review estazolam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. levomilnacipran acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review levomilnacipran off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. levonorgestrel acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review levonorgestrel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. medroxyprogesterone_acetate acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review medroxyprogesterone_acetate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. metaraminol acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review metaraminol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. milnacipran acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review milnacipran off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. oxyphenonium glaucoma SPECULATIVE 0.0977 0.0 pirbuterol Speculative: Review oxyphenonium off-target effects vs glaucoma mechanism. Phenotypic screen recommended. pimozide acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review pimozide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednisolone leprosy SPECULATIVE 0.0977 0.0 sulfapyridine Speculative: Review prednisolone off-target effects vs leprosy mechanism. Phenotypic screen recommended. topotecan leprosy SPECULATIVE 0.0977 0.0 sulfapyridine Speculative: Review topotecan off-target effects vs leprosy mechanism. Phenotypic screen recommended. trifluridine glaucoma SPECULATIVE 0.0977 0.0 pirbuterol Speculative: Review trifluridine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. trilostane acquired_immunodeficiency_syndrome SPECULATIVE 0.0977 0.0 mitiglinide Speculative: Review trilostane off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clomipramine mediastinal_cancer GAP_HIGH 0.0976 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in mediastinal_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) metoclopramide polycystic_ovary_syndrome GAP_HIGH 0.0976 0.21505376344086022 gefitinib High-priority: Binding assay metoclopramide→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to gefitinib (Jaccard=0.22) megestrol_acetate bipolar_disorder GAP_HIGH 0.0976 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) megestrol_acetate endogenous_depression GAP_HIGH 0.0976 0.1875 levorphanol High-priority: Binding assay megestrol_acetate→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) acetophenazine crohns_disease GAP_HIGH 0.0976 0.16666666666666666 bepotastine High-priority: Binding assay acetophenazine→?; validate in crohns_disease cell model. Expected: similar to bepotastine (Jaccard=0.17) docetaxel hypertension GAP_HIGH 0.0976 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in hypertension cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) adenosine_monophosphate breast_cancer SPECULATIVE 0.0976 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate colon_cancer SPECULATIVE 0.0976 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. menadione penile_cancer SPECULATIVE 0.0976 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salicylic_acid kidney_cancer SPECULATIVE 0.0976 0.14285714285714285 acetaminophen Speculative: Review salicylic_acid off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. vismodegib head_and_neck_cancer SPECULATIVE 0.0976 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. vismodegib malignant_glioma SPECULATIVE 0.0976 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. aspartame pancreatitis SPECULATIVE 0.0976 0.10526315789473684 trimipramine Speculative: Review aspartame off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. cinolazepam prostate_cancer SPECULATIVE 0.0976 0.10526315789473684 mazindol Speculative: Review cinolazepam off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. oxybuprocaine head_and_neck_cancer SPECULATIVE 0.0976 0.0967741935483871 fludrocortisone Speculative: Review oxybuprocaine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. etidronic_acid pancreatitis SPECULATIVE 0.0976 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. furosemide pancreatic_cancer SPECULATIVE 0.0976 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. flunarizine brain_cancer SPECULATIVE 0.0976 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. flunarizine intracranial_aneurysm SPECULATIVE 0.0976 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. anisotropine_methylbromide membranous_glomerulonephritis SPECULATIVE 0.0976 0.07692307692307693 calcium_acetate Speculative: Review anisotropine_methylbromide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. difenoxin esophageal_cancer SPECULATIVE 0.0976 0.0625 tamoxifen Speculative: Review difenoxin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. enalapril glaucoma SPECULATIVE 0.0976 0.05555555555555555 practolol Speculative: Review enalapril off-target effects vs glaucoma mechanism. Phenotypic screen recommended. tretinoin celiac_disease SPECULATIVE 0.0976 0.047619047619047616 sorafenib Speculative: Review tretinoin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-tyrosine leprosy SPECULATIVE 0.0976 0.045454545454545456 sulfapyridine Speculative: Review l-tyrosine off-target effects vs leprosy mechanism. Phenotypic screen recommended. difenoxin atherosclerosis SPECULATIVE 0.0976 0.04 naproxen Speculative: Review difenoxin off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. norelgestromin hepatitis_b SPECULATIVE 0.0976 0.02631578947368421 adenosine_triphosphate Speculative: Review norelgestromin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acenocoumarol acquired_immunodeficiency_syndrome SPECULATIVE 0.0976 0.015151515151515152 adenosine_monophosphate Speculative: Review acenocoumarol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. codeine larynx_cancer SPECULATIVE 0.0976 0.0 vinblastine Speculative: Review codeine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cytarabine larynx_cancer SPECULATIVE 0.0976 0.0 vinblastine Speculative: Review cytarabine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. loratadine penile_cancer SPECULATIVE 0.0976 0.0 hydrocortisone Speculative: Review loratadine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. diphenylpyraline germ_cell_cancer GAP_HIGH 0.0975 0.25 tamoxifen High-priority: Binding assay diphenylpyraline→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.25) olsalazine ocular_cancer GAP_HIGH 0.0975 0.21428571428571427 epinephrine High-priority: Binding assay olsalazine→?; validate in ocular_cancer cell model. Expected: similar to epinephrine (Jaccard=0.21) warfarin kidney_cancer GAP_HIGH 0.0975 0.21052631578947367 chloroprocaine High-priority: Binding assay warfarin→?; validate in kidney_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.21) salsalate malignant_mesothelioma GAP_HIGH 0.0975 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.21) desipramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0975 0.1875 propafenone High-priority: Binding assay desipramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.19) buclizine osteoporosis GAP_HIGH 0.0975 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in osteoporosis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) salicylate-sodium chronic_kidney_failure GAP_HIGH 0.0975 0.17647058823529413 salsalate High-priority: Binding assay salicylate-sodium→?; validate in chronic_kidney_failure cell model. Expected: similar to salsalate (Jaccard=0.18) docetaxel allergic_rhinitis GAP_HIGH 0.0975 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) clozapine celiac_disease GAP_HIGH 0.0975 0.15625 chlorcyclizine High-priority: Binding assay clozapine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.16) teniposide restless_legs_syndrome SPECULATIVE 0.0975 0.14285714285714285 acetazolamide Speculative: Review teniposide off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. nitrazepam stomach_cancer SPECULATIVE 0.0975 0.13333333333333333 oxaprozin Speculative: Review nitrazepam off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. vindesine alzheimers_disease SPECULATIVE 0.0975 0.125 epinastine Speculative: Review vindesine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. lisinopril meningioma SPECULATIVE 0.0975 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs meningioma mechanism. Phenotypic screen recommended. salsalate acquired_immunodeficiency_syndrome SPECULATIVE 0.0975 0.11764705882352941 alvimopan Speculative: Review salsalate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. arbutamine head_and_neck_cancer SPECULATIVE 0.0975 0.09090909090909091 clodronate Speculative: Review arbutamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. arbutamine malignant_glioma SPECULATIVE 0.0975 0.09090909090909091 etidronic_acid Speculative: Review arbutamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. furosemide ovarian_cancer SPECULATIVE 0.0975 0.09090909090909091 procarbazine Speculative: Review furosemide off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. oxazepam refractive_error SPECULATIVE 0.0975 0.09090909090909091 metaraminol Speculative: Review oxazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. zidovudine ankylosing_spondylitis SPECULATIVE 0.0975 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. furosemide lung_cancer SPECULATIVE 0.0975 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. lidocaine membranous_glomerulonephritis SPECULATIVE 0.0975 0.08333333333333333 telbivudine Speculative: Review lidocaine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. alprazolam thyroid_cancer SPECULATIVE 0.0975 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. indapamide esophageal_cancer SPECULATIVE 0.0975 0.07142857142857142 melphalan Speculative: Review indapamide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. chloroprocaine lymphatic_system_cancer SPECULATIVE 0.0975 0.06666666666666667 nelarabine Speculative: Review chloroprocaine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pirbuterol mediastinal_cancer SPECULATIVE 0.0975 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. ethylmorphine head_and_neck_cancer SPECULATIVE 0.0975 0.0625 topotecan Speculative: Review ethylmorphine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ethylmorphine malignant_glioma SPECULATIVE 0.0975 0.0625 topotecan Speculative: Review ethylmorphine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clofarabine head_and_neck_cancer SPECULATIVE 0.0975 0.05263157894736842 methotrexate Speculative: Review clofarabine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clofarabine malignant_glioma SPECULATIVE 0.0975 0.05263157894736842 methotrexate Speculative: Review clofarabine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ribavirin head_and_neck_cancer SPECULATIVE 0.0975 0.05 methotrexate Speculative: Review ribavirin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ribavirin malignant_glioma SPECULATIVE 0.0975 0.05 methotrexate Speculative: Review ribavirin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. etonogestrel hepatitis_b SPECULATIVE 0.0975 0.02857142857142857 adenosine_triphosphate Speculative: Review etonogestrel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cyproheptadine alcohol_dependence SPECULATIVE 0.0975 0.0 midazolam Speculative: Review cyproheptadine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. felypressin brain_cancer SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. felypressin intracranial_aneurysm SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. halazepam intracranial_aneurysm SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. isocarboxazid alcohol_dependence SPECULATIVE 0.0975 0.0 midazolam Speculative: Review isocarboxazid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. pasireotide brain_cancer SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pasireotide intracranial_aneurysm SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pentostatin alcohol_dependence SPECULATIVE 0.0975 0.0 midazolam Speculative: Review pentostatin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. phenmetrazine alcohol_dependence SPECULATIVE 0.0975 0.0 midazolam Speculative: Review phenmetrazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. treprostinil brain_cancer SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. treprostinil intracranial_aneurysm SPECULATIVE 0.0975 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vidarabine alcohol_dependence SPECULATIVE 0.0975 0.0 midazolam Speculative: Review vidarabine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. phenytoin ulcerative_colitis GAP_HIGH 0.0974 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in ulcerative_colitis cell model. Expected: similar to chlorprothixene (Jaccard=0.26) clomipramine thymus_cancer GAP_HIGH 0.0974 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in thymus_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) nateglinide prostate_cancer GAP_HIGH 0.0974 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in prostate_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) olsalazine alzheimers_disease GAP_HIGH 0.0974 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in alzheimers_disease cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) warfarin nephrolithiasis GAP_HIGH 0.0974 0.21052631578947367 chloroprocaine High-priority: Binding assay warfarin→?; validate in nephrolithiasis cell model. Expected: similar to chloroprocaine (Jaccard=0.21) folic_acid crohns_disease GAP_HIGH 0.0974 0.18181818181818182 tioguanine High-priority: Binding assay folic_acid→?; validate in crohns_disease cell model. Expected: similar to tioguanine (Jaccard=0.18) tetrahydrofolic_acid crohns_disease GAP_HIGH 0.0974 0.18181818181818182 tioguanine High-priority: Binding assay tetrahydrofolic_acid→?; validate in crohns_disease cell model. Expected: similar to tioguanine (Jaccard=0.18) l-tyrosine focal_segmental_glomerulosclerosis GAP_HIGH 0.0974 0.18 fenoprofen High-priority: Binding assay l-tyrosine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.18) acetylsalicylic_acid kidney_cancer GAP_HIGH 0.0974 0.15789473684210525 docetaxel High-priority: Binding assay acetylsalicylic_acid→?; validate in kidney_cancer cell model. Expected: similar to docetaxel (Jaccard=0.16) docetaxel psoriasis GAP_HIGH 0.0974 0.15789473684210525 acetylsalicylic_acid High-priority: Binding assay docetaxel→?; validate in psoriasis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.16) nitrazepam pancreatic_cancer SPECULATIVE 0.0974 0.13333333333333333 oxaprozin Speculative: Review nitrazepam off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. crizotinib epilepsy_syndrome SPECULATIVE 0.0974 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. butenafine penile_cancer SPECULATIVE 0.0974 0.125 epirubicin Speculative: Review butenafine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. vindesine amyotrophic_lateral_sclerosis SPECULATIVE 0.0974 0.125 epinastine Speculative: Review vindesine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. vindesine autistic_disorder SPECULATIVE 0.0974 0.125 epinastine Speculative: Review vindesine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. vindesine nicotine_dependence SPECULATIVE 0.0974 0.125 epinastine Speculative: Review vindesine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. vindesine parkinsons_disease SPECULATIVE 0.0974 0.125 epinastine Speculative: Review vindesine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. floxuridine obesity SPECULATIVE 0.0974 0.11764705882352941 trimethoprim Speculative: Review floxuridine off-target effects vs obesity mechanism. Phenotypic screen recommended. vismodegib nephrolithiasis SPECULATIVE 0.0974 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. bromfenac acquired_immunodeficiency_syndrome SPECULATIVE 0.0974 0.1111111111111111 alvimopan Speculative: Review bromfenac off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methyltestosterone panic_disorder SPECULATIVE 0.0974 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. ketoprofen gilles_de_la_tourette_syndrome SPECULATIVE 0.0974 0.1 tolterodine Speculative: Review ketoprofen off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diphenidol brain_cancer SPECULATIVE 0.0974 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diphenidol intracranial_aneurysm SPECULATIVE 0.0974 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alitretinoin migraine SPECULATIVE 0.0974 0.08333333333333333 triamterene Speculative: Review alitretinoin off-target effects vs migraine mechanism. Phenotypic screen recommended. ketorolac esophageal_cancer SPECULATIVE 0.0974 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. ramipril gilles_de_la_tourette_syndrome SPECULATIVE 0.0974 0.08333333333333333 alvimopan Speculative: Review ramipril off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. calcidiol multiple_sclerosis SPECULATIVE 0.0974 0.06666666666666667 anileridine Speculative: Review calcidiol off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. pirbuterol thymus_cancer SPECULATIVE 0.0974 0.06666666666666667 ifenprodil Speculative: Review pirbuterol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. tolmetin gilles_de_la_tourette_syndrome SPECULATIVE 0.0974 0.05263157894736842 diphemanil_methylsulfate Speculative: Review tolmetin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. abacavir gestational_diabetes SPECULATIVE 0.0974 0.0 tolazamide Speculative: Review abacavir off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. acetic_acid lung_cancer SPECULATIVE 0.0974 0.0 hydrocortisone Speculative: Review acetic_acid off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. anisindione dilated_cardiomyopathy SPECULATIVE 0.0974 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cinolazepam bone_cancer SPECULATIVE 0.0974 0.0 ibandronate Speculative: Review cinolazepam off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cinolazepam gestational_diabetes SPECULATIVE 0.0974 0.0 tolazamide Speculative: Review cinolazepam off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. conjugated_estrogens malaria SPECULATIVE 0.0974 0.0 ethotoin Speculative: Review conjugated_estrogens off-target effects vs malaria mechanism. Phenotypic screen recommended. diazepam gestational_diabetes SPECULATIVE 0.0974 0.0 tolazamide Speculative: Review diazepam off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dimetindene dilated_cardiomyopathy SPECULATIVE 0.0974 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. methyclothiazide dilated_cardiomyopathy SPECULATIVE 0.0974 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. orphenadrine dilated_cardiomyopathy SPECULATIVE 0.0974 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. quinethazone gestational_diabetes SPECULATIVE 0.0974 0.0 tolazamide Speculative: Review quinethazone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. telmisartan malaria SPECULATIVE 0.0974 0.0 ethotoin Speculative: Review telmisartan off-target effects vs malaria mechanism. Phenotypic screen recommended. tranylcypromine bone_cancer SPECULATIVE 0.0974 0.0 ibandronate Speculative: Review tranylcypromine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tranylcypromine gestational_diabetes SPECULATIVE 0.0974 0.0 tolazamide Speculative: Review tranylcypromine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vitamin_a malaria SPECULATIVE 0.0974 0.0 ethotoin Speculative: Review vitamin_a off-target effects vs malaria mechanism. Phenotypic screen recommended. phenytoin uterine_cancer GAP_HIGH 0.0973 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in uterine_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) chlorpromazine urinary_bladder_cancer GAP_HIGH 0.0973 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) methdilazine sarcoma GAP_HIGH 0.0973 0.24242424242424243 phenytoin High-priority: Binding assay methdilazine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.24) olsalazine autistic_disorder GAP_HIGH 0.0973 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in autistic_disorder cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) olsalazine nicotine_dependence GAP_HIGH 0.0973 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in nicotine_dependence cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) methyldopa meningioma GAP_HIGH 0.0973 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.21) reboxetine penile_cancer GAP_HIGH 0.0973 0.2 modafinil High-priority: Binding assay reboxetine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.20) warfarin type_1_diabetes_mellitus GAP_HIGH 0.0973 0.2 cyclopentolate High-priority: Binding assay warfarin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.20) buclizine psoriatic_arthritis GAP_HIGH 0.0973 0.19230769230769232 papaverine High-priority: Binding assay buclizine→?; validate in psoriatic_arthritis cell model. Expected: similar to papaverine (Jaccard=0.19) l-dopa meningioma GAP_HIGH 0.0973 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in meningioma cell model. Expected: similar to mesalazine (Jaccard=0.19) clozapine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0973 0.17647058823529413 ephedrine High-priority: Binding assay clozapine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.18) acetylsalicylic_acid nephrolithiasis GAP_HIGH 0.0973 0.15789473684210525 docetaxel High-priority: Binding assay acetylsalicylic_acid→?; validate in nephrolithiasis cell model. Expected: similar to docetaxel (Jaccard=0.16) adenosine_monophosphate ovarian_cancer SPECULATIVE 0.0973 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. methotrexate refractive_error SPECULATIVE 0.0973 0.14285714285714285 dinoprost_tromethamine Speculative: Review methotrexate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. nitrazepam uterine_cancer SPECULATIVE 0.0973 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate breast_cancer SPECULATIVE 0.0973 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. epirubicin gout SPECULATIVE 0.0973 0.125 tioguanine Speculative: Review epirubicin off-target effects vs gout mechanism. Phenotypic screen recommended. ramipril duodenum_cancer SPECULATIVE 0.0973 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. ramipril gallbladder_cancer SPECULATIVE 0.0973 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. ramipril melanoma SPECULATIVE 0.0973 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs melanoma mechanism. Phenotypic screen recommended. methyltestosterone conduct_disorder SPECULATIVE 0.0973 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. ramipril idiopathic_pulmonary_fibrosis SPECULATIVE 0.0973 0.1111111111111111 zafirlukast Speculative: Review ramipril off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. ramipril prostate_cancer SPECULATIVE 0.0973 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. sunitinib alopecia_areata SPECULATIVE 0.0973 0.1111111111111111 dexamethasone Speculative: Review sunitinib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. etidronic_acid rectum_cancer SPECULATIVE 0.0973 0.09090909090909091 etoricoxib Speculative: Review etidronic_acid off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. procaine hepatitis_b SPECULATIVE 0.0973 0.08695652173913043 mitiglinide Speculative: Review procaine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. furosemide alzheimers_disease SPECULATIVE 0.0973 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. furosemide parkinsons_disease SPECULATIVE 0.0973 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. amoxapine brain_cancer SPECULATIVE 0.0973 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. amoxapine intracranial_aneurysm SPECULATIVE 0.0973 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tripelennamine head_and_neck_cancer SPECULATIVE 0.0973 0.07692307692307693 procarbazine Speculative: Review tripelennamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tripelennamine malignant_glioma SPECULATIVE 0.0973 0.07692307692307693 procarbazine Speculative: Review tripelennamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. imatinib metabolic_syndrome_x SPECULATIVE 0.0973 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. l-histidine acquired_immunodeficiency_syndrome SPECULATIVE 0.0973 0.07142857142857142 mitiglinide Speculative: Review l-histidine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. vitamin_a osteoarthritis SPECULATIVE 0.0973 0.058823529411764705 gliclazide Speculative: Review vitamin_a off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. vitamin_a ankylosing_spondylitis SPECULATIVE 0.0973 0.05 sorafenib Speculative: Review vitamin_a off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. buclizine bone_cancer SPECULATIVE 0.0973 0.041666666666666664 clodronate Speculative: Review buclizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyproheptadine lymphatic_system_cancer SPECULATIVE 0.0973 0.0392156862745098 s-adenosylmethionine Speculative: Review cyproheptadine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. thiothixene leprosy SPECULATIVE 0.0973 0.03571428571428571 sulfamethizole Speculative: Review thiothixene off-target effects vs leprosy mechanism. Phenotypic screen recommended. l-glutamine focal_segmental_glomerulosclerosis SPECULATIVE 0.0973 0.024390243902439025 calcium_acetate Speculative: Review l-glutamine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. acetic_acid alzheimers_disease SPECULATIVE 0.0973 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. acetic_acid parkinsons_disease SPECULATIVE 0.0973 0.0 cinolazepam Speculative: Review acetic_acid off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. chlorcyclizine pharynx_cancer GAP_HIGH 0.0972 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.25) estrone metabolic_syndrome_x GAP_HIGH 0.0972 0.25 acetyldigitoxin High-priority: Binding assay estrone→?; validate in metabolic_syndrome_x cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) nateglinide mediastinal_cancer GAP_HIGH 0.0972 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in mediastinal_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) acetylsalicylic_acid amyotrophic_lateral_sclerosis GAP_HIGH 0.0972 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to salicylic_acid (Jaccard=0.20) acetylsalicylic_acid nicotine_dependence GAP_HIGH 0.0972 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in nicotine_dependence cell model. Expected: similar to salicylic_acid (Jaccard=0.20) clotrimazole gout GAP_HIGH 0.0972 0.2 modafinil High-priority: Binding assay clotrimazole→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.20) buclizine systemic_lupus_erythematosus GAP_HIGH 0.0972 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) tiaprofenic_acid membranous_glomerulonephritis GAP_HIGH 0.0972 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.18) trifluoperazine larynx_cancer GAP_HIGH 0.0972 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in larynx_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) doxepin type_1_diabetes_mellitus GAP_HIGH 0.0972 0.16666666666666666 cyclopentolate High-priority: Binding assay doxepin→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.17) procaine skin_cancer GAP_HIGH 0.0972 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in skin_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) liothyronine esophageal_cancer SPECULATIVE 0.0972 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. phenindamine salivary_gland_cancer SPECULATIVE 0.0972 0.14285714285714285 alendronate Speculative: Review phenindamine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate colon_cancer SPECULATIVE 0.0972 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. butenafine malignant_mesothelioma SPECULATIVE 0.0972 0.125 reboxetine Speculative: Review butenafine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. fluorometholone glaucoma SPECULATIVE 0.0972 0.125 succinylcholine Speculative: Review fluorometholone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. methyltestosterone bipolar_disorder SPECULATIVE 0.0972 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. topotecan chronic_kidney_failure SPECULATIVE 0.0972 0.1111111111111111 amitriptyline Speculative: Review topotecan off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. phenoxybenzamine brain_cancer SPECULATIVE 0.0972 0.1 levorphanol Speculative: Review phenoxybenzamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. sulfadiazine chronic_kidney_failure SPECULATIVE 0.0972 0.09090909090909091 mefenamic_acid Speculative: Review sulfadiazine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. furosemide amyotrophic_lateral_sclerosis SPECULATIVE 0.0972 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. pamidronate malaria SPECULATIVE 0.0972 0.07692307692307693 sulfamethizole Speculative: Review pamidronate off-target effects vs malaria mechanism. Phenotypic screen recommended. tolazoline prostate_cancer SPECULATIVE 0.0972 0.06666666666666667 propranolol Speculative: Review tolazoline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. droperidol germ_cell_cancer SPECULATIVE 0.0972 0.058823529411764705 toremifene Speculative: Review droperidol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate larynx_cancer SPECULATIVE 0.0972 0.05714285714285714 methotrexate Speculative: Review adenosine_triphosphate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bethanidine dilated_cardiomyopathy SPECULATIVE 0.0972 0.047619047619047616 milrinone Speculative: Review bethanidine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. calcidiol penile_cancer SPECULATIVE 0.0972 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. l-glutamine celiac_disease SPECULATIVE 0.0972 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. acetic_acid amyotrophic_lateral_sclerosis SPECULATIVE 0.0972 0.0 cinolazepam Speculative: Review acetic_acid off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. acetic_acid autistic_disorder SPECULATIVE 0.0972 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. acetic_acid nicotine_dependence SPECULATIVE 0.0972 0.0 cinolazepam Speculative: Review acetic_acid off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. cabazitaxel leprosy SPECULATIVE 0.0972 0.0 sulfapyridine Speculative: Review cabazitaxel off-target effects vs leprosy mechanism. Phenotypic screen recommended. methylprednisolone leprosy SPECULATIVE 0.0972 0.0 sulfapyridine Speculative: Review methylprednisolone off-target effects vs leprosy mechanism. Phenotypic screen recommended. paclitaxel leprosy SPECULATIVE 0.0972 0.0 sulfapyridine Speculative: Review paclitaxel off-target effects vs leprosy mechanism. Phenotypic screen recommended. prochlorperazine leprosy SPECULATIVE 0.0972 0.0 sulfapyridine Speculative: Review prochlorperazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. nateglinide gout GAP_HIGH 0.0971 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in gout cell model. Expected: similar to etoricoxib (Jaccard=0.22) nateglinide thymus_cancer GAP_HIGH 0.0971 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in thymus_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) carbinoxamine malignant_mesothelioma GAP_HIGH 0.0971 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in malignant_mesothelioma cell model. Expected: similar to trimipramine (Jaccard=0.19) amitriptyline esophageal_cancer GAP_HIGH 0.0971 0.16666666666666666 tamoxifen High-priority: Binding assay amitriptyline→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) etoricoxib brain_cancer GAP_HIGH 0.0971 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in brain_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) etoricoxib intracranial_aneurysm GAP_HIGH 0.0971 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in intracranial_aneurysm cell model. Expected: similar to alendronate (Jaccard=0.17) procaine vulva_cancer GAP_HIGH 0.0971 0.16216216216216217 modafinil High-priority: Binding assay procaine→?; validate in vulva_cancer cell model. Expected: similar to modafinil (Jaccard=0.16) phenelzine membranous_glomerulonephritis GAP_HIGH 0.0971 0.15789473684210525 mitiglinide High-priority: Binding assay phenelzine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.16) dextroamphetamine prostate_cancer SPECULATIVE 0.0971 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. epirubicin narcolepsy SPECULATIVE 0.0971 0.125 butenafine Speculative: Review epirubicin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. vindesine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0971 0.125 epinastine Speculative: Review vindesine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. dextroamphetamine kidney_cancer SPECULATIVE 0.0971 0.1111111111111111 acetaminophen Speculative: Review dextroamphetamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. isoprenaline lymphatic_system_cancer SPECULATIVE 0.0971 0.1111111111111111 streptozocin Speculative: Review isoprenaline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methyltestosterone endogenous_depression SPECULATIVE 0.0971 0.1111111111111111 dextromethorphan Speculative: Review methyltestosterone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. fludiazepam larynx_cancer SPECULATIVE 0.0971 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. estazolam pharynx_cancer SPECULATIVE 0.0971 0.09090909090909091 phenylbutazone Speculative: Review estazolam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. estradiol_valeratedienogest larynx_cancer SPECULATIVE 0.0971 0.09090909090909091 pantoprazole Speculative: Review estradiol_valeratedienogest off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. etidronic_acid parkinsons_disease SPECULATIVE 0.0971 0.09090909090909091 arbutamine Speculative: Review etidronic_acid off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. zidovudine pancreatitis SPECULATIVE 0.0971 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. sulfamethizole idiopathic_pulmonary_fibrosis SPECULATIVE 0.0971 0.08333333333333333 ritodrine Speculative: Review sulfamethizole off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. alimemazine bone_cancer SPECULATIVE 0.0971 0.07692307692307693 alendronate Speculative: Review alimemazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. chlorphenesin azoospermia SPECULATIVE 0.0971 0.058823529411764705 ospemifene Speculative: Review chlorphenesin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. moricizine bone_cancer SPECULATIVE 0.0971 0.058823529411764705 tetrahydrofolic_acid Speculative: Review moricizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. salbutamol chronic_kidney_failure SPECULATIVE 0.0971 0.05555555555555555 salsalate Speculative: Review salbutamol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. pirbuterol kidney_cancer SPECULATIVE 0.0971 0.047619047619047616 quinacrine Speculative: Review pirbuterol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. salbutamol focal_segmental_glomerulosclerosis SPECULATIVE 0.0971 0.045454545454545456 tamsulosin Speculative: Review salbutamol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. trifluoperazine muscle_cancer GAP_HIGH 0.097 0.25 nefazodone High-priority: Binding assay trifluoperazine→?; validate in muscle_cancer cell model. Expected: similar to nefazodone (Jaccard=0.25) phenylbutazone esophageal_cancer GAP_HIGH 0.097 0.2222222222222222 tamoxifen High-priority: Binding assay phenylbutazone→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) buclizine skin_cancer GAP_HIGH 0.097 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in skin_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) sunitinib restless_legs_syndrome GAP_HIGH 0.097 0.17647058823529413 l-arginine High-priority: Binding assay sunitinib→?; validate in restless_legs_syndrome cell model. Expected: similar to l-arginine (Jaccard=0.18) carbidopa kidney_cancer GAP_HIGH 0.097 0.17391304347826086 sulfaphenazole High-priority: Binding assay carbidopa→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.17) pseudoephedrine hepatitis_b GAP_HIGH 0.097 0.16216216216216217 glucosamine High-priority: Binding assay pseudoephedrine→?; validate in hepatitis_b cell model. Expected: similar to glucosamine (Jaccard=0.16) methylprednisolone attention_deficit_hyperactivity_disorder GAP_HIGH 0.097 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to floctafenine (Jaccard=0.15) phenelzine chronic_kidney_failure SPECULATIVE 0.097 0.15 quinethazone Speculative: Review phenelzine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. toremifene alcohol_dependence SPECULATIVE 0.097 0.13043478260869565 levorphanol Speculative: Review toremifene off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. alverine kidney_cancer SPECULATIVE 0.097 0.12 procaine Speculative: Review alverine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. aprindine kidney_cancer SPECULATIVE 0.097 0.11764705882352941 levorphanol Speculative: Review aprindine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ramipril sclerosing_cholangitis SPECULATIVE 0.097 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. clonidine larynx_cancer SPECULATIVE 0.097 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diclofenac melanoma SPECULATIVE 0.097 0.1111111111111111 bezafibrate Speculative: Review diclofenac off-target effects vs melanoma mechanism. Phenotypic screen recommended. estazolam urinary_bladder_cancer SPECULATIVE 0.097 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. abacavir type_2_diabetes_mellitus SPECULATIVE 0.097 0.09090909090909091 methotrexate Speculative: Review abacavir off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. cladribine coronary_artery_disease SPECULATIVE 0.097 0.09090909090909091 fluvastatin Speculative: Review cladribine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. bezafibrate dilated_cardiomyopathy SPECULATIVE 0.097 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. alfacalcidol multiple_sclerosis SPECULATIVE 0.097 0.06666666666666667 anileridine Speculative: Review alfacalcidol off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. calcidiol osteoarthritis SPECULATIVE 0.097 0.06666666666666667 anileridine Speculative: Review calcidiol off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. isocarboxazid focal_segmental_glomerulosclerosis SPECULATIVE 0.097 0.058823529411764705 fenoprofen Speculative: Review isocarboxazid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. azacitidine crohns_disease SPECULATIVE 0.097 0.05555555555555555 tioguanine Speculative: Review azacitidine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. regadenoson coronary_artery_disease SPECULATIVE 0.097 0.05555555555555555 fluvastatin Speculative: Review regadenoson off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. practolol esophageal_cancer SPECULATIVE 0.097 0.047619047619047616 toremifene Speculative: Review practolol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. tioguanine malaria SPECULATIVE 0.097 0.047619047619047616 phensuximide Speculative: Review tioguanine off-target effects vs malaria mechanism. Phenotypic screen recommended. calcidiol malignant_mesothelioma SPECULATIVE 0.097 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. acetic_acid attention_deficit_hyperactivity_disorder SPECULATIVE 0.097 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. amitriptyline uterine_cancer GAP_HIGH 0.0969 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in uterine_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) l-serine vitiligo GAP_HIGH 0.0969 0.18840579710144928 l-histidine High-priority: Binding assay l-serine→?; validate in vitiligo cell model. Expected: similar to l-histidine (Jaccard=0.19) l-dopa azoospermia GAP_HIGH 0.0969 0.17647058823529413 dextroamphetamine High-priority: Binding assay l-dopa→?; validate in azoospermia cell model. Expected: similar to dextroamphetamine (Jaccard=0.18) bethanidine thyroid_cancer GAP_HIGH 0.0969 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) fluorometholone epilepsy_syndrome GAP_HIGH 0.0969 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in epilepsy_syndrome cell model. Expected: similar to floctafenine (Jaccard=0.15) benzatropine refractive_error SPECULATIVE 0.0969 0.14285714285714285 decamethonium Speculative: Review benzatropine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. estradiol glaucoma SPECULATIVE 0.0969 0.14285714285714285 choline Speculative: Review estradiol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phenindamine ocular_cancer SPECULATIVE 0.0969 0.14285714285714285 alendronate Speculative: Review phenindamine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. dextroamphetamine mediastinal_cancer SPECULATIVE 0.0969 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate ovarian_cancer SPECULATIVE 0.0969 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. vindesine panic_disorder SPECULATIVE 0.0969 0.125 epinastine Speculative: Review vindesine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. vindesine schizophrenia SPECULATIVE 0.0969 0.125 epinastine Speculative: Review vindesine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. alverine nephrolithiasis SPECULATIVE 0.0969 0.12 procaine Speculative: Review alverine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. floxuridine restless_legs_syndrome SPECULATIVE 0.0969 0.11764705882352941 trimethoprim Speculative: Review floxuridine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. trandolapril mediastinal_cancer SPECULATIVE 0.0969 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. trandolapril primary_biliary_cirrhosis SPECULATIVE 0.0969 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. crizotinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0969 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. lapatinib coronary_artery_disease SPECULATIVE 0.0969 0.1111111111111111 naloxone Speculative: Review lapatinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. cyclizine atherosclerosis SPECULATIVE 0.0969 0.10526315789473684 warfarin Speculative: Review cyclizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. floctafenine gilles_de_la_tourette_syndrome SPECULATIVE 0.0969 0.09090909090909091 butenafine Speculative: Review floctafenine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. alitretinoin alzheimers_disease SPECULATIVE 0.0969 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. alitretinoin parkinsons_disease SPECULATIVE 0.0969 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. enalapril crohns_disease SPECULATIVE 0.0969 0.07692307692307693 trimipramine Speculative: Review enalapril off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. imatinib obesity SPECULATIVE 0.0969 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs obesity mechanism. Phenotypic screen recommended. teniposide malaria SPECULATIVE 0.0969 0.07142857142857142 caffeine Speculative: Review teniposide off-target effects vs malaria mechanism. Phenotypic screen recommended. fenoprofen leprosy SPECULATIVE 0.0969 0.06 sulfapyridine Speculative: Review fenoprofen off-target effects vs leprosy mechanism. Phenotypic screen recommended. practolol brain_cancer SPECULATIVE 0.0969 0.05263157894736842 levorphanol Speculative: Review practolol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. calcidiol prostate_cancer SPECULATIVE 0.0969 0.05 drostanolone Speculative: Review calcidiol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. alfacalcidol penile_cancer SPECULATIVE 0.0969 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. paricalcitol penile_cancer SPECULATIVE 0.0969 0.041666666666666664 fentanyl Speculative: Review paricalcitol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. pipotiazine leprosy SPECULATIVE 0.0969 0.04081632653061224 phensuximide Speculative: Review pipotiazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. estrone obesity GAP_HIGH 0.0968 0.25 acetyldigitoxin High-priority: Binding assay estrone→?; validate in obesity cell model. Expected: similar to acetyldigitoxin (Jaccard=0.25) chlorcyclizine membranous_glomerulonephritis GAP_HIGH 0.0968 0.2222222222222222 naftifine High-priority: Binding assay chlorcyclizine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to naftifine (Jaccard=0.22) doxorubicin multiple_sclerosis GAP_HIGH 0.0968 0.1724137931034483 glucosamine High-priority: Binding assay doxorubicin→?; validate in multiple_sclerosis cell model. Expected: similar to glucosamine (Jaccard=0.17) bethanidine colon_cancer GAP_HIGH 0.0968 0.16666666666666666 phenacemide High-priority: Binding assay bethanidine→?; validate in colon_cancer cell model. Expected: similar to phenacemide (Jaccard=0.17) liothyronine celiac_disease GAP_HIGH 0.0968 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in celiac_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) crizotinib restless_legs_syndrome SPECULATIVE 0.0968 0.14285714285714285 l-arginine Speculative: Review crizotinib off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. diethylstilbestrol type_1_diabetes_mellitus SPECULATIVE 0.0968 0.14285714285714285 homatropine_methylbromide Speculative: Review diethylstilbestrol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. menadione meningioma SPECULATIVE 0.0968 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs meningioma mechanism. Phenotypic screen recommended. crizotinib alzheimers_disease SPECULATIVE 0.0968 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. dextroamphetamine gout SPECULATIVE 0.0968 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs gout mechanism. Phenotypic screen recommended. dextroamphetamine thymus_cancer SPECULATIVE 0.0968 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. fulvestrant narcolepsy SPECULATIVE 0.0968 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. prednicarbate refractive_error SPECULATIVE 0.0968 0.125 dinoprost_tromethamine Speculative: Review prednicarbate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. teniposide creutzfeldt-jakob_disease SPECULATIVE 0.0968 0.125 thioridazine Speculative: Review teniposide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. vindesine asthma SPECULATIVE 0.0968 0.125 epinastine Speculative: Review vindesine off-target effects vs asthma mechanism. Phenotypic screen recommended. vindesine atopic_dermatitis SPECULATIVE 0.0968 0.125 epinastine Speculative: Review vindesine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. vindesine conduct_disorder SPECULATIVE 0.0968 0.125 epinastine Speculative: Review vindesine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. trandolapril thymus_cancer SPECULATIVE 0.0968 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. lisinopril crohns_disease SPECULATIVE 0.0968 0.11538461538461539 bezafibrate Speculative: Review lisinopril off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. hydrocortisone alcohol_dependence SPECULATIVE 0.0968 0.10714285714285714 levorphanol Speculative: Review hydrocortisone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. docetaxel alopecia_areata SPECULATIVE 0.0968 0.1 cyproterone_acetate Speculative: Review docetaxel off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. promethazine alcohol_dependence SPECULATIVE 0.0968 0.1 ethylmorphine Speculative: Review promethazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. vidarabine gout SPECULATIVE 0.0968 0.09090909090909091 methotrexate Speculative: Review vidarabine off-target effects vs gout mechanism. Phenotypic screen recommended. fulvestrant larynx_cancer SPECULATIVE 0.0968 0.08333333333333333 cabazitaxel Speculative: Review fulvestrant off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. thiothixene bone_cancer SPECULATIVE 0.0968 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. alitretinoin amyotrophic_lateral_sclerosis SPECULATIVE 0.0968 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. adenosine restless_legs_syndrome SPECULATIVE 0.0968 0.0625 caffeine Speculative: Review adenosine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. fluspirilene germ_cell_cancer SPECULATIVE 0.0968 0.058823529411764705 toremifene Speculative: Review fluspirilene off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. dipivefrin membranous_glomerulonephritis SPECULATIVE 0.0968 0.05 tamsulosin Speculative: Review dipivefrin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. clonazepam germ_cell_cancer SPECULATIVE 0.0968 0.045454545454545456 alendronate Speculative: Review clonazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. imatinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0968 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. alprazolam brain_cancer SPECULATIVE 0.0968 0.041666666666666664 levorphanol Speculative: Review alprazolam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate leprosy SPECULATIVE 0.0968 0.037037037037037035 sulfapyridine Speculative: Review fluticasone_propionate off-target effects vs leprosy mechanism. Phenotypic screen recommended. l-glutamine gilles_de_la_tourette_syndrome SPECULATIVE 0.0968 0.02197802197802198 trimipramine Speculative: Review l-glutamine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. l-glutamine alopecia_areata SPECULATIVE 0.0968 0.012048192771084338 fluticasone_propionate Speculative: Review l-glutamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. loratadine meningioma SPECULATIVE 0.0968 0.0 hydrocortisone Speculative: Review loratadine off-target effects vs meningioma mechanism. Phenotypic screen recommended. theophylline azoospermia SPECULATIVE 0.0968 0.0 phenylbutazone Speculative: Review theophylline off-target effects vs azoospermia mechanism. Phenotypic screen recommended. phenytoin vaginal_cancer GAP_HIGH 0.0967 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in vaginal_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) phenytoin vulva_cancer GAP_HIGH 0.0967 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in vulva_cancer cell model. Expected: similar to chlorprothixene (Jaccard=0.26) tamoxifen pharynx_cancer GAP_HIGH 0.0967 0.25 diphenylpyraline High-priority: Binding assay tamoxifen→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.25) olsalazine atopic_dermatitis GAP_HIGH 0.0967 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in atopic_dermatitis cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) olsalazine hypertension GAP_HIGH 0.0967 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in hypertension cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) acetylsalicylic_acid chronic_obstructive_pulmonary_disease GAP_HIGH 0.0967 0.19230769230769232 salsalate High-priority: Binding assay acetylsalicylic_acid→?; validate in chronic_obstructive_pulmonary_disease cell model. Expected: similar to salsalate (Jaccard=0.19) naftifine type_1_diabetes_mellitus GAP_HIGH 0.0967 0.18181818181818182 cyclopentolate High-priority: Binding assay naftifine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.18) bethanidine stomach_cancer GAP_HIGH 0.0967 0.16666666666666666 phenacemide High-priority: Binding assay bethanidine→?; validate in stomach_cancer cell model. Expected: similar to phenacemide (Jaccard=0.17) bevantolol ulcerative_colitis GAP_HIGH 0.0967 0.16216216216216217 diphenylpyraline High-priority: Binding assay bevantolol→?; validate in ulcerative_colitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.16) methylprednisolone schizophrenia GAP_HIGH 0.0967 0.15384615384615385 floctafenine High-priority: Binding assay methylprednisolone→?; validate in schizophrenia cell model. Expected: similar to floctafenine (Jaccard=0.15) propafenone penile_cancer SPECULATIVE 0.0967 0.13793103448275862 fentanyl Speculative: Review propafenone off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. mestranol alzheimers_disease SPECULATIVE 0.0967 0.13636363636363635 levorphanol Speculative: Review mestranol off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. nitrazepam testicular_cancer SPECULATIVE 0.0967 0.13333333333333333 oxaprozin Speculative: Review nitrazepam off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. nitrazepam vaginal_cancer SPECULATIVE 0.0967 0.13333333333333333 clozapine Speculative: Review nitrazepam off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. pazopanib germ_cell_cancer SPECULATIVE 0.0967 0.13333333333333333 docetaxel Speculative: Review pazopanib off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. crizotinib parkinsons_disease SPECULATIVE 0.0967 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. menadione malignant_glioma SPECULATIVE 0.0967 0.125 capecitabine Speculative: Review menadione off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylic_acid esophageal_cancer SPECULATIVE 0.0967 0.125 melphalan Speculative: Review salicylic_acid off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. vindesine allergic_rhinitis SPECULATIVE 0.0967 0.125 epinastine Speculative: Review vindesine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. vindesine bipolar_disorder SPECULATIVE 0.0967 0.125 epinastine Speculative: Review vindesine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. levonorgestrel nicotine_dependence SPECULATIVE 0.0967 0.09090909090909091 l-tryptophan Speculative: Review levonorgestrel off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. methadyl_acetate brain_cancer SPECULATIVE 0.0967 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methadyl_acetate intracranial_aneurysm SPECULATIVE 0.0967 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. furosemide asthma SPECULATIVE 0.0967 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs asthma mechanism. Phenotypic screen recommended. furosemide atopic_dermatitis SPECULATIVE 0.0967 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. furosemide colon_cancer SPECULATIVE 0.0967 0.08571428571428572 fenoprofen Speculative: Review furosemide off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid gestational_diabetes SPECULATIVE 0.0967 0.08333333333333333 tolbutamide Speculative: Review aminosalicylic_acid off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. flunarizine head_and_neck_cancer SPECULATIVE 0.0967 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. flunarizine malignant_glioma SPECULATIVE 0.0967 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ketoprofen hepatitis_b SPECULATIVE 0.0967 0.07692307692307693 glucosamine Speculative: Review ketoprofen off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. aspartame glaucoma SPECULATIVE 0.0967 0.07142857142857142 phenylpropanolamine Speculative: Review aspartame off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fulvestrant lymphatic_system_cancer SPECULATIVE 0.0967 0.06666666666666667 tetrahydrofolic_acid Speculative: Review fulvestrant off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. isocarboxazid type_1_diabetes_mellitus SPECULATIVE 0.0967 0.058823529411764705 methyldopa Speculative: Review isocarboxazid off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. orciprenaline hepatitis_b SPECULATIVE 0.0967 0.05 ribavirin Speculative: Review orciprenaline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alfacalcidol malignant_mesothelioma SPECULATIVE 0.0967 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. olanzapine type_1_diabetes_mellitus SPECULATIVE 0.0967 0.041666666666666664 bezafibrate Speculative: Review olanzapine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. paricalcitol malignant_mesothelioma SPECULATIVE 0.0967 0.041666666666666664 fentanyl Speculative: Review paricalcitol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. zafirlukast prostate_cancer SPECULATIVE 0.0967 0.03571428571428571 trimipramine Speculative: Review zafirlukast off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. levorphanol leprosy SPECULATIVE 0.0967 0.0196078431372549 phensuximide Speculative: Review levorphanol off-target effects vs leprosy mechanism. Phenotypic screen recommended. acetic_acid asthma SPECULATIVE 0.0967 0.0 cinolazepam Speculative: Review acetic_acid off-target effects vs asthma mechanism. Phenotypic screen recommended. acetic_acid panic_disorder SPECULATIVE 0.0967 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. acetic_acid schizophrenia SPECULATIVE 0.0967 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. adenosine atherosclerosis SPECULATIVE 0.0967 0.0 fenoprofen Speculative: Review adenosine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. adinazolam lymphatic_system_cancer SPECULATIVE 0.0967 0.0 vinblastine Speculative: Review adinazolam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clonazepam hepatitis_b SPECULATIVE 0.0967 0.0 mitiglinide Speculative: Review clonazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clotiazepam hepatitis_b SPECULATIVE 0.0967 0.0 mitiglinide Speculative: Review clotiazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. dobutamine hepatitis_b SPECULATIVE 0.0967 0.0 mitiglinide Speculative: Review dobutamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. emtricitabine focal_segmental_glomerulosclerosis SPECULATIVE 0.0967 0.0 methdilazine Speculative: Review emtricitabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide focal_segmental_glomerulosclerosis SPECULATIVE 0.0967 0.0 methdilazine Speculative: Review flavin_adenine_dinucleotide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. paricalcitol lymphatic_system_cancer SPECULATIVE 0.0967 0.0 vinblastine Speculative: Review paricalcitol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phentermine leprosy SPECULATIVE 0.0967 0.0 sulfapyridine Speculative: Review phentermine off-target effects vs leprosy mechanism. Phenotypic screen recommended. pomalidomide focal_segmental_glomerulosclerosis SPECULATIVE 0.0967 0.0 methdilazine Speculative: Review pomalidomide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. triamterene focal_segmental_glomerulosclerosis SPECULATIVE 0.0967 0.0 methdilazine Speculative: Review triamterene off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. phenylbutazone hematologic_cancer GAP_HIGH 0.0966 0.2631578947368421 isopropamide High-priority: Binding assay phenylbutazone→?; validate in hematologic_cancer cell model. Expected: similar to isopropamide (Jaccard=0.26) chlorcyclizine salivary_gland_cancer GAP_HIGH 0.0966 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.25) ethopropazine celiac_disease GAP_HIGH 0.0966 0.2222222222222222 benzatropine High-priority: Binding assay ethopropazine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.22) buclizine systemic_scleroderma GAP_HIGH 0.0966 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in systemic_scleroderma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) mequitazine type_1_diabetes_mellitus GAP_HIGH 0.0966 0.16666666666666666 atropine High-priority: Binding assay mequitazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to atropine (Jaccard=0.17) eplerenone creutzfeldt-jakob_disease SPECULATIVE 0.0966 0.14285714285714285 dextromethorphan Speculative: Review eplerenone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenindamine peripheral_nervous_system_neoplasm SPECULATIVE 0.0966 0.14285714285714285 alendronate Speculative: Review phenindamine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. mestranol nicotine_dependence SPECULATIVE 0.0966 0.13636363636363635 levorphanol Speculative: Review mestranol off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. butenafine meningioma SPECULATIVE 0.0966 0.125 epirubicin Speculative: Review butenafine off-target effects vs meningioma mechanism. Phenotypic screen recommended. menadione kidney_cancer SPECULATIVE 0.0966 0.125 sirolimus Speculative: Review menadione off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phentermine focal_segmental_glomerulosclerosis SPECULATIVE 0.0966 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. vindesine endogenous_depression SPECULATIVE 0.0966 0.125 epinastine Speculative: Review vindesine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. lisinopril mediastinal_cancer SPECULATIVE 0.0966 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. propafenone brain_cancer SPECULATIVE 0.0966 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. propafenone intracranial_aneurysm SPECULATIVE 0.0966 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. ramipril pharynx_cancer SPECULATIVE 0.0966 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. ethopropazine alcohol_dependence SPECULATIVE 0.0966 0.11538461538461539 ethylmorphine Speculative: Review ethopropazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. cinolazepam refractive_error SPECULATIVE 0.0966 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. flunarizine kidney_cancer SPECULATIVE 0.0966 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. alprazolam urinary_bladder_cancer SPECULATIVE 0.0966 0.07692307692307693 phenylbutazone Speculative: Review alprazolam off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. diphemanil_methylsulfate gestational_diabetes SPECULATIVE 0.0966 0.06896551724137931 bezafibrate Speculative: Review diphemanil_methylsulfate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. chlorthalidone type_1_diabetes_mellitus SPECULATIVE 0.0966 0.058823529411764705 glisoxepide Speculative: Review chlorthalidone off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. flurazepam primary_biliary_cirrhosis SPECULATIVE 0.0966 0.058823529411764705 adenine Speculative: Review flurazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. diclofenac larynx_cancer SPECULATIVE 0.0966 0.05263157894736842 doxorubicin Speculative: Review diclofenac off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. oxybuprocaine lymphatic_system_cancer SPECULATIVE 0.0966 0.05263157894736842 nelarabine Speculative: Review oxybuprocaine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. alfacalcidol prostate_cancer SPECULATIVE 0.0966 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. oxazepam atherosclerosis SPECULATIVE 0.0966 0.045454545454545456 salsalate Speculative: Review oxazepam off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. estradiol gestational_diabetes SPECULATIVE 0.0966 0.03125 bezafibrate Speculative: Review estradiol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ethinyl_estradiol gestational_diabetes SPECULATIVE 0.0966 0.02702702702702703 bezafibrate Speculative: Review ethinyl_estradiol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-glutamine brain_cancer SPECULATIVE 0.0966 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-glutamine intracranial_aneurysm SPECULATIVE 0.0966 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. acetic_acid atopic_dermatitis SPECULATIVE 0.0966 0.0 cinolazepam Speculative: Review acetic_acid off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. acetic_acid breast_cancer SPECULATIVE 0.0966 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. acetic_acid colon_cancer SPECULATIVE 0.0966 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. acetic_acid conduct_disorder SPECULATIVE 0.0966 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. allylestrenol acquired_immunodeficiency_syndrome SPECULATIVE 0.0966 0.0 mitiglinide Speculative: Review allylestrenol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aspartame bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review aspartame off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. chloroprocaine bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review chloroprocaine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. chloroprocaine gestational_diabetes SPECULATIVE 0.0966 0.0 tolazamide Speculative: Review chloroprocaine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. doxylamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0966 0.0 mitiglinide Speculative: Review doxylamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. felypressin head_and_neck_cancer SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. felypressin malignant_glioma SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. floctafenine bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review floctafenine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. halazepam head_and_neck_cancer SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. halazepam malignant_glioma SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. indapamide bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review indapamide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. methyltestosterone acquired_immunodeficiency_syndrome SPECULATIVE 0.0966 0.0 mitiglinide Speculative: Review methyltestosterone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. nitrazepam bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review nitrazepam off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. orciprenaline alcohol_dependence SPECULATIVE 0.0966 0.0 midazolam Speculative: Review orciprenaline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. pasireotide head_and_neck_cancer SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pasireotide malignant_glioma SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenformin alcohol_dependence SPECULATIVE 0.0966 0.0 midazolam Speculative: Review phenformin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. procaine bone_cancer SPECULATIVE 0.0966 0.0 ibandronate Speculative: Review procaine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. telbivudine alcohol_dependence SPECULATIVE 0.0966 0.0 midazolam Speculative: Review telbivudine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. terbutaline alcohol_dependence SPECULATIVE 0.0966 0.0 midazolam Speculative: Review terbutaline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. testosterone acquired_immunodeficiency_syndrome SPECULATIVE 0.0966 0.0 mitiglinide Speculative: Review testosterone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. treprostinil head_and_neck_cancer SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. treprostinil malignant_glioma SPECULATIVE 0.0966 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlorpromazine sarcoma GAP_HIGH 0.0965 0.25 phenytoin High-priority: Binding assay chlorpromazine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.25) clomipramine melanoma GAP_HIGH 0.0965 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in melanoma cell model. Expected: similar to phenytoin (Jaccard=0.25) trifluoperazine malignant_mesothelioma GAP_HIGH 0.0965 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in malignant_mesothelioma cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) reboxetine meningioma GAP_HIGH 0.0965 0.2 modafinil High-priority: Binding assay reboxetine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.20) moricizine sclerosing_cholangitis GAP_HIGH 0.0965 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in sclerosing_cholangitis cell model. Expected: similar to tioguanine (Jaccard=0.18) salsalate glaucoma GAP_HIGH 0.0965 0.17647058823529413 salicylate-sodium High-priority: Binding assay salsalate→?; validate in glaucoma cell model. Expected: similar to salicylate-sodium (Jaccard=0.18) etoricoxib type_1_diabetes_mellitus GAP_HIGH 0.0965 0.16 sulfapyridine High-priority: Binding assay etoricoxib→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to sulfapyridine (Jaccard=0.16) bevantolol duodenum_cancer SPECULATIVE 0.0965 0.14705882352941177 naftifine Speculative: Review bevantolol off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. bevantolol gallbladder_cancer SPECULATIVE 0.0965 0.14705882352941177 naftifine Speculative: Review bevantolol off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. fentanyl acquired_immunodeficiency_syndrome SPECULATIVE 0.0965 0.14285714285714285 alvimopan Speculative: Review fentanyl off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenprocoumon refractive_error SPECULATIVE 0.0965 0.13333333333333333 clonidine Speculative: Review phenprocoumon off-target effects vs refractive_error mechanism. Phenotypic screen recommended. menadione nephrolithiasis SPECULATIVE 0.0965 0.125 sirolimus Speculative: Review menadione off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. vindesine migraine SPECULATIVE 0.0965 0.125 epinastine Speculative: Review vindesine off-target effects vs migraine mechanism. Phenotypic screen recommended. vindesine multiple_sclerosis SPECULATIVE 0.0965 0.125 epinastine Speculative: Review vindesine off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. vindesine osteoporosis SPECULATIVE 0.0965 0.125 epinastine Speculative: Review vindesine off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. vindesine psoriasis SPECULATIVE 0.0965 0.125 epinastine Speculative: Review vindesine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. propiomazine malaria SPECULATIVE 0.0965 0.12 modafinil Speculative: Review propiomazine off-target effects vs malaria mechanism. Phenotypic screen recommended. doxorubicin type_1_diabetes_mellitus SPECULATIVE 0.0965 0.11764705882352941 lisinopril Speculative: Review doxorubicin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. lisinopril thymus_cancer SPECULATIVE 0.0965 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. nitrazepam prostate_cancer SPECULATIVE 0.0965 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. ramipril crohns_disease SPECULATIVE 0.0965 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. sorafenib atherosclerosis SPECULATIVE 0.0965 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. mefenamic_acid malaria SPECULATIVE 0.0965 0.1 warfarin Speculative: Review mefenamic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. procaine focal_segmental_glomerulosclerosis SPECULATIVE 0.0965 0.1 ethopropazine Speculative: Review procaine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. diphenidol head_and_neck_cancer SPECULATIVE 0.0965 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diphenidol malignant_glioma SPECULATIVE 0.0965 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. amoxapine head_and_neck_cancer SPECULATIVE 0.0965 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. amoxapine malignant_glioma SPECULATIVE 0.0965 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. flunarizine nephrolithiasis SPECULATIVE 0.0965 0.08333333333333333 fluticasone_propionate Speculative: Review flunarizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. flunarizine refractive_error SPECULATIVE 0.0965 0.08333333333333333 practolol Speculative: Review flunarizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. diclofenac brain_cancer SPECULATIVE 0.0965 0.07142857142857142 cyproterone_acetate Speculative: Review diclofenac off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diclofenac intracranial_aneurysm SPECULATIVE 0.0965 0.07142857142857142 prednicarbate Speculative: Review diclofenac off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. ethynodiol larynx_cancer SPECULATIVE 0.0965 0.07142857142857142 teniposide Speculative: Review ethynodiol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. alfacalcidol osteoarthritis SPECULATIVE 0.0965 0.06666666666666667 anileridine Speculative: Review alfacalcidol off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. adenosine atopic_dermatitis SPECULATIVE 0.0965 0.05555555555555555 dyphylline Speculative: Review adenosine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. pirbuterol nephrolithiasis SPECULATIVE 0.0965 0.045454545454545456 cinchocaine Speculative: Review pirbuterol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. calcipotriol azoospermia SPECULATIVE 0.0965 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. tretinoin chronic_kidney_failure SPECULATIVE 0.0965 0.043478260869565216 acetylsalicylic_acid Speculative: Review tretinoin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. testosterone malaria SPECULATIVE 0.0965 0.029411764705882353 modafinil Speculative: Review testosterone off-target effects vs malaria mechanism. Phenotypic screen recommended. acetic_acid allergic_rhinitis SPECULATIVE 0.0965 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. acetic_acid bipolar_disorder SPECULATIVE 0.0965 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. bimatoprost gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review bimatoprost off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. difenoxin dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review difenoxin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. disopyramide dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. emtricitabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review emtricitabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review flavin_adenine_dinucleotide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. isocarboxazid dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. latanoprost gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review latanoprost off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. oxazepam dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review oxazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pentostatin dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenmetrazine dilated_cardiomyopathy SPECULATIVE 0.0965 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pomalidomide gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review pomalidomide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. theophylline membranous_glomerulonephritis SPECULATIVE 0.0965 0.0 methdilazine Speculative: Review theophylline off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. travoprost gilles_de_la_tourette_syndrome SPECULATIVE 0.0965 0.0 loxapine Speculative: Review travoprost off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. phenylbutazone type_1_diabetes_mellitus GAP_HIGH 0.0964 0.2222222222222222 benzatropine High-priority: Binding assay phenylbutazone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.22) methyldopa mediastinal_cancer GAP_HIGH 0.0964 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.21) l-dopa mediastinal_cancer GAP_HIGH 0.0964 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in mediastinal_cancer cell model. Expected: similar to mesalazine (Jaccard=0.19) meclizine penile_cancer GAP_HIGH 0.0964 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) amitriptyline type_1_diabetes_mellitus GAP_HIGH 0.0964 0.16666666666666666 cyclopentolate High-priority: Binding assay amitriptyline→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.17) acetylsalicylic_acid type_1_diabetes_mellitus SPECULATIVE 0.0964 0.14285714285714285 bromfenac Speculative: Review acetylsalicylic_acid off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. clodronate asthma SPECULATIVE 0.0964 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs asthma mechanism. Phenotypic screen recommended. clodronate atopic_dermatitis SPECULATIVE 0.0964 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. clodronate hypertension SPECULATIVE 0.0964 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs hypertension mechanism. Phenotypic screen recommended. buclizine nephrolithiasis SPECULATIVE 0.0964 0.13793103448275862 polythiazide Speculative: Review buclizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. buclizine refractive_error SPECULATIVE 0.0964 0.13793103448275862 polythiazide Speculative: Review buclizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. doxepin atherosclerosis SPECULATIVE 0.0964 0.125 warfarin Speculative: Review doxepin off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phentermine gilles_de_la_tourette_syndrome SPECULATIVE 0.0964 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. tranylcypromine ocular_cancer SPECULATIVE 0.0964 0.125 phenylpropanolamine Speculative: Review tranylcypromine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. crizotinib coronary_artery_disease SPECULATIVE 0.0964 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. cinolazepam idiopathic_pulmonary_fibrosis SPECULATIVE 0.0964 0.1 anisotropine_methylbromide Speculative: Review cinolazepam off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. diphenidol kidney_cancer SPECULATIVE 0.0964 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. estazolam salivary_gland_cancer SPECULATIVE 0.0964 0.09090909090909091 phenylbutazone Speculative: Review estazolam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate gilles_de_la_tourette_syndrome SPECULATIVE 0.0964 0.07692307692307693 carbinoxamine Speculative: Review cyproterone_acetate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. imatinib type_2_diabetes_mellitus SPECULATIVE 0.0964 0.075 acetylsalicylic_acid Speculative: Review imatinib off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. bepotastine kidney_cancer SPECULATIVE 0.0964 0.07142857142857142 proparacaine Speculative: Review bepotastine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. hydromorphone primary_biliary_cirrhosis SPECULATIVE 0.0964 0.07142857142857142 exemestane Speculative: Review hydromorphone off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. ramipril alopecia_areata SPECULATIVE 0.0964 0.07142857142857142 dexamethasone Speculative: Review ramipril off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. s-adenosylmethionine glaucoma SPECULATIVE 0.0964 0.07017543859649122 l-carnitine Speculative: Review s-adenosylmethionine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. sulfaphenazole lymphatic_system_cancer SPECULATIVE 0.0964 0.05263157894736842 tetrahydrofolic_acid Speculative: Review sulfaphenazole off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0964 0.05 droxidopa Speculative: Review dihydrotachysterol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. diclofenamide coronary_artery_disease SPECULATIVE 0.0964 0.047619047619047616 fentanyl Speculative: Review diclofenamide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. calcidiol meningioma SPECULATIVE 0.0964 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs meningioma mechanism. Phenotypic screen recommended. paricalcitol prostate_cancer SPECULATIVE 0.0964 0.045454545454545456 drostanolone Speculative: Review paricalcitol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. ethotoin brain_cancer SPECULATIVE 0.0964 0.037037037037037035 fluticasone_propionate Speculative: Review ethotoin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ethotoin intracranial_aneurysm SPECULATIVE 0.0964 0.037037037037037035 fluticasone_propionate Speculative: Review ethotoin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. regadenoson refractive_error SPECULATIVE 0.0964 0.037037037037037035 l-carnitine Speculative: Review regadenoson off-target effects vs refractive_error mechanism. Phenotypic screen recommended. s-adenosylmethionine malaria SPECULATIVE 0.0964 0.03571428571428571 caffeine Speculative: Review s-adenosylmethionine off-target effects vs malaria mechanism. Phenotypic screen recommended. acetic_acid endogenous_depression SPECULATIVE 0.0964 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. acetic_acid psoriasis SPECULATIVE 0.0964 0.0 loxapine Speculative: Review acetic_acid off-target effects vs psoriasis mechanism. Phenotypic screen recommended. bimatoprost type_1_diabetes_mellitus SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review bimatoprost off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cytarabine alopecia_areata SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. felypressin nephrolithiasis SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. halazepam nephrolithiasis SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. oxyphenonium refractive_error SPECULATIVE 0.0964 0.0 pirbuterol Speculative: Review oxyphenonium off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pasireotide nephrolithiasis SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. tamsulosin alopecia_areata SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review tamsulosin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trifluridine refractive_error SPECULATIVE 0.0964 0.0 pirbuterol Speculative: Review trifluridine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. zafirlukast alopecia_areata SPECULATIVE 0.0964 0.0 hydrocortisone Speculative: Review zafirlukast off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorcyclizine ocular_cancer GAP_HIGH 0.0963 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.25) pipotiazine sclerosing_cholangitis GAP_HIGH 0.0963 0.25 promazine High-priority: Binding assay pipotiazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to promazine (Jaccard=0.25) amitriptyline vaginal_cancer GAP_HIGH 0.0963 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in vaginal_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) amitriptyline vulva_cancer GAP_HIGH 0.0963 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in vulva_cancer cell model. Expected: similar to alimemazine (Jaccard=0.23) methyldopa thymus_cancer GAP_HIGH 0.0963 0.21052631578947367 mesalazine High-priority: Binding assay methyldopa→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.21) acetylsalicylic_acid migraine GAP_HIGH 0.0963 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in migraine cell model. Expected: similar to salicylic_acid (Jaccard=0.20) l-dopa thymus_cancer GAP_HIGH 0.0963 0.1875 mesalazine High-priority: Binding assay l-dopa→?; validate in thymus_cancer cell model. Expected: similar to mesalazine (Jaccard=0.19) etoricoxib head_and_neck_cancer GAP_HIGH 0.0963 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in head_and_neck_cancer cell model. Expected: similar to alendronate (Jaccard=0.17) etoricoxib malignant_glioma GAP_HIGH 0.0963 0.16666666666666666 alendronate High-priority: Binding assay etoricoxib→?; validate in malignant_glioma cell model. Expected: similar to alendronate (Jaccard=0.17) sorafenib coronary_artery_disease GAP_HIGH 0.0963 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.17) bethanidine lung_cancer GAP_HIGH 0.0963 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) bethanidine rectum_cancer GAP_HIGH 0.0963 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) fosphenytoin pharynx_cancer GAP_HIGH 0.0963 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) clodronate allergic_rhinitis SPECULATIVE 0.0963 0.14285714285714285 ritodrine Speculative: Review clodronate off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. phentermine type_1_diabetes_mellitus SPECULATIVE 0.0963 0.125 cyclandelate Speculative: Review phentermine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. teniposide ankylosing_spondylitis SPECULATIVE 0.0963 0.125 thioridazine Speculative: Review teniposide off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. methamphetamine head_and_neck_cancer SPECULATIVE 0.0963 0.1111111111111111 vincristine Speculative: Review methamphetamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methamphetamine malignant_glioma SPECULATIVE 0.0963 0.1111111111111111 vincristine Speculative: Review methamphetamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. nitrazepam mediastinal_cancer SPECULATIVE 0.0963 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. nortriptyline larynx_cancer SPECULATIVE 0.0963 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bromodiphenhydramine larynx_cancer SPECULATIVE 0.0963 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine head_and_neck_cancer SPECULATIVE 0.0963 0.1 vincristine Speculative: Review phenoxybenzamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine malignant_glioma SPECULATIVE 0.0963 0.1 vincristine Speculative: Review phenoxybenzamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. diclofenac penile_cancer SPECULATIVE 0.0963 0.09090909090909091 phenylbutazone Speculative: Review diclofenac off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. diphenidol nephrolithiasis SPECULATIVE 0.0963 0.09090909090909091 epirubicin Speculative: Review diphenidol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ketoprofen esophageal_cancer SPECULATIVE 0.0963 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. amoxapine nephrolithiasis SPECULATIVE 0.0963 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. alitretinoin colon_cancer SPECULATIVE 0.0963 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. bepotastine nephrolithiasis SPECULATIVE 0.0963 0.07142857142857142 proparacaine Speculative: Review bepotastine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. difenoxin kidney_cancer SPECULATIVE 0.0963 0.06666666666666667 tolbutamide Speculative: Review difenoxin off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. difenoxin intracranial_aneurysm SPECULATIVE 0.0963 0.0625 procarbazine Speculative: Review difenoxin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. regadenoson crohns_disease SPECULATIVE 0.0963 0.05 tioguanine Speculative: Review regadenoson off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. imatinib coronary_artery_disease SPECULATIVE 0.0963 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. ethotoin refractive_error SPECULATIVE 0.0963 0.041666666666666664 chlorphenesin Speculative: Review ethotoin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. bepotastine atherosclerosis SPECULATIVE 0.0963 0.04 phenacemide Speculative: Review bepotastine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. desogestrel hepatitis_b SPECULATIVE 0.0963 0.02564102564102564 adenosine_triphosphate Speculative: Review desogestrel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acetic_acid migraine SPECULATIVE 0.0963 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs migraine mechanism. Phenotypic screen recommended. acetic_acid multiple_sclerosis SPECULATIVE 0.0963 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. antipyrine germ_cell_cancer SPECULATIVE 0.0963 0.0 hydrocortisone Speculative: Review antipyrine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fenbufen germ_cell_cancer SPECULATIVE 0.0963 0.0 hydrocortisone Speculative: Review fenbufen off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. ketazolam germ_cell_cancer SPECULATIVE 0.0963 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. prazepam germ_cell_cancer SPECULATIVE 0.0963 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. theophylline germ_cell_cancer SPECULATIVE 0.0963 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenytoin uterine_fibroid GAP_HIGH 0.0962 0.2647058823529412 chlorprothixene High-priority: Binding assay phenytoin→?; validate in uterine_fibroid cell model. Expected: similar to chlorprothixene (Jaccard=0.26) salsalate prostate_cancer GAP_HIGH 0.0962 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) meclizine malignant_mesothelioma GAP_HIGH 0.0962 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in malignant_mesothelioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) moricizine pharynx_cancer GAP_HIGH 0.0962 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in pharynx_cancer cell model. Expected: similar to tioguanine (Jaccard=0.18) folic_acid membranous_glomerulonephritis GAP_HIGH 0.0962 0.16666666666666666 pentostatin High-priority: Binding assay folic_acid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to pentostatin (Jaccard=0.17) mequitazine glaucoma GAP_HIGH 0.0962 0.16666666666666666 metaraminol High-priority: Binding assay mequitazine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.17) tetrahydrofolic_acid membranous_glomerulonephritis GAP_HIGH 0.0962 0.16666666666666666 pentostatin High-priority: Binding assay tetrahydrofolic_acid→?; validate in membranous_glomerulonephritis cell model. Expected: similar to pentostatin (Jaccard=0.17) phentermine primary_biliary_cirrhosis GAP_HIGH 0.0962 0.15384615384615385 mitiglinide High-priority: Binding assay phentermine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.15) crizotinib panic_disorder SPECULATIVE 0.0962 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. l-histidine type_1_diabetes_mellitus SPECULATIVE 0.0962 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. methamphetamine kidney_cancer SPECULATIVE 0.0962 0.1111111111111111 acetaminophen Speculative: Review methamphetamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. nitrazepam thymus_cancer SPECULATIVE 0.0962 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. alverine alopecia_areata SPECULATIVE 0.0962 0.1 levorphanol Speculative: Review alverine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. diclofenac mediastinal_cancer SPECULATIVE 0.0962 0.1 phenytoin Speculative: Review diclofenac off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine kidney_cancer SPECULATIVE 0.0962 0.1 levorphanol Speculative: Review phenoxybenzamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine nephrolithiasis SPECULATIVE 0.0962 0.1 vincristine Speculative: Review phenoxybenzamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. estazolam sarcoma SPECULATIVE 0.0962 0.0967741935483871 chlorcyclizine Speculative: Review estazolam off-target effects vs sarcoma mechanism. Phenotypic screen recommended. alvimopan larynx_cancer SPECULATIVE 0.0962 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. estazolam ocular_cancer SPECULATIVE 0.0962 0.09090909090909091 phenylbutazone Speculative: Review estazolam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. l-dopa dilated_cardiomyopathy SPECULATIVE 0.0962 0.08333333333333333 milrinone Speculative: Review l-dopa off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. alitretinoin hypertension SPECULATIVE 0.0962 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs hypertension mechanism. Phenotypic screen recommended. methotrimeprazine bone_cancer SPECULATIVE 0.0962 0.07142857142857142 alendronate Speculative: Review methotrimeprazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. practolol primary_biliary_cirrhosis SPECULATIVE 0.0962 0.07142857142857142 mitiglinide Speculative: Review practolol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. calcipotriol chronic_obstructive_pulmonary_disease SPECULATIVE 0.0962 0.0625 anileridine Speculative: Review calcipotriol off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. adenosine migraine SPECULATIVE 0.0962 0.05555555555555555 dyphylline Speculative: Review adenosine off-target effects vs migraine mechanism. Phenotypic screen recommended. paricalcitol pharynx_cancer SPECULATIVE 0.0962 0.05263157894736842 droxidopa Speculative: Review paricalcitol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. dimetacrine leprosy SPECULATIVE 0.0962 0.043478260869565216 sulfamethizole Speculative: Review dimetacrine off-target effects vs leprosy mechanism. Phenotypic screen recommended. drostanolone atherosclerosis SPECULATIVE 0.0962 0.041666666666666664 fenoprofen Speculative: Review drostanolone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vidarabine malaria SPECULATIVE 0.0962 0.038461538461538464 caffeine Speculative: Review vidarabine off-target effects vs malaria mechanism. Phenotypic screen recommended. clodronate alcohol_dependence SPECULATIVE 0.0962 0.02564102564102564 mazindol Speculative: Review clodronate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. propranolol leprosy SPECULATIVE 0.0962 0.02 phensuximide Speculative: Review propranolol off-target effects vs leprosy mechanism. Phenotypic screen recommended. tamoxifen salivary_gland_cancer GAP_HIGH 0.0961 0.25 diphenylpyraline High-priority: Binding assay tamoxifen→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.25) nateglinide duodenum_cancer GAP_HIGH 0.0961 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in duodenum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) nateglinide gallbladder_cancer GAP_HIGH 0.0961 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in gallbladder_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) nateglinide melanoma GAP_HIGH 0.0961 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in melanoma cell model. Expected: similar to etoricoxib (Jaccard=0.22) clotrimazole duodenum_cancer GAP_HIGH 0.0961 0.2 naftifine High-priority: Binding assay clotrimazole→?; validate in duodenum_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) clotrimazole gallbladder_cancer GAP_HIGH 0.0961 0.2 naftifine High-priority: Binding assay clotrimazole→?; validate in gallbladder_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) tiaprofenic_acid malignant_mesothelioma GAP_HIGH 0.0961 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.18) bethanidine liver_cancer GAP_HIGH 0.0961 0.16 etoricoxib High-priority: Binding assay bethanidine→?; validate in liver_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.16) methylprednisolone creutzfeldt-jakob_disease SPECULATIVE 0.0961 0.14285714285714285 dextromethorphan Speculative: Review methylprednisolone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. erlotinib celiac_disease SPECULATIVE 0.0961 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. mestranol conduct_disorder SPECULATIVE 0.0961 0.13636363636363635 levorphanol Speculative: Review mestranol off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. crizotinib asthma SPECULATIVE 0.0961 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs asthma mechanism. Phenotypic screen recommended. ramipril pancreatitis SPECULATIVE 0.0961 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. methamphetamine nephrolithiasis SPECULATIVE 0.0961 0.1111111111111111 vincristine Speculative: Review methamphetamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. diclofenac thymus_cancer SPECULATIVE 0.0961 0.1 phenytoin Speculative: Review diclofenac off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. ketorolac intracranial_aneurysm SPECULATIVE 0.0961 0.08333333333333333 procarbazine Speculative: Review ketorolac off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. bepotastine brain_cancer SPECULATIVE 0.0961 0.06666666666666667 levorphanol Speculative: Review bepotastine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. furosemide primary_biliary_cirrhosis SPECULATIVE 0.0961 0.06666666666666667 melphalan Speculative: Review furosemide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. propranolol gestational_diabetes SPECULATIVE 0.0961 0.0625 tolbutamide Speculative: Review propranolol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. drostanolone larynx_cancer SPECULATIVE 0.0961 0.058823529411764705 methimazole Speculative: Review drostanolone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. difenoxin alopecia_areata SPECULATIVE 0.0961 0.05263157894736842 estradiol_valeratedienogest Speculative: Review difenoxin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. estazolam brain_cancer SPECULATIVE 0.0961 0.05 levorphanol Speculative: Review estazolam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alfacalcidol meningioma SPECULATIVE 0.0961 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs meningioma mechanism. Phenotypic screen recommended. alitretinoin celiac_disease SPECULATIVE 0.0961 0.043478260869565216 sorafenib Speculative: Review alitretinoin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. paricalcitol meningioma SPECULATIVE 0.0961 0.041666666666666664 fentanyl Speculative: Review paricalcitol off-target effects vs meningioma mechanism. Phenotypic screen recommended. thioproperazine leprosy SPECULATIVE 0.0961 0.04 phensuximide Speculative: Review thioproperazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. adenosine_monophosphate atherosclerosis SPECULATIVE 0.0961 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phensuximide bone_cancer SPECULATIVE 0.0961 0.020833333333333332 tetrahydrofolic_acid Speculative: Review phensuximide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. aciclovir malaria SPECULATIVE 0.0961 0.0 ethotoin Speculative: Review aciclovir off-target effects vs malaria mechanism. Phenotypic screen recommended. benzocaine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review benzocaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cinchocaine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review cinchocaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clotiazepam larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review clotiazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. dobutamine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review dobutamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. isoetarine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review isoetarine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. lenalidomide larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review lenalidomide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mephentermine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review mephentermine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. proparacaine larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review proparacaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sulfanilamide larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review sulfanilamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tenofovir larynx_cancer SPECULATIVE 0.0961 0.0 vinblastine Speculative: Review tenofovir off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. chlorcyclizine peripheral_nervous_system_neoplasm GAP_HIGH 0.096 0.25 modafinil High-priority: Binding assay chlorcyclizine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to modafinil (Jaccard=0.25) olsalazine metabolic_syndrome_x GAP_HIGH 0.096 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in metabolic_syndrome_x cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) exemestane amyotrophic_lateral_sclerosis GAP_HIGH 0.096 0.20833333333333334 fludrocortisone High-priority: Binding assay exemestane→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.21) salsalate mediastinal_cancer GAP_HIGH 0.096 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) acetylsalicylic_acid systemic_lupus_erythematosus GAP_HIGH 0.096 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to salicylic_acid (Jaccard=0.20) cortisone_acetate alzheimers_disease GAP_HIGH 0.096 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.18) adenosine_monophosphate polycystic_ovary_syndrome SPECULATIVE 0.096 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. docetaxel gout SPECULATIVE 0.096 0.13333333333333333 gliclazide Speculative: Review docetaxel off-target effects vs gout mechanism. Phenotypic screen recommended. crizotinib allergic_rhinitis SPECULATIVE 0.096 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. amitriptyline atherosclerosis SPECULATIVE 0.096 0.125 warfarin Speculative: Review amitriptyline off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vindesine osteoarthritis SPECULATIVE 0.096 0.125 epinastine Speculative: Review vindesine off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. ramipril salivary_gland_cancer SPECULATIVE 0.096 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. nitrazepam hematologic_cancer SPECULATIVE 0.096 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. lisinopril azoospermia SPECULATIVE 0.096 0.1 propafenone Speculative: Review lisinopril off-target effects vs azoospermia mechanism. Phenotypic screen recommended. vismodegib focal_segmental_glomerulosclerosis SPECULATIVE 0.096 0.1 mefenamic_acid Speculative: Review vismodegib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. procarbazine hepatitis_b SPECULATIVE 0.096 0.09090909090909091 alvimopan Speculative: Review procarbazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. zidovudine breast_cancer SPECULATIVE 0.096 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. alitretinoin multiple_sclerosis SPECULATIVE 0.096 0.07692307692307693 desipramine Speculative: Review alitretinoin off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. phenacemide gestational_diabetes SPECULATIVE 0.096 0.07407407407407407 glimepiride Speculative: Review phenacemide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. propericiazine bone_cancer SPECULATIVE 0.096 0.07142857142857142 alendronate Speculative: Review propericiazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. afatinib hepatitis_b SPECULATIVE 0.096 0.06060606060606061 glucosamine Speculative: Review afatinib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tretinoin crohns_disease SPECULATIVE 0.096 0.05555555555555555 estradiol Speculative: Review tretinoin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. levorphanol bone_cancer SPECULATIVE 0.096 0.05 tetrahydrofolic_acid Speculative: Review levorphanol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fluoxymesterone leprosy SPECULATIVE 0.096 0.045454545454545456 menadione Speculative: Review fluoxymesterone off-target effects vs leprosy mechanism. Phenotypic screen recommended. medroxyprogesterone_acetate hepatitis_b SPECULATIVE 0.096 0.02857142857142857 adenosine_triphosphate Speculative: Review medroxyprogesterone_acetate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. emtricitabine glaucoma SPECULATIVE 0.096 0.0 pirbuterol Speculative: Review emtricitabine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide glaucoma SPECULATIVE 0.096 0.0 pirbuterol Speculative: Review flavin_adenine_dinucleotide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fentanyl gout GAP_HIGH 0.0959 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in gout cell model. Expected: similar to benzatropine (Jaccard=0.24) fentanyl primary_biliary_cirrhosis GAP_HIGH 0.0959 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to benzatropine (Jaccard=0.24) amitriptyline uterine_fibroid GAP_HIGH 0.0959 0.23076923076923078 alimemazine High-priority: Binding assay amitriptyline→?; validate in uterine_fibroid cell model. Expected: similar to alimemazine (Jaccard=0.23) salsalate thymus_cancer GAP_HIGH 0.0959 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) buclizine rheumatoid_arthritis GAP_HIGH 0.0959 0.18421052631578946 diphenylpyraline High-priority: Binding assay buclizine→?; validate in rheumatoid_arthritis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) cortisone_acetate nicotine_dependence GAP_HIGH 0.0959 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) cyclopentolate germ_cell_cancer GAP_HIGH 0.0959 0.16666666666666666 tamoxifen High-priority: Binding assay cyclopentolate→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) fluorometholone attention_deficit_hyperactivity_disorder GAP_HIGH 0.0959 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to floctafenine (Jaccard=0.15) adenosine_monophosphate vitiligo SPECULATIVE 0.0959 0.14754098360655737 lamivudine Speculative: Review adenosine_monophosphate off-target effects vs vitiligo mechanism. Phenotypic screen recommended. menadione mediastinal_cancer SPECULATIVE 0.0959 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. mestranol bipolar_disorder SPECULATIVE 0.0959 0.13636363636363635 levorphanol Speculative: Review mestranol off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. methamphetamine prostate_cancer SPECULATIVE 0.0959 0.13043478260869565 trimipramine Speculative: Review methamphetamine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. epirubicin creutzfeldt-jakob_disease SPECULATIVE 0.0959 0.125 butenafine Speculative: Review epirubicin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. fluorometholone refractive_error SPECULATIVE 0.0959 0.125 succinylcholine Speculative: Review fluorometholone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. diphenylpyraline alcohol_dependence SPECULATIVE 0.0959 0.12121212121212122 ethylmorphine Speculative: Review diphenylpyraline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. fludrocortisone alcohol_dependence SPECULATIVE 0.0959 0.1111111111111111 levorphanol Speculative: Review fludrocortisone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-histidine esophageal_cancer SPECULATIVE 0.0959 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. zidovudine colon_cancer SPECULATIVE 0.0959 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. carbinoxamine alcohol_dependence SPECULATIVE 0.0959 0.07142857142857142 mazindol Speculative: Review carbinoxamine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcipotriol pancreatitis SPECULATIVE 0.0959 0.0625 anileridine Speculative: Review calcipotriol off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. tretinoin narcolepsy SPECULATIVE 0.0959 0.058823529411764705 melphalan Speculative: Review tretinoin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. chlorthalidone alopecia_areata SPECULATIVE 0.0959 0.05 levorphanol Speculative: Review chlorthalidone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. acetylsalicylic_acid alcohol_dependence SPECULATIVE 0.0959 0.045454545454545456 naloxone Speculative: Review acetylsalicylic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. eplerenone gestational_diabetes SPECULATIVE 0.0959 0.037037037037037035 bezafibrate Speculative: Review eplerenone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vidarabine atherosclerosis SPECULATIVE 0.0959 0.034482758620689655 phenylpropanolamine Speculative: Review vidarabine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. goserelin bone_cancer SPECULATIVE 0.0959 0.0 ibandronate Speculative: Review goserelin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. goserelin gestational_diabetes SPECULATIVE 0.0959 0.0 tolazamide Speculative: Review goserelin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lapatinib bone_cancer SPECULATIVE 0.0959 0.0 ibandronate Speculative: Review lapatinib off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. methadyl_acetate gestational_diabetes SPECULATIVE 0.0959 0.0 tolazamide Speculative: Review methadyl_acetate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. oxcarbazepine bone_cancer SPECULATIVE 0.0959 0.0 ibandronate Speculative: Review oxcarbazepine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. phenindione bone_cancer SPECULATIVE 0.0959 0.0 ibandronate Speculative: Review phenindione off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine gestational_diabetes SPECULATIVE 0.0959 0.0 tolazamide Speculative: Review phenoxybenzamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. trandolapril bone_cancer SPECULATIVE 0.0959 0.0 ibandronate Speculative: Review trandolapril off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tamoxifen ocular_cancer GAP_HIGH 0.0958 0.25 diphenylpyraline High-priority: Binding assay tamoxifen→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.25) nateglinide sclerosing_cholangitis GAP_HIGH 0.0958 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in sclerosing_cholangitis cell model. Expected: similar to etoricoxib (Jaccard=0.22) acetylsalicylic_acid osteoarthritis GAP_HIGH 0.0958 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in osteoarthritis cell model. Expected: similar to salicylic_acid (Jaccard=0.20) pazopanib breast_cancer GAP_HIGH 0.0958 0.15789473684210525 erlotinib High-priority: Binding assay pazopanib→?; validate in breast_cancer cell model. Expected: similar to erlotinib (Jaccard=0.16) menadione thymus_cancer SPECULATIVE 0.0958 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. propafenone meningioma SPECULATIVE 0.0958 0.13793103448275862 fentanyl Speculative: Review propafenone off-target effects vs meningioma mechanism. Phenotypic screen recommended. mestranol endogenous_depression SPECULATIVE 0.0958 0.13636363636363635 levorphanol Speculative: Review mestranol off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. crizotinib multiple_sclerosis SPECULATIVE 0.0958 0.13043478260869565 acetylsalicylic_acid Speculative: Review crizotinib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. dextroamphetamine melanoma SPECULATIVE 0.0958 0.13043478260869565 trimipramine Speculative: Review dextroamphetamine off-target effects vs melanoma mechanism. Phenotypic screen recommended. propafenone head_and_neck_cancer SPECULATIVE 0.0958 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. propafenone malignant_glioma SPECULATIVE 0.0958 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ramipril rectum_cancer SPECULATIVE 0.0958 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. trandolapril duodenum_cancer SPECULATIVE 0.0958 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. trandolapril gallbladder_cancer SPECULATIVE 0.0958 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. trandolapril melanoma SPECULATIVE 0.0958 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs melanoma mechanism. Phenotypic screen recommended. trandolapril idiopathic_pulmonary_fibrosis SPECULATIVE 0.0958 0.1111111111111111 zafirlukast Speculative: Review trandolapril off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. ramipril gout SPECULATIVE 0.0958 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs gout mechanism. Phenotypic screen recommended. floxuridine ankylosing_spondylitis SPECULATIVE 0.0958 0.1 tetrahydrofolic_acid Speculative: Review floxuridine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. estazolam peripheral_nervous_system_neoplasm SPECULATIVE 0.0958 0.09090909090909091 phenylbutazone Speculative: Review estazolam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. methadyl_acetate head_and_neck_cancer SPECULATIVE 0.0958 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methadyl_acetate malignant_glioma SPECULATIVE 0.0958 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. sulfadiazine membranous_glomerulonephritis SPECULATIVE 0.0958 0.09090909090909091 mefenamic_acid Speculative: Review sulfadiazine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. zidovudine ulcerative_colitis SPECULATIVE 0.0958 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. l-tryptophan alopecia_areata SPECULATIVE 0.0958 0.08333333333333333 spironolactone Speculative: Review l-tryptophan off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. oxazepam brain_cancer SPECULATIVE 0.0958 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. oxazepam intracranial_aneurysm SPECULATIVE 0.0958 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. perphenazine bone_cancer SPECULATIVE 0.0958 0.07142857142857142 alendronate Speculative: Review perphenazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ziprasidone primary_biliary_cirrhosis SPECULATIVE 0.0958 0.058823529411764705 toremifene Speculative: Review ziprasidone off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. adenosine metabolic_syndrome_x SPECULATIVE 0.0958 0.05555555555555555 lidocaine Speculative: Review adenosine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. enalapril kidney_cancer SPECULATIVE 0.0958 0.05263157894736842 tolazamide Speculative: Review enalapril off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. drostanolone lymphatic_system_cancer SPECULATIVE 0.0958 0.04 tetrahydrofolic_acid Speculative: Review drostanolone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. allylestrenol hepatitis_b SPECULATIVE 0.0958 0.02702702702702703 adenosine_triphosphate Speculative: Review allylestrenol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. l-glutamine head_and_neck_cancer SPECULATIVE 0.0958 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. l-glutamine malignant_glioma SPECULATIVE 0.0958 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. gefitinib gestational_diabetes SPECULATIVE 0.0958 0.015151515151515152 gliclazide Speculative: Review gefitinib off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-glutamine esophageal_cancer SPECULATIVE 0.0958 0.012048192771084338 fluticasone_propionate Speculative: Review l-glutamine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. acetic_acid osteoarthritis SPECULATIVE 0.0958 0.0 flurazepam Speculative: Review acetic_acid off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. alcaftadine alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review alcaftadine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. bimatoprost brain_cancer SPECULATIVE 0.0958 0.0 hydrocortisone Speculative: Review bimatoprost off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. chlorpropamide brain_cancer SPECULATIVE 0.0958 0.0 hydrocortisone Speculative: Review chlorpropamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cladribine alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review cladribine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. floxuridine alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review floxuridine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. flunarizine alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review flunarizine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. ketoprofen alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review ketoprofen off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. ketorolac alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review ketorolac off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. lisinopril alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review lisinopril off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. loratadine gout SPECULATIVE 0.0958 0.0 methdilazine Speculative: Review loratadine off-target effects vs gout mechanism. Phenotypic screen recommended. ramipril alcohol_dependence SPECULATIVE 0.0958 0.0 midazolam Speculative: Review ramipril off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tolbutamide brain_cancer SPECULATIVE 0.0958 0.0 hydrocortisone Speculative: Review tolbutamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. olsalazine obesity GAP_HIGH 0.0957 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in obesity cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) carbinoxamine mediastinal_cancer GAP_HIGH 0.0957 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in mediastinal_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) etoricoxib membranous_glomerulonephritis GAP_HIGH 0.0957 0.17391304347826086 tamsulosin High-priority: Binding assay etoricoxib→?; validate in membranous_glomerulonephritis cell model. Expected: similar to tamsulosin (Jaccard=0.17) fosphenytoin salivary_gland_cancer GAP_HIGH 0.0957 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) carbinoxamine esophageal_cancer GAP_HIGH 0.0957 0.15384615384615385 tamoxifen High-priority: Binding assay carbinoxamine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.15) temazepam brain_cancer SPECULATIVE 0.0957 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. temazepam intracranial_aneurysm SPECULATIVE 0.0957 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. methamphetamine gout SPECULATIVE 0.0957 0.13043478260869565 trimipramine Speculative: Review methamphetamine off-target effects vs gout mechanism. Phenotypic screen recommended. butenafine mediastinal_cancer SPECULATIVE 0.0957 0.125 reboxetine Speculative: Review butenafine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. butenafine primary_biliary_cirrhosis SPECULATIVE 0.0957 0.125 epirubicin Speculative: Review butenafine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. doxepin malaria SPECULATIVE 0.0957 0.125 warfarin Speculative: Review doxepin off-target effects vs malaria mechanism. Phenotypic screen recommended. liothyronine larynx_cancer SPECULATIVE 0.0957 0.125 methimazole Speculative: Review liothyronine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. melphalan type_1_diabetes_mellitus SPECULATIVE 0.0957 0.11764705882352941 gliquidone Speculative: Review melphalan off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. propafenone kidney_cancer SPECULATIVE 0.0957 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ramipril ocular_cancer SPECULATIVE 0.0957 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. eplerenone glaucoma SPECULATIVE 0.0957 0.1111111111111111 dinoprost_tromethamine Speculative: Review eplerenone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. trandolapril prostate_cancer SPECULATIVE 0.0957 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. cinnarizine larynx_cancer SPECULATIVE 0.0957 0.09090909090909091 procarbazine Speculative: Review cinnarizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methadyl_acetate kidney_cancer SPECULATIVE 0.0957 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. zidovudine osteoporosis SPECULATIVE 0.0957 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. zidovudine ovarian_cancer SPECULATIVE 0.0957 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. zidovudine psoriasis SPECULATIVE 0.0957 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. phenprocoumon lymphatic_system_cancer SPECULATIVE 0.0957 0.08695652173913043 riboflavin Speculative: Review phenprocoumon off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. diclofenac head_and_neck_cancer SPECULATIVE 0.0957 0.07142857142857142 prednicarbate Speculative: Review diclofenac off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diclofenac malignant_glioma SPECULATIVE 0.0957 0.07142857142857142 prednicarbate Speculative: Review diclofenac off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lidocaine focal_segmental_glomerulosclerosis SPECULATIVE 0.0957 0.05555555555555555 moricizine Speculative: Review lidocaine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. bepridil leprosy SPECULATIVE 0.0957 0.0 sulfapyridine Speculative: Review bepridil off-target effects vs leprosy mechanism. Phenotypic screen recommended. megestrol_acetate leprosy SPECULATIVE 0.0957 0.0 sulfapyridine Speculative: Review megestrol_acetate off-target effects vs leprosy mechanism. Phenotypic screen recommended. theophylline penile_cancer SPECULATIVE 0.0957 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. vindesine leprosy SPECULATIVE 0.0957 0.0 sulfapyridine Speculative: Review vindesine off-target effects vs leprosy mechanism. Phenotypic screen recommended. thiothixene celiac_disease GAP_HIGH 0.0956 0.21052631578947367 chlorcyclizine High-priority: Binding assay thiothixene→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.21) meclizine meningioma GAP_HIGH 0.0956 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) moricizine salivary_gland_cancer GAP_HIGH 0.0956 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in salivary_gland_cancer cell model. Expected: similar to tioguanine (Jaccard=0.18) erlotinib osteoporosis GAP_HIGH 0.0956 0.17647058823529413 lidocaine High-priority: Binding assay erlotinib→?; validate in osteoporosis cell model. Expected: similar to lidocaine (Jaccard=0.18) menadione polycystic_ovary_syndrome GAP_HIGH 0.0956 0.16666666666666666 candesartan High-priority: Binding assay menadione→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to candesartan (Jaccard=0.17) propericiazine type_1_diabetes_mellitus GAP_HIGH 0.0956 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.17) tiaprofenic_acid refractive_error GAP_HIGH 0.0956 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in refractive_error cell model. Expected: similar to clonidine (Jaccard=0.17) fluorometholone schizophrenia GAP_HIGH 0.0956 0.15384615384615385 floctafenine High-priority: Binding assay fluorometholone→?; validate in schizophrenia cell model. Expected: similar to floctafenine (Jaccard=0.15) sunitinib epilepsy_syndrome GAP_HIGH 0.0956 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in epilepsy_syndrome cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) estradiol refractive_error SPECULATIVE 0.0956 0.14285714285714285 choline Speculative: Review estradiol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ketoprofen creutzfeldt-jakob_disease SPECULATIVE 0.0956 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate polycystic_ovary_syndrome SPECULATIVE 0.0956 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate vitiligo SPECULATIVE 0.0956 0.1282051282051282 lamivudine Speculative: Review adenosine_triphosphate off-target effects vs vitiligo mechanism. Phenotypic screen recommended. butenafine thymus_cancer SPECULATIVE 0.0956 0.125 reboxetine Speculative: Review butenafine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. fulvestrant creutzfeldt-jakob_disease SPECULATIVE 0.0956 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. propafenone nephrolithiasis SPECULATIVE 0.0956 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. suprofen kidney_cancer SPECULATIVE 0.0956 0.1111111111111111 tolazamide Speculative: Review suprofen off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. trimipramine alcohol_dependence SPECULATIVE 0.0956 0.10714285714285714 ethylmorphine Speculative: Review trimipramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tranylcypromine meningioma SPECULATIVE 0.0956 0.10344827586206896 modafinil Speculative: Review tranylcypromine off-target effects vs meningioma mechanism. Phenotypic screen recommended. indapamide rectum_cancer SPECULATIVE 0.0956 0.1 procarbazine Speculative: Review indapamide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. arbutamine membranous_glomerulonephritis SPECULATIVE 0.0956 0.09090909090909091 metolazone Speculative: Review arbutamine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. methadyl_acetate nephrolithiasis SPECULATIVE 0.0956 0.09090909090909091 epirubicin Speculative: Review methadyl_acetate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ethynodiol chronic_kidney_failure SPECULATIVE 0.0956 0.08695652173913043 acetylsalicylic_acid Speculative: Review ethynodiol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. enalapril thyroid_cancer SPECULATIVE 0.0956 0.08333333333333333 irinotecan Speculative: Review enalapril off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. trandolapril gilles_de_la_tourette_syndrome SPECULATIVE 0.0956 0.08333333333333333 alvimopan Speculative: Review trandolapril off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. prednisone gestational_diabetes SPECULATIVE 0.0956 0.06060606060606061 bezafibrate Speculative: Review prednisone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lidocaine gilles_de_la_tourette_syndrome SPECULATIVE 0.0956 0.05555555555555555 moricizine Speculative: Review lidocaine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. paricalcitol salivary_gland_cancer SPECULATIVE 0.0956 0.05263157894736842 droxidopa Speculative: Review paricalcitol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. calcidiol duodenum_cancer SPECULATIVE 0.0956 0.05 drostanolone Speculative: Review calcidiol off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. calcidiol gallbladder_cancer SPECULATIVE 0.0956 0.05 drostanolone Speculative: Review calcidiol off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. pentostatin azoospermia SPECULATIVE 0.0956 0.045454545454545456 procaine Speculative: Review pentostatin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. atropine gestational_diabetes SPECULATIVE 0.0956 0.043478260869565216 bezafibrate Speculative: Review atropine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ethotoin malignant_glioma SPECULATIVE 0.0956 0.037037037037037035 fluticasone_propionate Speculative: Review ethotoin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. levonorgestrel hepatitis_b SPECULATIVE 0.0956 0.02631578947368421 adenosine_triphosphate Speculative: Review levonorgestrel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. hydromorphone lymphatic_system_cancer SPECULATIVE 0.0956 0.018867924528301886 s-adenosylmethionine Speculative: Review hydromorphone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorthalidone dilated_cardiomyopathy SPECULATIVE 0.0956 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. loratadine coronary_artery_disease SPECULATIVE 0.0956 0.0 hydrocortisone Speculative: Review loratadine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. pemetrexed dilated_cardiomyopathy SPECULATIVE 0.0956 0.0 hydrocortisone Speculative: Review pemetrexed off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenformin dilated_cardiomyopathy SPECULATIVE 0.0956 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. telbivudine dilated_cardiomyopathy SPECULATIVE 0.0956 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clomipramine thyroid_cancer GAP_HIGH 0.0955 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in thyroid_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) phenytoin penile_cancer GAP_HIGH 0.0955 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.22) carbinoxamine thymus_cancer GAP_HIGH 0.0955 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in thymus_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) bromfenac glaucoma GAP_HIGH 0.0955 0.16666666666666666 salicylate-sodium High-priority: Binding assay bromfenac→?; validate in glaucoma cell model. Expected: similar to salicylate-sodium (Jaccard=0.17) pirenzepine larynx_cancer SPECULATIVE 0.0955 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. epirubicin ankylosing_spondylitis SPECULATIVE 0.0955 0.125 tioguanine Speculative: Review epirubicin off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. methotrexate type_1_diabetes_mellitus SPECULATIVE 0.0955 0.125 tioguanine Speculative: Review methotrexate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. lisinopril melanoma SPECULATIVE 0.0955 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs melanoma mechanism. Phenotypic screen recommended. phentermine esophageal_cancer SPECULATIVE 0.0955 0.11764705882352941 melphalan Speculative: Review phentermine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. trandolapril sclerosing_cholangitis SPECULATIVE 0.0955 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. vismodegib germ_cell_cancer SPECULATIVE 0.0955 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate schizophrenia SPECULATIVE 0.0955 0.1111111111111111 hydromorphone Speculative: Review cyproterone_acetate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. lisinopril prostate_cancer SPECULATIVE 0.0955 0.1111111111111111 irinotecan Speculative: Review lisinopril off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. diclofenac meningioma SPECULATIVE 0.0955 0.09090909090909091 phenylbutazone Speculative: Review diclofenac off-target effects vs meningioma mechanism. Phenotypic screen recommended. midazolam atherosclerosis SPECULATIVE 0.0955 0.06451612903225806 flurbiprofen Speculative: Review midazolam off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. furosemide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0955 0.0625 ifenprodil Speculative: Review furosemide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. bepotastine esophageal_cancer SPECULATIVE 0.0955 0.058823529411764705 toremifene Speculative: Review bepotastine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. paricalcitol muscle_cancer SPECULATIVE 0.0955 0.05263157894736842 droxidopa Speculative: Review paricalcitol off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. voacamine dilated_cardiomyopathy SPECULATIVE 0.0955 0.05263157894736842 rimexolone Speculative: Review voacamine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. calcidiol mediastinal_cancer SPECULATIVE 0.0955 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. ethylmorphine alopecia_areata SPECULATIVE 0.0955 0.04 levorphanol Speculative: Review ethylmorphine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. hydrocortisone leprosy SPECULATIVE 0.0955 0.04 menadione Speculative: Review hydrocortisone off-target effects vs leprosy mechanism. Phenotypic screen recommended. promazine leprosy SPECULATIVE 0.0955 0.038461538461538464 sulfamethizole Speculative: Review promazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. megestrol_acetate gestational_diabetes SPECULATIVE 0.0955 0.037037037037037035 bezafibrate Speculative: Review megestrol_acetate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. diclofenac acquired_immunodeficiency_syndrome SPECULATIVE 0.0955 0.0 mitiglinide Speculative: Review diclofenac off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ethylmorphine acquired_immunodeficiency_syndrome SPECULATIVE 0.0955 0.0 mitiglinide Speculative: Review ethylmorphine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. hydromorphone acquired_immunodeficiency_syndrome SPECULATIVE 0.0955 0.0 mitiglinide Speculative: Review hydromorphone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. theophylline malignant_mesothelioma SPECULATIVE 0.0955 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phenylbutazone sclerosing_cholangitis GAP_HIGH 0.0954 0.2631578947368421 isopropamide High-priority: Binding assay phenylbutazone→?; validate in sclerosing_cholangitis cell model. Expected: similar to isopropamide (Jaccard=0.26) fenoprofen celiac_disease GAP_HIGH 0.0954 0.2571428571428571 suprofen High-priority: Binding assay fenoprofen→?; validate in celiac_disease cell model. Expected: similar to suprofen (Jaccard=0.26) progesterone amyotrophic_lateral_sclerosis GAP_HIGH 0.0954 0.25 fludrocortisone High-priority: Binding assay progesterone→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.25) clotrimazole primary_biliary_cirrhosis GAP_HIGH 0.0954 0.19047619047619047 toremifene High-priority: Binding assay clotrimazole→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to toremifene (Jaccard=0.19) methyldopa kidney_cancer GAP_HIGH 0.0954 0.18181818181818182 sulfaphenazole High-priority: Binding assay methyldopa→?; validate in kidney_cancer cell model. Expected: similar to sulfaphenazole (Jaccard=0.18) cortisone_acetate panic_disorder GAP_HIGH 0.0954 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) fosphenytoin ocular_cancer GAP_HIGH 0.0954 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) lacosamide type_1_diabetes_mellitus SPECULATIVE 0.0954 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. teniposide amyotrophic_lateral_sclerosis SPECULATIVE 0.0954 0.125 thioridazine Speculative: Review teniposide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. ethynodiol epilepsy_syndrome SPECULATIVE 0.0954 0.1111111111111111 bifonazole Speculative: Review ethynodiol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. indapamide liver_cancer SPECULATIVE 0.0954 0.1 procarbazine Speculative: Review indapamide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. metoclopramide atherosclerosis SPECULATIVE 0.0954 0.08333333333333333 clofibrate Speculative: Review metoclopramide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. diethylpropion head_and_neck_cancer SPECULATIVE 0.0954 0.07407407407407407 fludrocortisone Speculative: Review diethylpropion off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aspartame refractive_error SPECULATIVE 0.0954 0.07142857142857142 phenylpropanolamine Speculative: Review aspartame off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clotrimazole gestational_diabetes SPECULATIVE 0.0954 0.0625 tolbutamide Speculative: Review clotrimazole off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. difenoxin head_and_neck_cancer SPECULATIVE 0.0954 0.0625 procarbazine Speculative: Review difenoxin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. difenoxin malignant_glioma SPECULATIVE 0.0954 0.0625 procarbazine Speculative: Review difenoxin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide brain_cancer SPECULATIVE 0.0954 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. adenosine obesity SPECULATIVE 0.0954 0.05555555555555555 lidocaine Speculative: Review adenosine off-target effects vs obesity mechanism. Phenotypic screen recommended. calcidiol thymus_cancer SPECULATIVE 0.0954 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. pargyline alcohol_dependence SPECULATIVE 0.0954 0.045454545454545456 temazepam Speculative: Review pargyline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcipotriol penile_cancer SPECULATIVE 0.0954 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. progesterone leprosy SPECULATIVE 0.0954 0.043478260869565216 menadione Speculative: Review progesterone off-target effects vs leprosy mechanism. Phenotypic screen recommended. phensuximide gestational_diabetes SPECULATIVE 0.0954 0.016666666666666666 bezafibrate Speculative: Review phensuximide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alfacalcidol atherosclerosis SPECULATIVE 0.0954 0.0 fenoprofen Speculative: Review alfacalcidol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alfacalcidol lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review alfacalcidol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcidiol atherosclerosis SPECULATIVE 0.0954 0.0 fenoprofen Speculative: Review calcidiol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. calcidiol lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review calcidiol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcipotriol atherosclerosis SPECULATIVE 0.0954 0.0 fenoprofen Speculative: Review calcipotriol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. calcipotriol lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review calcipotriol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ceruletide atherosclerosis SPECULATIVE 0.0954 0.0 fenoprofen Speculative: Review ceruletide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. ceruletide lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review ceruletide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorphenesin lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review chlorphenesin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review dihydrotachysterol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. doxapram lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review doxapram off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ethotoin lymphatic_system_cancer SPECULATIVE 0.0954 0.0 vinblastine Speculative: Review ethotoin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nateglinide ankylosing_spondylitis GAP_HIGH 0.0953 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in ankylosing_spondylitis cell model. Expected: similar to etoricoxib (Jaccard=0.22) acetylsalicylic_acid atopic_dermatitis GAP_HIGH 0.0953 0.19230769230769232 salsalate High-priority: Binding assay acetylsalicylic_acid→?; validate in atopic_dermatitis cell model. Expected: similar to salsalate (Jaccard=0.19) moricizine ocular_cancer GAP_HIGH 0.0953 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in ocular_cancer cell model. Expected: similar to tioguanine (Jaccard=0.18) cortisone_acetate conduct_disorder GAP_HIGH 0.0953 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) liothyronine membranous_glomerulonephritis GAP_HIGH 0.0953 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.15) eplerenone parkinsons_disease SPECULATIVE 0.0953 0.14285714285714285 dextromethorphan Speculative: Review eplerenone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. amitriptyline malaria SPECULATIVE 0.0953 0.125 warfarin Speculative: Review amitriptyline off-target effects vs malaria mechanism. Phenotypic screen recommended. flurandrenolide azoospermia SPECULATIVE 0.0953 0.125 diphemanil_methylsulfate Speculative: Review flurandrenolide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. lacosamide malaria SPECULATIVE 0.0953 0.10526315789473684 methylphenobarbital Speculative: Review lacosamide off-target effects vs malaria mechanism. Phenotypic screen recommended. ethynodiol focal_segmental_glomerulosclerosis SPECULATIVE 0.0953 0.07692307692307693 calcitriol Speculative: Review ethynodiol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sulfapyridine hepatitis_b SPECULATIVE 0.0953 0.07692307692307693 trandolapril Speculative: Review sulfapyridine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. lisinopril alopecia_areata SPECULATIVE 0.0953 0.07142857142857142 dexamethasone Speculative: Review lisinopril off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clofarabine coronary_artery_disease SPECULATIVE 0.0953 0.0625 fluvastatin Speculative: Review clofarabine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. paricalcitol ocular_cancer SPECULATIVE 0.0953 0.05263157894736842 droxidopa Speculative: Review paricalcitol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. alfacalcidol duodenum_cancer SPECULATIVE 0.0953 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. alfacalcidol gallbladder_cancer SPECULATIVE 0.0953 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. pirbuterol membranous_glomerulonephritis SPECULATIVE 0.0953 0.047619047619047616 tamsulosin Speculative: Review pirbuterol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. calcidiol coronary_artery_disease SPECULATIVE 0.0953 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. salbutamol kidney_cancer SPECULATIVE 0.0953 0.045454545454545456 quinacrine Speculative: Review salbutamol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol penile_cancer SPECULATIVE 0.0953 0.04 fentanyl Speculative: Review dihydrotachysterol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. calcitriol hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review calcitriol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. conjugated_estrogens hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review conjugated_estrogens off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ergocalciferol hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review ergocalciferol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. hydrochlorothiazide hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review hydrochlorothiazide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. remifentanil hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review remifentanil off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tropicamide hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review tropicamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vitamin_a hepatitis_b SPECULATIVE 0.0953 0.0 mitiglinide Speculative: Review vitamin_a off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. nateglinide thyroid_cancer GAP_HIGH 0.0952 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in thyroid_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) acetylsalicylic_acid pharynx_cancer GAP_HIGH 0.0952 0.18181818181818182 clonidine High-priority: Binding assay acetylsalicylic_acid→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.18) l-tyrosine chronic_kidney_failure GAP_HIGH 0.0952 0.18 fenoprofen High-priority: Binding assay l-tyrosine→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.18) cortisone_acetate bipolar_disorder GAP_HIGH 0.0952 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) erlotinib metabolic_syndrome_x GAP_HIGH 0.0952 0.17647058823529413 lidocaine High-priority: Binding assay erlotinib→?; validate in metabolic_syndrome_x cell model. Expected: similar to lidocaine (Jaccard=0.18) l-serine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0952 0.14925373134328357 acetylcysteine Speculative: Review l-serine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. eplerenone autistic_disorder SPECULATIVE 0.0952 0.14285714285714285 dextromethorphan Speculative: Review eplerenone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. methadone alcohol_dependence SPECULATIVE 0.0952 0.13333333333333333 levorphanol Speculative: Review methadone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. vindesine restless_legs_syndrome SPECULATIVE 0.0952 0.125 epinastine Speculative: Review vindesine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. trandolapril pharynx_cancer SPECULATIVE 0.0952 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. crizotinib creutzfeldt-jakob_disease SPECULATIVE 0.0952 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. nitrazepam melanoma SPECULATIVE 0.0952 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs melanoma mechanism. Phenotypic screen recommended. lamivudine larynx_cancer SPECULATIVE 0.0952 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sulfadiazine creutzfeldt-jakob_disease SPECULATIVE 0.0952 0.10526315789473684 lisinopril Speculative: Review sulfadiazine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. clodronate esophageal_cancer SPECULATIVE 0.0952 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. zidovudine osteoarthritis SPECULATIVE 0.0952 0.09090909090909091 tetrahydrofolic_acid Speculative: Review zidovudine off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. ketorolac head_and_neck_cancer SPECULATIVE 0.0952 0.08333333333333333 procarbazine Speculative: Review ketorolac off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ketorolac malignant_glioma SPECULATIVE 0.0952 0.08333333333333333 procarbazine Speculative: Review ketorolac off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methyltestosterone narcolepsy SPECULATIVE 0.0952 0.08333333333333333 loperamide Speculative: Review methyltestosterone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. anileridine glaucoma SPECULATIVE 0.0952 0.07142857142857142 metaraminol Speculative: Review anileridine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. lacosamide dilated_cardiomyopathy SPECULATIVE 0.0952 0.058823529411764705 trandolapril Speculative: Review lacosamide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clonazepam primary_biliary_cirrhosis SPECULATIVE 0.0952 0.05 atropine Speculative: Review clonazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. diclofenamide sclerosing_cholangitis SPECULATIVE 0.0952 0.047619047619047616 fentanyl Speculative: Review diclofenamide off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. alfacalcidol mediastinal_cancer SPECULATIVE 0.0952 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. calcidiol narcolepsy SPECULATIVE 0.0952 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. calcipotriol malignant_mesothelioma SPECULATIVE 0.0952 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. paricalcitol mediastinal_cancer SPECULATIVE 0.0952 0.041666666666666664 fentanyl Speculative: Review paricalcitol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. alitretinoin chronic_kidney_failure SPECULATIVE 0.0952 0.04 acetylsalicylic_acid Speculative: Review alitretinoin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. clozapine gestational_diabetes SPECULATIVE 0.0952 0.03125 bezafibrate Speculative: Review clozapine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. fosphenytoin gestational_diabetes SPECULATIVE 0.0952 0.029411764705882353 bezafibrate Speculative: Review fosphenytoin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. phenylbutazone celiac_disease GAP_HIGH 0.0951 0.22580645161290322 diphenylpyraline High-priority: Binding assay phenylbutazone→?; validate in celiac_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.23) olsalazine polycystic_ovary_syndrome GAP_HIGH 0.0951 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in polycystic_ovary_syndrome cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) olsalazine type_2_diabetes_mellitus GAP_HIGH 0.0951 0.21428571428571427 salicylate-sodium High-priority: Binding assay olsalazine→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to salicylate-sodium (Jaccard=0.21) bezafibrate narcolepsy GAP_HIGH 0.0951 0.1935483870967742 naproxen High-priority: Binding assay bezafibrate→?; validate in narcolepsy cell model. Expected: similar to naproxen (Jaccard=0.19) clofedanol malaria GAP_HIGH 0.0951 0.18181818181818182 modafinil High-priority: Binding assay clofedanol→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.18) cortisone_acetate endogenous_depression GAP_HIGH 0.0951 0.17647058823529413 levorphanol High-priority: Binding assay cortisone_acetate→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.18) acetylsalicylic_acid penile_cancer GAP_HIGH 0.0951 0.16 afatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in penile_cancer cell model. Expected: similar to afatinib (Jaccard=0.16) fosphenytoin peripheral_nervous_system_neoplasm GAP_HIGH 0.0951 0.16 phenylbutazone High-priority: Binding assay fosphenytoin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.16) diethylstilbestrol alopecia_areata SPECULATIVE 0.0951 0.125 alclometasone Speculative: Review diethylstilbestrol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lisinopril sclerosing_cholangitis SPECULATIVE 0.0951 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. dextroamphetamine germ_cell_cancer SPECULATIVE 0.0951 0.1111111111111111 melphalan Speculative: Review dextroamphetamine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. butenafine type_1_diabetes_mellitus SPECULATIVE 0.0951 0.1 cyclopentolate Speculative: Review butenafine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. ketorolac kidney_cancer SPECULATIVE 0.0951 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. nortriptyline atherosclerosis SPECULATIVE 0.0951 0.08333333333333333 phentermine Speculative: Review nortriptyline off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phenindamine malaria SPECULATIVE 0.0951 0.07692307692307693 modafinil Speculative: Review phenindamine off-target effects vs malaria mechanism. Phenotypic screen recommended. s-adenosylmethionine refractive_error SPECULATIVE 0.0951 0.07017543859649122 l-carnitine Speculative: Review s-adenosylmethionine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. cinolazepam alopecia_areata SPECULATIVE 0.0951 0.0625 levorphanol Speculative: Review cinolazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clonazepam pharynx_cancer SPECULATIVE 0.0951 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. ribavirin coronary_artery_disease SPECULATIVE 0.0951 0.058823529411764705 fluvastatin Speculative: Review ribavirin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate esophageal_cancer SPECULATIVE 0.0951 0.05714285714285714 epirubicin Speculative: Review adenosine_triphosphate off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol dilated_cardiomyopathy SPECULATIVE 0.0951 0.05555555555555555 rimexolone Speculative: Review diethylstilbestrol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. sunitinib acquired_immunodeficiency_syndrome SPECULATIVE 0.0951 0.05 lisinopril Speculative: Review sunitinib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. sulfadiazine lymphatic_system_cancer SPECULATIVE 0.0951 0.047619047619047616 tetrahydrofolic_acid Speculative: Review sulfadiazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. terbutaline hepatitis_b SPECULATIVE 0.0951 0.047619047619047616 ribavirin Speculative: Review terbutaline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alfacalcidol thymus_cancer SPECULATIVE 0.0951 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. loteprednol gestational_diabetes SPECULATIVE 0.0951 0.043478260869565216 bezafibrate Speculative: Review loteprednol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. loxapine bone_cancer SPECULATIVE 0.0951 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. clonidine dilated_cardiomyopathy SPECULATIVE 0.0951 0.04 progesterone Speculative: Review clonidine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. dihydrotachysterol malignant_mesothelioma SPECULATIVE 0.0951 0.04 fentanyl Speculative: Review dihydrotachysterol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. diethylstilbestrol gestational_diabetes SPECULATIVE 0.0951 0.037037037037037035 bezafibrate Speculative: Review diethylstilbestrol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. bevantolol bone_cancer SPECULATIVE 0.0951 0.0 ibandronate Speculative: Review bevantolol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate bone_cancer SPECULATIVE 0.0951 0.0 ibandronate Speculative: Review cyproterone_acetate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cytarabine focal_segmental_glomerulosclerosis SPECULATIVE 0.0951 0.0 methdilazine Speculative: Review cytarabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. dasatinib focal_segmental_glomerulosclerosis SPECULATIVE 0.0951 0.0 methdilazine Speculative: Review dasatinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. metoclopramide bone_cancer SPECULATIVE 0.0951 0.0 ibandronate Speculative: Review metoclopramide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. metoclopramide gestational_diabetes SPECULATIVE 0.0951 0.0 tolazamide Speculative: Review metoclopramide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. midazolam bone_cancer SPECULATIVE 0.0951 0.0 ibandronate Speculative: Review midazolam off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. nilotinib focal_segmental_glomerulosclerosis SPECULATIVE 0.0951 0.0 methdilazine Speculative: Review nilotinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. procainamide gestational_diabetes SPECULATIVE 0.0951 0.0 tolazamide Speculative: Review procainamide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. thalidomide focal_segmental_glomerulosclerosis SPECULATIVE 0.0951 0.0 methdilazine Speculative: Review thalidomide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. trifluoperazine mediastinal_cancer GAP_HIGH 0.095 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in mediastinal_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) mequitazine malignant_mesothelioma GAP_HIGH 0.095 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in malignant_mesothelioma cell model. Expected: similar to isopropamide (Jaccard=0.18) moricizine peripheral_nervous_system_neoplasm GAP_HIGH 0.095 0.18181818181818182 tioguanine High-priority: Binding assay moricizine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tioguanine (Jaccard=0.18) carbinoxamine type_1_diabetes_mellitus GAP_HIGH 0.095 0.15384615384615385 cyclopentolate High-priority: Binding assay carbinoxamine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.15) sunitinib alzheimers_disease GAP_HIGH 0.095 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in alzheimers_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) sunitinib parkinsons_disease GAP_HIGH 0.095 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in parkinsons_disease cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) eplerenone attention_deficit_hyperactivity_disorder SPECULATIVE 0.095 0.14285714285714285 dextromethorphan Speculative: Review eplerenone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. flurandrenolide epilepsy_syndrome SPECULATIVE 0.095 0.14285714285714285 floctafenine Speculative: Review flurandrenolide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. bethanidine chronic_kidney_failure SPECULATIVE 0.095 0.12 quinethazone Speculative: Review bethanidine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. ramipril colon_cancer SPECULATIVE 0.095 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. ramipril chronic_obstructive_pulmonary_disease SPECULATIVE 0.095 0.1111111111111111 zafirlukast Speculative: Review ramipril off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. ramipril thyroid_cancer SPECULATIVE 0.095 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. ketorolac nephrolithiasis SPECULATIVE 0.095 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. anisotropine_methylbromide gout SPECULATIVE 0.095 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs gout mechanism. Phenotypic screen recommended. oxazepam head_and_neck_cancer SPECULATIVE 0.095 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. oxazepam malignant_glioma SPECULATIVE 0.095 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. indapamide celiac_disease SPECULATIVE 0.095 0.07142857142857142 suprofen Speculative: Review indapamide off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. furosemide duodenum_cancer SPECULATIVE 0.095 0.06666666666666667 melphalan Speculative: Review furosemide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. furosemide gallbladder_cancer SPECULATIVE 0.095 0.06666666666666667 melphalan Speculative: Review furosemide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. amitriptyline alcohol_dependence SPECULATIVE 0.095 0.058823529411764705 temazepam Speculative: Review amitriptyline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tolmetin membranous_glomerulonephritis SPECULATIVE 0.095 0.058823529411764705 floctafenine Speculative: Review tolmetin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. diphenidol atherosclerosis SPECULATIVE 0.095 0.05555555555555555 pargyline Speculative: Review diphenidol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. olsalazine bone_cancer SPECULATIVE 0.095 0.05263157894736842 tetrahydrofolic_acid Speculative: Review olsalazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. imatinib creutzfeldt-jakob_disease SPECULATIVE 0.095 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. alcaftadine hepatitis_b SPECULATIVE 0.095 0.0392156862745098 s-adenosylmethionine Speculative: Review alcaftadine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. metoclopramide alcohol_dependence SPECULATIVE 0.095 0.015873015873015872 naloxone Speculative: Review metoclopramide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. abacavir alcohol_dependence SPECULATIVE 0.095 0.0 midazolam Speculative: Review abacavir off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tranylcypromine alcohol_dependence SPECULATIVE 0.095 0.0 midazolam Speculative: Review tranylcypromine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. fenoprofen glaucoma GAP_HIGH 0.0949 0.24242424242424243 atenolol High-priority: Binding assay fenoprofen→?; validate in glaucoma cell model. Expected: similar to atenolol (Jaccard=0.24) trifluoperazine thymus_cancer GAP_HIGH 0.0949 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in thymus_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) mequitazine sarcoma GAP_HIGH 0.0949 0.21052631578947367 promazine High-priority: Binding assay mequitazine→?; validate in sarcoma cell model. Expected: similar to promazine (Jaccard=0.21) meclizine prostate_cancer GAP_HIGH 0.0949 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in prostate_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) loxapine penile_cancer GAP_HIGH 0.0949 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) mequitazine refractive_error GAP_HIGH 0.0949 0.16666666666666666 metaraminol High-priority: Binding assay mequitazine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.17) masoprocol prostate_cancer SPECULATIVE 0.0949 0.15 etoricoxib Speculative: Review masoprocol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. tiaprofenic_acid esophageal_cancer SPECULATIVE 0.0949 0.15 melphalan Speculative: Review tiaprofenic_acid off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. doxorubicin coronary_artery_disease SPECULATIVE 0.0949 0.14285714285714285 moexipril Speculative: Review doxorubicin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. temazepam head_and_neck_cancer SPECULATIVE 0.0949 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. temazepam malignant_glioma SPECULATIVE 0.0949 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. buclizine membranous_glomerulonephritis SPECULATIVE 0.0949 0.1388888888888889 naftifine Speculative: Review buclizine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. fulvestrant epilepsy_syndrome SPECULATIVE 0.0949 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. indecainide brain_cancer SPECULATIVE 0.0949 0.125 alendronate Speculative: Review indecainide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. indecainide intracranial_aneurysm SPECULATIVE 0.0949 0.125 alendronate Speculative: Review indecainide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vismodegib penile_cancer SPECULATIVE 0.0949 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. pazopanib chronic_kidney_failure SPECULATIVE 0.0949 0.11538461538461539 acetylsalicylic_acid Speculative: Review pazopanib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. clonidine esophageal_cancer SPECULATIVE 0.0949 0.1111111111111111 melphalan Speculative: Review clonidine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. trandolapril crohns_disease SPECULATIVE 0.0949 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. lapatinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0949 0.1 dexamethasone Speculative: Review lapatinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. methamphetamine brain_cancer SPECULATIVE 0.0949 0.1 histamine_phosphate Speculative: Review methamphetamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. adenine refractive_error SPECULATIVE 0.0949 0.08333333333333333 chlorphenesin Speculative: Review adenine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. hydrocortisone gestational_diabetes SPECULATIVE 0.0949 0.08108108108108109 bezafibrate Speculative: Review hydrocortisone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. nitrazepam type_1_diabetes_mellitus SPECULATIVE 0.0949 0.07692307692307693 glisoxepide Speculative: Review nitrazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. oxazepam kidney_cancer SPECULATIVE 0.0949 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. meclizine alcohol_dependence SPECULATIVE 0.0949 0.07272727272727272 mazindol Speculative: Review meclizine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. adenosine_monophosphate esophageal_cancer SPECULATIVE 0.0949 0.06666666666666667 gemcitabine Speculative: Review adenosine_monophosphate off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. salbutamol prostate_cancer SPECULATIVE 0.0949 0.0625 ifenprodil Speculative: Review salbutamol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. alprazolam idiopathic_pulmonary_fibrosis SPECULATIVE 0.0949 0.05555555555555555 anisotropine_methylbromide Speculative: Review alprazolam off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. calcipotriol prostate_cancer SPECULATIVE 0.0949 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. alfacalcidol coronary_artery_disease SPECULATIVE 0.0949 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. alfacalcidol narcolepsy SPECULATIVE 0.0949 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. ribavirin type_1_diabetes_mellitus SPECULATIVE 0.0949 0.034482758620689655 droxidopa Speculative: Review ribavirin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. milnacipran glaucoma SPECULATIVE 0.0949 0.03225806451612903 l-serine Speculative: Review milnacipran off-target effects vs glaucoma mechanism. Phenotypic screen recommended. benzocaine alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review benzocaine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cytarabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0949 0.0 loxapine Speculative: Review cytarabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. dobutamine alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lenalidomide alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mephentermine alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review mephentermine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. nelarabine alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review nelarabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. tenofovir alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. thalidomide gilles_de_la_tourette_syndrome SPECULATIVE 0.0949 0.0 loxapine Speculative: Review thalidomide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. theophylline meningioma SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs meningioma mechanism. Phenotypic screen recommended. zolpidem alopecia_areata SPECULATIVE 0.0949 0.0 hydrocortisone Speculative: Review zolpidem off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fentanyl duodenum_cancer GAP_HIGH 0.0948 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in duodenum_cancer cell model. Expected: similar to benzatropine (Jaccard=0.24) fentanyl gallbladder_cancer GAP_HIGH 0.0948 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in gallbladder_cancer cell model. Expected: similar to benzatropine (Jaccard=0.24) ethopropazine germ_cell_cancer GAP_HIGH 0.0948 0.2222222222222222 tamoxifen High-priority: Binding assay ethopropazine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) tiaprofenic_acid prostate_cancer GAP_HIGH 0.0948 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) erlotinib obesity GAP_HIGH 0.0948 0.17647058823529413 lidocaine High-priority: Binding assay erlotinib→?; validate in obesity cell model. Expected: similar to lidocaine (Jaccard=0.18) bevantolol liver_cancer SPECULATIVE 0.0948 0.14705882352941177 naftifine Speculative: Review bevantolol off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. menadione melanoma SPECULATIVE 0.0948 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs melanoma mechanism. Phenotypic screen recommended. methylprednisolone parkinsons_disease SPECULATIVE 0.0948 0.14285714285714285 dextromethorphan Speculative: Review methylprednisolone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. temazepam kidney_cancer SPECULATIVE 0.0948 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phentermine kidney_cancer SPECULATIVE 0.0948 0.125 acetaminophen Speculative: Review phentermine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. teniposide atopic_dermatitis SPECULATIVE 0.0948 0.125 thioridazine Speculative: Review teniposide off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. atropine nephrolithiasis SPECULATIVE 0.0948 0.11764705882352941 oxybuprocaine Speculative: Review atropine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. lisinopril pharynx_cancer SPECULATIVE 0.0948 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. ramipril ulcerative_colitis SPECULATIVE 0.0948 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. ethynodiol alzheimers_disease SPECULATIVE 0.0948 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. cinnarizine type_1_diabetes_mellitus SPECULATIVE 0.0948 0.1 tolbutamide Speculative: Review cinnarizine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. metoclopramide malaria SPECULATIVE 0.0948 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs malaria mechanism. Phenotypic screen recommended. anisotropine_methylbromide hematologic_cancer SPECULATIVE 0.0948 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate alcohol_dependence SPECULATIVE 0.0948 0.07692307692307693 naloxone Speculative: Review fluticasone_propionate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. oxazepam nephrolithiasis SPECULATIVE 0.0948 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. flurbiprofen acquired_immunodeficiency_syndrome SPECULATIVE 0.0948 0.0625 mitiglinide Speculative: Review flurbiprofen off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ribavirin idiopathic_pulmonary_fibrosis SPECULATIVE 0.0948 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. salbutamol nephrolithiasis SPECULATIVE 0.0948 0.043478260869565216 cinchocaine Speculative: Review salbutamol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. etidronic_acid alcohol_dependence SPECULATIVE 0.0948 0.02564102564102564 mazindol Speculative: Review etidronic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-glutamine chronic_kidney_failure SPECULATIVE 0.0948 0.02197802197802198 trimipramine Speculative: Review l-glutamine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. acetophenazine leprosy SPECULATIVE 0.0948 0.0 sulfapyridine Speculative: Review acetophenazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. alfacalcidol malaria SPECULATIVE 0.0948 0.0 ethotoin Speculative: Review alfacalcidol off-target effects vs malaria mechanism. Phenotypic screen recommended. anileridine dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review anileridine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. anisotropine_methylbromide dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. bepotastine dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review bepotastine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. bimatoprost kidney_cancer SPECULATIVE 0.0948 0.0 oxybuprocaine Speculative: Review bimatoprost off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. bimatoprost nephrolithiasis SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review bimatoprost off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. butenafine leprosy SPECULATIVE 0.0948 0.0 sulfapyridine Speculative: Review butenafine off-target effects vs leprosy mechanism. Phenotypic screen recommended. calcidiol malaria SPECULATIVE 0.0948 0.0 ethotoin Speculative: Review calcidiol off-target effects vs malaria mechanism. Phenotypic screen recommended. calcipotriol malaria SPECULATIVE 0.0948 0.0 ethotoin Speculative: Review calcipotriol off-target effects vs malaria mechanism. Phenotypic screen recommended. ceruletide malaria SPECULATIVE 0.0948 0.0 ethotoin Speculative: Review ceruletide off-target effects vs malaria mechanism. Phenotypic screen recommended. cladribine dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review cladribine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cytarabine type_1_diabetes_mellitus SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. emtricitabine refractive_error SPECULATIVE 0.0948 0.0 pirbuterol Speculative: Review emtricitabine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide refractive_error SPECULATIVE 0.0948 0.0 pirbuterol Speculative: Review flavin_adenine_dinucleotide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. floxuridine dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review floxuridine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. indomethacin membranous_glomerulonephritis SPECULATIVE 0.0948 0.0 methdilazine Speculative: Review indomethacin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. ketoprofen dilated_cardiomyopathy SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review ketoprofen off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. l-histidine leprosy SPECULATIVE 0.0948 0.0 sulfapyridine Speculative: Review l-histidine off-target effects vs leprosy mechanism. Phenotypic screen recommended. lamivudine leprosy SPECULATIVE 0.0948 0.0 sulfapyridine Speculative: Review lamivudine off-target effects vs leprosy mechanism. Phenotypic screen recommended. vinblastine leprosy SPECULATIVE 0.0948 0.0 sulfapyridine Speculative: Review vinblastine off-target effects vs leprosy mechanism. Phenotypic screen recommended. vorinostat type_1_diabetes_mellitus SPECULATIVE 0.0948 0.0 hydrocortisone Speculative: Review vorinostat off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. phenytoin meningioma GAP_HIGH 0.0947 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.22) acetylsalicylic_acid rheumatoid_arthritis GAP_HIGH 0.0947 0.2 salicylic_acid High-priority: Binding assay acetylsalicylic_acid→?; validate in rheumatoid_arthritis cell model. Expected: similar to salicylic_acid (Jaccard=0.20) meclizine mediastinal_cancer GAP_HIGH 0.0947 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in mediastinal_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) mequitazine celiac_disease GAP_HIGH 0.0947 0.16666666666666666 atropine High-priority: Binding assay mequitazine→?; validate in celiac_disease cell model. Expected: similar to atropine (Jaccard=0.17) cabazitaxel systemic_scleroderma SPECULATIVE 0.0947 0.14285714285714285 pantoprazole Speculative: Review cabazitaxel off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. fluorometholone creutzfeldt-jakob_disease SPECULATIVE 0.0947 0.14285714285714285 dextromethorphan Speculative: Review fluorometholone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. methylprednisolone autistic_disorder SPECULATIVE 0.0947 0.14285714285714285 dextromethorphan Speculative: Review methylprednisolone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. temazepam nephrolithiasis SPECULATIVE 0.0947 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ketoprofen pancreatitis SPECULATIVE 0.0947 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. meclizine atherosclerosis SPECULATIVE 0.0947 0.12121212121212122 phenelzine Speculative: Review meclizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. mitiglinide chronic_kidney_failure SPECULATIVE 0.0947 0.11764705882352941 tiaprofenic_acid Speculative: Review mitiglinide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. vismodegib malignant_mesothelioma SPECULATIVE 0.0947 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. clofedanol alcohol_dependence SPECULATIVE 0.0947 0.11428571428571428 levorphanol Speculative: Review clofedanol off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. modafinil alcohol_dependence SPECULATIVE 0.0947 0.11428571428571428 ethylmorphine Speculative: Review modafinil off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. ethynodiol autistic_disorder SPECULATIVE 0.0947 0.1111111111111111 bifonazole Speculative: Review ethynodiol off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. ethynodiol nicotine_dependence SPECULATIVE 0.0947 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. phenindamine glaucoma SPECULATIVE 0.0947 0.1 practolol Speculative: Review phenindamine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. lisinopril chronic_kidney_failure SPECULATIVE 0.0947 0.08695652173913043 trimipramine Speculative: Review lisinopril off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. cyproterone_acetate azoospermia SPECULATIVE 0.0947 0.08333333333333333 aprindine Speculative: Review cyproterone_acetate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. nitrazepam kidney_cancer SPECULATIVE 0.0947 0.08333333333333333 sulfamethizole Speculative: Review nitrazepam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. arbutamine gilles_de_la_tourette_syndrome SPECULATIVE 0.0947 0.06976744186046512 mazindol Speculative: Review arbutamine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. propafenone lymphatic_system_cancer SPECULATIVE 0.0947 0.06896551724137931 riboflavin Speculative: Review propafenone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. furosemide sclerosing_cholangitis SPECULATIVE 0.0947 0.06666666666666667 suprofen Speculative: Review furosemide off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. arbutamine alopecia_areata SPECULATIVE 0.0947 0.0625 estrone Speculative: Review arbutamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. azacitidine hypertension SPECULATIVE 0.0947 0.0625 pitavastatin Speculative: Review azacitidine off-target effects vs hypertension mechanism. Phenotypic screen recommended. adenosine_triphosphate type_1_diabetes_mellitus SPECULATIVE 0.0947 0.058823529411764705 tioguanine Speculative: Review adenosine_triphosphate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. doxepin alcohol_dependence SPECULATIVE 0.0947 0.058823529411764705 temazepam Speculative: Review doxepin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. dihydrotachysterol prostate_cancer SPECULATIVE 0.0947 0.043478260869565216 drostanolone Speculative: Review dihydrotachysterol off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. masoprocol dilated_cardiomyopathy SPECULATIVE 0.0947 0.041666666666666664 medrysone Speculative: Review masoprocol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fluocinonide leprosy SPECULATIVE 0.0947 0.03333333333333333 sulfapyridine Speculative: Review fluocinonide off-target effects vs leprosy mechanism. Phenotypic screen recommended. imipramine malaria SPECULATIVE 0.0947 0.022222222222222223 phensuximide Speculative: Review imipramine off-target effects vs malaria mechanism. Phenotypic screen recommended. clomipramine urinary_bladder_cancer GAP_HIGH 0.0946 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in urinary_bladder_cancer cell model. Expected: similar to phenytoin (Jaccard=0.25) thioproperazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0946 0.23529411764705882 azatadine High-priority: Binding assay thioproperazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.24) nateglinide lung_cancer GAP_HIGH 0.0946 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in lung_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) nateglinide rectum_cancer GAP_HIGH 0.0946 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in rectum_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) carbinoxamine melanoma GAP_HIGH 0.0946 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in melanoma cell model. Expected: similar to trimipramine (Jaccard=0.19) meclizine thymus_cancer GAP_HIGH 0.0946 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in thymus_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) tiaprofenic_acid mediastinal_cancer GAP_HIGH 0.0946 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) acetylsalicylic_acid salivary_gland_cancer GAP_HIGH 0.0946 0.18181818181818182 clonidine High-priority: Binding assay acetylsalicylic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.18) tiaprofenic_acid hepatitis_b SPECULATIVE 0.0946 0.13333333333333333 alvimopan Speculative: Review tiaprofenic_acid off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. butenafine melanoma SPECULATIVE 0.0946 0.125 reboxetine Speculative: Review butenafine off-target effects vs melanoma mechanism. Phenotypic screen recommended. clocortolone atherosclerosis SPECULATIVE 0.0946 0.125 floctafenine Speculative: Review clocortolone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. difluprednate atherosclerosis SPECULATIVE 0.0946 0.125 floctafenine Speculative: Review difluprednate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phenelzine focal_segmental_glomerulosclerosis SPECULATIVE 0.0946 0.125 metolazone Speculative: Review phenelzine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. teniposide psoriasis SPECULATIVE 0.0946 0.125 thioridazine Speculative: Review teniposide off-target effects vs psoriasis mechanism. Phenotypic screen recommended. trandolapril pancreatitis SPECULATIVE 0.0946 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. crizotinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0946 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. sorafenib larynx_cancer SPECULATIVE 0.0946 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. afatinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0946 0.1 doxycycline Speculative: Review afatinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. docetaxel brain_cancer SPECULATIVE 0.0946 0.1 cyproterone_acetate Speculative: Review docetaxel off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lapatinib gout SPECULATIVE 0.0946 0.1 dexamethasone Speculative: Review lapatinib off-target effects vs gout mechanism. Phenotypic screen recommended. enalapril peripheral_nervous_system_neoplasm SPECULATIVE 0.0946 0.08333333333333333 irinotecan Speculative: Review enalapril off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. enalapril urinary_bladder_cancer SPECULATIVE 0.0946 0.08333333333333333 irinotecan Speculative: Review enalapril off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. trandolapril alopecia_areata SPECULATIVE 0.0946 0.07142857142857142 dexamethasone Speculative: Review trandolapril off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. beclomethasone gestational_diabetes SPECULATIVE 0.0946 0.06666666666666667 bezafibrate Speculative: Review beclomethasone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. atomoxetine alcohol_dependence SPECULATIVE 0.0946 0.05555555555555555 temazepam Speculative: Review atomoxetine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcipotriol meningioma SPECULATIVE 0.0946 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs meningioma mechanism. Phenotypic screen recommended. cyproheptadine hepatitis_b SPECULATIVE 0.0946 0.0392156862745098 s-adenosylmethionine Speculative: Review cyproheptadine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. methotrimeprazine leprosy SPECULATIVE 0.0946 0.02040816326530612 phensuximide Speculative: Review methotrimeprazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. calcitriol larynx_cancer SPECULATIVE 0.0946 0.0 vinblastine Speculative: Review calcitriol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. hydrochlorothiazide larynx_cancer SPECULATIVE 0.0946 0.0 vinblastine Speculative: Review hydrochlorothiazide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. remifentanil larynx_cancer SPECULATIVE 0.0946 0.0 vinblastine Speculative: Review remifentanil off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. telmisartan larynx_cancer SPECULATIVE 0.0946 0.0 vinblastine Speculative: Review telmisartan off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. theophylline crohns_disease SPECULATIVE 0.0946 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. tropicamide larynx_cancer SPECULATIVE 0.0946 0.0 vinblastine Speculative: Review tropicamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mazindol ocular_cancer GAP_HIGH 0.0945 0.2 polythiazide High-priority: Binding assay mazindol→?; validate in ocular_cancer cell model. Expected: similar to polythiazide (Jaccard=0.20) tiaprofenic_acid thymus_cancer GAP_HIGH 0.0945 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) nortriptyline malignant_mesothelioma SPECULATIVE 0.0945 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. bethanidine membranous_glomerulonephritis SPECULATIVE 0.0945 0.125 mitiglinide Speculative: Review bethanidine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. epirubicin amyotrophic_lateral_sclerosis SPECULATIVE 0.0945 0.125 butenafine Speculative: Review epirubicin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. menadione germ_cell_cancer SPECULATIVE 0.0945 0.125 capecitabine Speculative: Review menadione off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. mitiglinide germ_cell_cancer SPECULATIVE 0.0945 0.125 melphalan Speculative: Review mitiglinide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. teniposide osteoporosis SPECULATIVE 0.0945 0.125 thioridazine Speculative: Review teniposide off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. topotecan epilepsy_syndrome SPECULATIVE 0.0945 0.125 doxapram Speculative: Review topotecan off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. trandolapril salivary_gland_cancer SPECULATIVE 0.0945 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. eplerenone refractive_error SPECULATIVE 0.0945 0.1111111111111111 dinoprost_tromethamine Speculative: Review eplerenone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. tranylcypromine pharynx_cancer SPECULATIVE 0.0945 0.1111111111111111 nateglinide Speculative: Review tranylcypromine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. loteprednol malaria SPECULATIVE 0.0945 0.09090909090909091 sulfanilamide Speculative: Review loteprednol off-target effects vs malaria mechanism. Phenotypic screen recommended. menadione hepatitis_b SPECULATIVE 0.0945 0.09090909090909091 trifluridine Speculative: Review menadione off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. topotecan focal_segmental_glomerulosclerosis SPECULATIVE 0.0945 0.09090909090909091 moricizine Speculative: Review topotecan off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. antazoline larynx_cancer SPECULATIVE 0.0945 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. calcipotriol multiple_sclerosis SPECULATIVE 0.0945 0.0625 anileridine Speculative: Review calcipotriol off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. anisotropine_methylbromide kidney_cancer SPECULATIVE 0.0945 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. sulfaphenazole larynx_cancer SPECULATIVE 0.0945 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diclofenac esophageal_cancer SPECULATIVE 0.0945 0.05263157894736842 doxorubicin Speculative: Review diclofenac off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol meningioma SPECULATIVE 0.0945 0.04 fentanyl Speculative: Review dihydrotachysterol off-target effects vs meningioma mechanism. Phenotypic screen recommended. bevantolol acquired_immunodeficiency_syndrome SPECULATIVE 0.0945 0.037037037037037035 lisinopril Speculative: Review bevantolol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. amoxapine acquired_immunodeficiency_syndrome SPECULATIVE 0.0945 0.0 mitiglinide Speculative: Review amoxapine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. emtricitabine chronic_kidney_failure SPECULATIVE 0.0945 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. felypressin germ_cell_cancer SPECULATIVE 0.0945 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide chronic_kidney_failure SPECULATIVE 0.0945 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. halazepam germ_cell_cancer SPECULATIVE 0.0945 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. pasireotide germ_cell_cancer SPECULATIVE 0.0945 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. treprostinil germ_cell_cancer SPECULATIVE 0.0945 0.0 hydrocortisone Speculative: Review treprostinil off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. clotrimazole liver_cancer GAP_HIGH 0.0944 0.2 naftifine High-priority: Binding assay clotrimazole→?; validate in liver_cancer cell model. Expected: similar to naftifine (Jaccard=0.20) ethopropazine glaucoma GAP_HIGH 0.0944 0.2 metaraminol High-priority: Binding assay ethopropazine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.20) trimipramine esophageal_cancer GAP_HIGH 0.0944 0.2 tamoxifen High-priority: Binding assay trimipramine→?; validate in esophageal_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) meclizine coronary_artery_disease GAP_HIGH 0.0944 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in coronary_artery_disease cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) propiomazine penile_cancer GAP_HIGH 0.0944 0.15789473684210525 fentanyl High-priority: Binding assay propiomazine→?; validate in penile_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) sunitinib asthma GAP_HIGH 0.0944 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in asthma cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) raloxifene gout SPECULATIVE 0.0944 0.14285714285714285 melatonin Speculative: Review raloxifene off-target effects vs gout mechanism. Phenotypic screen recommended. phentermine chronic_kidney_failure SPECULATIVE 0.0944 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. ramipril systemic_lupus_erythematosus SPECULATIVE 0.0944 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. ethynodiol attention_deficit_hyperactivity_disorder SPECULATIVE 0.0944 0.1111111111111111 bifonazole Speculative: Review ethynodiol off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. flurandrenolide glaucoma SPECULATIVE 0.0944 0.1111111111111111 succinylcholine Speculative: Review flurandrenolide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. l-histidine celiac_disease SPECULATIVE 0.0944 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. lapatinib hematologic_cancer SPECULATIVE 0.0944 0.1 megestrol_acetate Speculative: Review lapatinib off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. topotecan gilles_de_la_tourette_syndrome SPECULATIVE 0.0944 0.09090909090909091 moricizine Speculative: Review topotecan off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ethynodiol azoospermia SPECULATIVE 0.0944 0.08695652173913043 acetylsalicylic_acid Speculative: Review ethynodiol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. levonordefrin lymphatic_system_cancer SPECULATIVE 0.0944 0.07692307692307693 streptozocin Speculative: Review levonordefrin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. epirubicin atherosclerosis SPECULATIVE 0.0944 0.0625 pargyline Speculative: Review epirubicin off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. olsalazine alcohol_dependence SPECULATIVE 0.0944 0.0625 naloxone Speculative: Review olsalazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. clonazepam salivary_gland_cancer SPECULATIVE 0.0944 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. clofarabine crohns_disease SPECULATIVE 0.0944 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. sulfaphenazole hepatitis_b SPECULATIVE 0.0944 0.05555555555555555 trandolapril Speculative: Review sulfaphenazole off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. dihydrotachysterol pharynx_cancer SPECULATIVE 0.0944 0.05 droxidopa Speculative: Review dihydrotachysterol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. calcidiol melanoma SPECULATIVE 0.0944 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs melanoma mechanism. Phenotypic screen recommended. imatinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0944 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. floxuridine atherosclerosis SPECULATIVE 0.0944 0.034482758620689655 acetylsalicylic_acid Speculative: Review floxuridine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. clobazam bone_cancer SPECULATIVE 0.0944 0.0 ibandronate Speculative: Review clobazam off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. clobazam gestational_diabetes SPECULATIVE 0.0944 0.0 tolazamide Speculative: Review clobazam off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cytarabine glaucoma SPECULATIVE 0.0944 0.0 pirbuterol Speculative: Review cytarabine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. eplerenone leprosy SPECULATIVE 0.0944 0.0 sulfapyridine Speculative: Review eplerenone off-target effects vs leprosy mechanism. Phenotypic screen recommended. ethynodiol bone_cancer SPECULATIVE 0.0944 0.0 ibandronate Speculative: Review ethynodiol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fulvestrant gestational_diabetes SPECULATIVE 0.0944 0.0 tolazamide Speculative: Review fulvestrant off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lacosamide leprosy SPECULATIVE 0.0944 0.0 sulfapyridine Speculative: Review lacosamide off-target effects vs leprosy mechanism. Phenotypic screen recommended. mestranol bone_cancer SPECULATIVE 0.0944 0.0 ibandronate Speculative: Review mestranol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mestranol gestational_diabetes SPECULATIVE 0.0944 0.0 tolazamide Speculative: Review mestranol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. propafenone bone_cancer SPECULATIVE 0.0944 0.0 ibandronate Speculative: Review propafenone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. suprofen bone_cancer SPECULATIVE 0.0944 0.0 ibandronate Speculative: Review suprofen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. acetylsalicylic_acid ocular_cancer GAP_HIGH 0.0943 0.18181818181818182 clonidine High-priority: Binding assay acetylsalicylic_acid→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.18) dexamethasone coronary_artery_disease GAP_HIGH 0.0943 0.18181818181818182 naloxone High-priority: Binding assay dexamethasone→?; validate in coronary_artery_disease cell model. Expected: similar to naloxone (Jaccard=0.18) dexamethasone crohns_disease GAP_HIGH 0.0943 0.17647058823529413 betamethasone High-priority: Binding assay dexamethasone→?; validate in crohns_disease cell model. Expected: similar to betamethasone (Jaccard=0.18) trimipramine malaria GAP_HIGH 0.0943 0.16666666666666666 modafinil High-priority: Binding assay trimipramine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.17) acetylsalicylic_acid meningioma GAP_HIGH 0.0943 0.16 afatinib High-priority: Binding assay acetylsalicylic_acid→?; validate in meningioma cell model. Expected: similar to afatinib (Jaccard=0.16) sunitinib breast_cancer GAP_HIGH 0.0943 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in breast_cancer cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) fulvestrant parkinsons_disease SPECULATIVE 0.0943 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. loteprednol membranous_glomerulonephritis SPECULATIVE 0.0943 0.125 calcitriol Speculative: Review loteprednol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lisinopril pancreatitis SPECULATIVE 0.0943 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. trandolapril rectum_cancer SPECULATIVE 0.0943 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. lapatinib nicotine_dependence SPECULATIVE 0.0943 0.1111111111111111 naloxone Speculative: Review lapatinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. nitrazepam thyroid_cancer SPECULATIVE 0.0943 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. ramipril liver_cancer SPECULATIVE 0.0943 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. amoxapine germ_cell_cancer SPECULATIVE 0.0943 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fulvestrant focal_segmental_glomerulosclerosis SPECULATIVE 0.0943 0.08333333333333333 calcitriol Speculative: Review fulvestrant off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. afatinib head_and_neck_cancer SPECULATIVE 0.0943 0.07692307692307693 irinotecan Speculative: Review afatinib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. afatinib malignant_glioma SPECULATIVE 0.0943 0.07692307692307693 irinotecan Speculative: Review afatinib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cladribine crohns_disease SPECULATIVE 0.0943 0.07692307692307693 tioguanine Speculative: Review cladribine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. s-adenosylmethionine germ_cell_cancer SPECULATIVE 0.0943 0.07692307692307693 gemcitabine Speculative: Review s-adenosylmethionine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. teniposide alopecia_areata SPECULATIVE 0.0943 0.07692307692307693 eplerenone Speculative: Review teniposide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. diphemanil_methylsulfate dilated_cardiomyopathy SPECULATIVE 0.0943 0.07407407407407407 hydrocortisone Speculative: Review diphemanil_methylsulfate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ketoprofen larynx_cancer SPECULATIVE 0.0943 0.06666666666666667 doxorubicin Speculative: Review ketoprofen off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate larynx_cancer SPECULATIVE 0.0943 0.05 epirubicin Speculative: Review adenosine_monophosphate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. acepromazine gilles_de_la_tourette_syndrome GAP_HIGH 0.0942 0.16666666666666666 methotrimeprazine High-priority: Binding assay acepromazine→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to methotrimeprazine (Jaccard=0.17) sunitinib allergic_rhinitis GAP_HIGH 0.0942 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in allergic_rhinitis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) mefenamic_acid idiopathic_pulmonary_fibrosis SPECULATIVE 0.0942 0.15 tiaprofenic_acid Speculative: Review mefenamic_acid off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. raloxifene coronary_artery_disease SPECULATIVE 0.0942 0.14285714285714285 melatonin Speculative: Review raloxifene off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. fulvestrant amyotrophic_lateral_sclerosis SPECULATIVE 0.0942 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. fulvestrant autistic_disorder SPECULATIVE 0.0942 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. lisinopril salivary_gland_cancer SPECULATIVE 0.0942 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. ramipril skin_cancer SPECULATIVE 0.0942 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs skin_cancer mechanism. Phenotypic screen recommended. trandolapril ocular_cancer SPECULATIVE 0.0942 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. ethynodiol panic_disorder SPECULATIVE 0.0942 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. doxorubicin glaucoma SPECULATIVE 0.0942 0.10714285714285714 pseudoephedrine Speculative: Review doxorubicin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. trandolapril gout SPECULATIVE 0.0942 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs gout mechanism. Phenotypic screen recommended. alverine glaucoma SPECULATIVE 0.0942 0.1 decamethonium Speculative: Review alverine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. nitrazepam idiopathic_pulmonary_fibrosis SPECULATIVE 0.0942 0.1 theophylline Speculative: Review nitrazepam off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. megestrol_acetate atherosclerosis SPECULATIVE 0.0942 0.09090909090909091 acetylsalicylic_acid Speculative: Review megestrol_acetate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pentostatin restless_legs_syndrome SPECULATIVE 0.0942 0.0625 chloroprocaine Speculative: Review pentostatin off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. clonazepam ocular_cancer SPECULATIVE 0.0942 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. phenformin focal_segmental_glomerulosclerosis SPECULATIVE 0.0942 0.05714285714285714 fenoprofen Speculative: Review phenformin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alitretinoin crohns_disease SPECULATIVE 0.0942 0.05 estradiol Speculative: Review alitretinoin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. adenosine_monophosphate malaria SPECULATIVE 0.0942 0.031578947368421054 phensuximide Speculative: Review adenosine_monophosphate off-target effects vs malaria mechanism. Phenotypic screen recommended. perphenazine leprosy SPECULATIVE 0.0942 0.02040816326530612 phensuximide Speculative: Review perphenazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. alprazolam lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review alprazolam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. aspartame alcohol_dependence SPECULATIVE 0.0942 0.0 midazolam Speculative: Review aspartame off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. azacitidine atherosclerosis SPECULATIVE 0.0942 0.0 fenoprofen Speculative: Review azacitidine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. codeine intracranial_aneurysm SPECULATIVE 0.0942 0.0 hydrocortisone Speculative: Review codeine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cytarabine brain_cancer SPECULATIVE 0.0942 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cytarabine intracranial_aneurysm SPECULATIVE 0.0942 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diclofenamide lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review diclofenamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. droperidol lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review droperidol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. floctafenine alcohol_dependence SPECULATIVE 0.0942 0.0 midazolam Speculative: Review floctafenine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. fluspirilene lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review fluspirilene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. furosemide lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review furosemide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. metolazone lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review metolazone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nandrolone_phenpropionate atherosclerosis SPECULATIVE 0.0942 0.0 fenoprofen Speculative: Review nandrolone_phenpropionate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. nandrolone_phenpropionate lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review nandrolone_phenpropionate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. regadenoson atherosclerosis SPECULATIVE 0.0942 0.0 fenoprofen Speculative: Review regadenoson off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. stanozolol atherosclerosis SPECULATIVE 0.0942 0.0 fenoprofen Speculative: Review stanozolol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. stanozolol lymphatic_system_cancer SPECULATIVE 0.0942 0.0 vinblastine Speculative: Review stanozolol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. theophylline prostate_cancer SPECULATIVE 0.0942 0.0 phenylbutazone Speculative: Review theophylline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. zafirlukast brain_cancer SPECULATIVE 0.0942 0.0 hydrocortisone Speculative: Review zafirlukast off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fenoprofen larynx_cancer GAP_HIGH 0.0941 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in larynx_cancer cell model. Expected: similar to procarbazine (Jaccard=0.21) methotrexate atopic_dermatitis GAP_HIGH 0.0941 0.16666666666666666 sirolimus High-priority: Binding assay methotrexate→?; validate in atopic_dermatitis cell model. Expected: similar to sirolimus (Jaccard=0.17) dexamethasone kidney_cancer GAP_HIGH 0.0941 0.15384615384615385 spironolactone High-priority: Binding assay dexamethasone→?; validate in kidney_cancer cell model. Expected: similar to spironolactone (Jaccard=0.15) flurandrenolide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0941 0.14285714285714285 floctafenine Speculative: Review flurandrenolide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. gemcitabine atopic_dermatitis SPECULATIVE 0.0941 0.14285714285714285 sirolimus Speculative: Review gemcitabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. indecainide head_and_neck_cancer SPECULATIVE 0.0941 0.125 alendronate Speculative: Review indecainide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. indecainide malignant_glioma SPECULATIVE 0.0941 0.125 alendronate Speculative: Review indecainide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. sorafenib glaucoma SPECULATIVE 0.0941 0.125 dinoprost_tromethamine Speculative: Review sorafenib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ramipril vaginal_cancer SPECULATIVE 0.0941 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. ramipril vulva_cancer SPECULATIVE 0.0941 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. vismodegib meningioma SPECULATIVE 0.0941 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs meningioma mechanism. Phenotypic screen recommended. ethynodiol conduct_disorder SPECULATIVE 0.0941 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. ethynodiol schizophrenia SPECULATIVE 0.0941 0.1111111111111111 bifonazole Speculative: Review ethynodiol off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. prednisolone focal_segmental_glomerulosclerosis SPECULATIVE 0.0941 0.1111111111111111 calcitriol Speculative: Review prednisolone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ramipril peripheral_nervous_system_neoplasm SPECULATIVE 0.0941 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. ramipril urinary_bladder_cancer SPECULATIVE 0.0941 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. bethanidine gilles_de_la_tourette_syndrome SPECULATIVE 0.0941 0.10526315789473684 meclizine Speculative: Review bethanidine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. midazolam azoospermia SPECULATIVE 0.0941 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs azoospermia mechanism. Phenotypic screen recommended. fentanyl alcohol_dependence SPECULATIVE 0.0941 0.1 ethylmorphine Speculative: Review fentanyl off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. floxuridine psoriasis SPECULATIVE 0.0941 0.1 tetrahydrofolic_acid Speculative: Review floxuridine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. propafenone type_1_diabetes_mellitus SPECULATIVE 0.0941 0.1 lisinopril Speculative: Review propafenone off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. ketoprofen kidney_cancer SPECULATIVE 0.0941 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine glaucoma SPECULATIVE 0.0941 0.08333333333333333 metaraminol Speculative: Review phenoxybenzamine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. dextroamphetamine larynx_cancer SPECULATIVE 0.0941 0.07692307692307693 epirubicin Speculative: Review dextroamphetamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pemetrexed parkinsons_disease SPECULATIVE 0.0941 0.07692307692307693 olsalazine Speculative: Review pemetrexed off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. azacitidine metabolic_syndrome_x SPECULATIVE 0.0941 0.0625 pitavastatin Speculative: Review azacitidine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. menadione acquired_immunodeficiency_syndrome SPECULATIVE 0.0941 0.05263157894736842 floxuridine Speculative: Review menadione off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ethotoin primary_biliary_cirrhosis SPECULATIVE 0.0941 0.05128205128205128 bezafibrate Speculative: Review ethotoin off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. calcidiol lung_cancer SPECULATIVE 0.0941 0.05 drostanolone Speculative: Review calcidiol off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. calcidiol rectum_cancer SPECULATIVE 0.0941 0.05 drostanolone Speculative: Review calcidiol off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. alfacalcidol melanoma SPECULATIVE 0.0941 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs melanoma mechanism. Phenotypic screen recommended. prednicarbate gestational_diabetes SPECULATIVE 0.0941 0.038461538461538464 bezafibrate Speculative: Review prednicarbate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dexamethasone migraine GAP_HIGH 0.094 0.2 colchicine High-priority: Binding assay dexamethasone→?; validate in migraine cell model. Expected: similar to colchicine (Jaccard=0.20) fluticasone_propionate azoospermia GAP_HIGH 0.094 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in azoospermia cell model. Expected: similar to ospemifene (Jaccard=0.17) loxapine meningioma GAP_HIGH 0.094 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.17) sunitinib multiple_sclerosis GAP_HIGH 0.094 0.15384615384615385 acetylsalicylic_acid High-priority: Binding assay sunitinib→?; validate in multiple_sclerosis cell model. Expected: similar to acetylsalicylic_acid (Jaccard=0.15) diphemanil_methylsulfate type_1_diabetes_mellitus SPECULATIVE 0.094 0.13636363636363635 bromfenac Speculative: Review diphemanil_methylsulfate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. buclizine kidney_cancer SPECULATIVE 0.094 0.125 dapsone Speculative: Review buclizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. epirubicin atopic_dermatitis SPECULATIVE 0.094 0.125 butenafine Speculative: Review epirubicin off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. fulvestrant attention_deficit_hyperactivity_disorder SPECULATIVE 0.094 0.125 clotrimazole Speculative: Review fulvestrant off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. indecainide kidney_cancer SPECULATIVE 0.094 0.125 alendronate Speculative: Review indecainide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ramipril vascular_cancer SPECULATIVE 0.094 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. ethynodiol bipolar_disorder SPECULATIVE 0.094 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. bethanidine focal_segmental_glomerulosclerosis SPECULATIVE 0.094 0.10416666666666667 fenoprofen Speculative: Review bethanidine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alverine brain_cancer SPECULATIVE 0.094 0.1 levorphanol Speculative: Review alverine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ketoprofen nephrolithiasis SPECULATIVE 0.094 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. podofilox gilles_de_la_tourette_syndrome SPECULATIVE 0.094 0.09090909090909091 trifluoperazine Speculative: Review podofilox off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pemetrexed amyotrophic_lateral_sclerosis SPECULATIVE 0.094 0.07692307692307693 olsalazine Speculative: Review pemetrexed off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. lapatinib type_1_diabetes_mellitus SPECULATIVE 0.094 0.07142857142857142 vismodegib Speculative: Review lapatinib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fluocinonide gestational_diabetes SPECULATIVE 0.094 0.06666666666666667 bezafibrate Speculative: Review fluocinonide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. adenosine_triphosphate celiac_disease SPECULATIVE 0.094 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. calcipotriol osteoarthritis SPECULATIVE 0.094 0.0625 anileridine Speculative: Review calcipotriol off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. tretinoin attention_deficit_hyperactivity_disorder SPECULATIVE 0.094 0.0625 phenoxybenzamine Speculative: Review tretinoin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. loperamide leprosy SPECULATIVE 0.094 0.043478260869565216 menadione Speculative: Review loperamide off-target effects vs leprosy mechanism. Phenotypic screen recommended. l-histidine dilated_cardiomyopathy SPECULATIVE 0.094 0.041666666666666664 pefloxacin Speculative: Review l-histidine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vitamin_a hematologic_cancer SPECULATIVE 0.094 0.03125 ponatinib Speculative: Review vitamin_a off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. clotiazepam esophageal_cancer SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. ketazolam primary_biliary_cirrhosis SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review ketazolam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. lenalidomide esophageal_cancer SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. prazepam primary_biliary_cirrhosis SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review prazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. tenofovir esophageal_cancer SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. theophylline mediastinal_cancer SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. theophylline primary_biliary_cirrhosis SPECULATIVE 0.094 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. trifluoperazine melanoma GAP_HIGH 0.0939 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in melanoma cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) cyclopentolate penile_cancer GAP_HIGH 0.0939 0.16 methadone High-priority: Binding assay cyclopentolate→?; validate in penile_cancer cell model. Expected: similar to methadone (Jaccard=0.16) gemcitabine psoriasis SPECULATIVE 0.0939 0.14285714285714285 sirolimus Speculative: Review gemcitabine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. erlotinib chronic_kidney_failure SPECULATIVE 0.0939 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. indecainide nephrolithiasis SPECULATIVE 0.0939 0.125 alendronate Speculative: Review indecainide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. lisinopril ocular_cancer SPECULATIVE 0.0939 0.11764705882352941 doxorubicin Speculative: Review lisinopril off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. ethynodiol endogenous_depression SPECULATIVE 0.0939 0.1111111111111111 levorphanol Speculative: Review ethynodiol off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. tranylcypromine salivary_gland_cancer SPECULATIVE 0.0939 0.1111111111111111 nateglinide Speculative: Review tranylcypromine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. ramipril ankylosing_spondylitis SPECULATIVE 0.0939 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. prednisolone malaria SPECULATIVE 0.0939 0.08333333333333333 sulfanilamide Speculative: Review prednisolone off-target effects vs malaria mechanism. Phenotypic screen recommended. ramipril membranous_glomerulonephritis SPECULATIVE 0.0939 0.08333333333333333 alvimopan Speculative: Review ramipril off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. testosterone_propionate alcohol_dependence SPECULATIVE 0.0939 0.07692307692307693 levorphanol Speculative: Review testosterone_propionate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. butenafine malaria SPECULATIVE 0.0939 0.07407407407407407 modafinil Speculative: Review butenafine off-target effects vs malaria mechanism. Phenotypic screen recommended. anileridine refractive_error SPECULATIVE 0.0939 0.07142857142857142 metaraminol Speculative: Review anileridine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. chlorphenesin alzheimers_disease SPECULATIVE 0.0939 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. chlorphenesin parkinsons_disease SPECULATIVE 0.0939 0.07142857142857142 tolmetin Speculative: Review chlorphenesin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate chronic_kidney_failure SPECULATIVE 0.0939 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. diclofenac nephrolithiasis SPECULATIVE 0.0939 0.0625 spironolactone Speculative: Review diclofenac off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. s-adenosylmethionine type_1_diabetes_mellitus SPECULATIVE 0.0939 0.05357142857142857 sulpiride Speculative: Review s-adenosylmethionine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. alitretinoin narcolepsy SPECULATIVE 0.0939 0.05263157894736842 melphalan Speculative: Review alitretinoin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. difenoxin brain_cancer SPECULATIVE 0.0939 0.05263157894736842 estradiol_valeratedienogest Speculative: Review difenoxin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pemetrexed chronic_kidney_failure SPECULATIVE 0.0939 0.05263157894736842 acetylsalicylic_acid Speculative: Review pemetrexed off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. calcidiol liver_cancer SPECULATIVE 0.0939 0.05 drostanolone Speculative: Review calcidiol off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. pralatrexate chronic_kidney_failure SPECULATIVE 0.0939 0.043478260869565216 acetylsalicylic_acid Speculative: Review pralatrexate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. fentanyl leprosy SPECULATIVE 0.0939 0.04 phenmetrazine Speculative: Review fentanyl off-target effects vs leprosy mechanism. Phenotypic screen recommended. ethopropazine leprosy SPECULATIVE 0.0939 0.03773584905660377 phensuximide Speculative: Review ethopropazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. s-adenosylmethionine larynx_cancer SPECULATIVE 0.0939 0.03773584905660377 methotrexate Speculative: Review s-adenosylmethionine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. abacavir dilated_cardiomyopathy SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. aceprometazine leprosy SPECULATIVE 0.0939 0.0 sulfapyridine Speculative: Review aceprometazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. adinazolam hepatitis_b SPECULATIVE 0.0939 0.0 mitiglinide Speculative: Review adinazolam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. brompheniramine leprosy SPECULATIVE 0.0939 0.0 sulfapyridine Speculative: Review brompheniramine off-target effects vs leprosy mechanism. Phenotypic screen recommended. cinolazepam dilated_cardiomyopathy SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. diazepam dilated_cardiomyopathy SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review diazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. dyphylline gout SPECULATIVE 0.0939 0.0 methdilazine Speculative: Review dyphylline off-target effects vs gout mechanism. Phenotypic screen recommended. felypressin penile_cancer SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. paricalcitol hepatitis_b SPECULATIVE 0.0939 0.0 mitiglinide Speculative: Review paricalcitol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pasireotide penile_cancer SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. quinethazone dilated_cardiomyopathy SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review quinethazone off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. theophylline gout SPECULATIVE 0.0939 0.0 methdilazine Speculative: Review theophylline off-target effects vs gout mechanism. Phenotypic screen recommended. theophylline thymus_cancer SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. tranylcypromine dilated_cardiomyopathy SPECULATIVE 0.0939 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. voacamine leprosy SPECULATIVE 0.0939 0.0 sulfapyridine Speculative: Review voacamine off-target effects vs leprosy mechanism. Phenotypic screen recommended. nateglinide colon_cancer GAP_HIGH 0.0938 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in colon_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) reboxetine pharynx_cancer GAP_HIGH 0.0938 0.2 modafinil High-priority: Binding assay reboxetine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.20) trifluoperazine brain_cancer GAP_HIGH 0.0938 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in brain_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) trifluoperazine intracranial_aneurysm GAP_HIGH 0.0938 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in intracranial_aneurysm cell model. Expected: similar to alendronate (Jaccard=0.18) l-tyrosine membranous_glomerulonephritis GAP_HIGH 0.0938 0.18 fenoprofen High-priority: Binding assay l-tyrosine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.18) propericiazine celiac_disease GAP_HIGH 0.0938 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in celiac_disease cell model. Expected: similar to tioguanine (Jaccard=0.17) flurandrenolide schizophrenia SPECULATIVE 0.0938 0.14285714285714285 floctafenine Speculative: Review flurandrenolide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. methotrimeprazine atherosclerosis SPECULATIVE 0.0938 0.125 phentermine Speculative: Review methotrimeprazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. crizotinib amyotrophic_lateral_sclerosis SPECULATIVE 0.0938 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. epirubicin coronary_artery_disease SPECULATIVE 0.0938 0.1111111111111111 ethopropazine Speculative: Review epirubicin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. nitrazepam muscle_cancer SPECULATIVE 0.0938 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. vismodegib chronic_kidney_failure SPECULATIVE 0.0938 0.1 mefenamic_acid Speculative: Review vismodegib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. drospirenone alcohol_dependence SPECULATIVE 0.0938 0.09090909090909091 levorphanol Speculative: Review drospirenone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. prednicarbate atherosclerosis SPECULATIVE 0.0938 0.08333333333333333 salicylic_acid Speculative: Review prednicarbate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. eplerenone atherosclerosis SPECULATIVE 0.0938 0.07692307692307693 salicylic_acid Speculative: Review eplerenone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. gemcitabine malaria SPECULATIVE 0.0938 0.07692307692307693 caffeine Speculative: Review gemcitabine off-target effects vs malaria mechanism. Phenotypic screen recommended. chlorphenesin amyotrophic_lateral_sclerosis SPECULATIVE 0.0938 0.07142857142857142 tolmetin Speculative: Review chlorphenesin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. chlorphenesin autistic_disorder SPECULATIVE 0.0938 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. pseudoephedrine dilated_cardiomyopathy SPECULATIVE 0.0938 0.06666666666666667 drospirenone Speculative: Review pseudoephedrine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clonazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0938 0.06060606060606061 loperamide Speculative: Review clonazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. clodronate atherosclerosis SPECULATIVE 0.0938 0.058823529411764705 phenelzine Speculative: Review clodronate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate brain_cancer SPECULATIVE 0.0938 0.05714285714285714 methotrexate Speculative: Review adenosine_triphosphate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate intracranial_aneurysm SPECULATIVE 0.0938 0.05714285714285714 methotrexate Speculative: Review adenosine_triphosphate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. melphalan dilated_cardiomyopathy SPECULATIVE 0.0938 0.05555555555555555 trandolapril Speculative: Review melphalan off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. regadenoson hypertension SPECULATIVE 0.0938 0.05555555555555555 pitavastatin Speculative: Review regadenoson off-target effects vs hypertension mechanism. Phenotypic screen recommended. calcidiol urinary_bladder_cancer SPECULATIVE 0.0938 0.05 drostanolone Speculative: Review calcidiol off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol salivary_gland_cancer SPECULATIVE 0.0938 0.05 droxidopa Speculative: Review dihydrotachysterol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. toremifene leprosy SPECULATIVE 0.0938 0.047619047619047616 sulfamethizole Speculative: Review toremifene off-target effects vs leprosy mechanism. Phenotypic screen recommended. calcidiol pharynx_cancer SPECULATIVE 0.0938 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. calcipotriol mediastinal_cancer SPECULATIVE 0.0938 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. metoclopramide dilated_cardiomyopathy SPECULATIVE 0.0938 0.014492753623188406 drospirenone Speculative: Review metoclopramide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. procainamide dilated_cardiomyopathy SPECULATIVE 0.0938 0.014084507042253521 progesterone Speculative: Review procainamide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. aprindine bone_cancer SPECULATIVE 0.0938 0.0 ibandronate Speculative: Review aprindine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. gefitinib bone_cancer SPECULATIVE 0.0938 0.0 ibandronate Speculative: Review gefitinib off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. methamphetamine gestational_diabetes SPECULATIVE 0.0938 0.0 tolazamide Speculative: Review methamphetamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. fenoprofen germ_cell_cancer GAP_HIGH 0.0937 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in germ_cell_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) clomipramine sarcoma GAP_HIGH 0.0937 0.25 phenytoin High-priority: Binding assay clomipramine→?; validate in sarcoma cell model. Expected: similar to phenytoin (Jaccard=0.25) fenoprofen refractive_error GAP_HIGH 0.0937 0.24242424242424243 atenolol High-priority: Binding assay fenoprofen→?; validate in refractive_error cell model. Expected: similar to atenolol (Jaccard=0.24) nateglinide stomach_cancer GAP_HIGH 0.0937 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in stomach_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) trimipramine type_1_diabetes_mellitus GAP_HIGH 0.0937 0.2 benzatropine High-priority: Binding assay trimipramine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.20) erlotinib psoriatic_arthritis GAP_HIGH 0.0937 0.17647058823529413 lidocaine High-priority: Binding assay erlotinib→?; validate in psoriatic_arthritis cell model. Expected: similar to lidocaine (Jaccard=0.18) sorafenib nicotine_dependence GAP_HIGH 0.0937 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in nicotine_dependence cell model. Expected: similar to naloxone (Jaccard=0.17) ifenprodil gout GAP_HIGH 0.0937 0.15625 modafinil High-priority: Binding assay ifenprodil→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.16) doxorubicin creutzfeldt-jakob_disease SPECULATIVE 0.0937 0.14285714285714285 moexipril Speculative: Review doxorubicin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenylpropanolamine celiac_disease SPECULATIVE 0.0937 0.13793103448275862 phenacemide Speculative: Review phenylpropanolamine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. epirubicin osteoporosis SPECULATIVE 0.0937 0.125 tioguanine Speculative: Review epirubicin off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. epirubicin psoriasis SPECULATIVE 0.0937 0.125 tioguanine Speculative: Review epirubicin off-target effects vs psoriasis mechanism. Phenotypic screen recommended. menadione malignant_mesothelioma SPECULATIVE 0.0937 0.125 sirolimus Speculative: Review menadione off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. methotrexate celiac_disease SPECULATIVE 0.0937 0.125 tioguanine Speculative: Review methotrexate off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. mitiglinide malignant_mesothelioma SPECULATIVE 0.0937 0.125 warfarin Speculative: Review mitiglinide off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phenelzine gilles_de_la_tourette_syndrome SPECULATIVE 0.0937 0.12121212121212122 meclizine Speculative: Review phenelzine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ramipril uterine_fibroid SPECULATIVE 0.0937 0.11764705882352941 doxorubicin Speculative: Review ramipril off-target effects vs uterine_fibroid mechanism. Phenotypic screen recommended. pazopanib azoospermia SPECULATIVE 0.0937 0.11538461538461539 acetylsalicylic_acid Speculative: Review pazopanib off-target effects vs azoospermia mechanism. Phenotypic screen recommended. benzphetamine glaucoma SPECULATIVE 0.0937 0.1111111111111111 decamethonium Speculative: Review benzphetamine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fludiazepam brain_cancer SPECULATIVE 0.0937 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fludiazepam intracranial_aneurysm SPECULATIVE 0.0937 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. glucosamine asthma SPECULATIVE 0.0937 0.0967741935483871 olsalazine Speculative: Review glucosamine off-target effects vs asthma mechanism. Phenotypic screen recommended. cladribine hypertension SPECULATIVE 0.0937 0.09090909090909091 pitavastatin Speculative: Review cladribine off-target effects vs hypertension mechanism. Phenotypic screen recommended. amoxapine penile_cancer SPECULATIVE 0.0937 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salicylate-sodium dilated_cardiomyopathy SPECULATIVE 0.0937 0.07692307692307693 trandolapril Speculative: Review salicylate-sodium off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. azacitidine obesity SPECULATIVE 0.0937 0.0625 pitavastatin Speculative: Review azacitidine off-target effects vs obesity mechanism. Phenotypic screen recommended. clofarabine gout SPECULATIVE 0.0937 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs gout mechanism. Phenotypic screen recommended. glucosamine chronic_kidney_failure SPECULATIVE 0.0937 0.05263157894736842 acetylsalicylic_acid Speculative: Review glucosamine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. alfacalcidol lung_cancer SPECULATIVE 0.0937 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. alfacalcidol rectum_cancer SPECULATIVE 0.0937 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. chlorthalidone brain_cancer SPECULATIVE 0.0937 0.05 levorphanol Speculative: Review chlorthalidone off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol muscle_cancer SPECULATIVE 0.0937 0.05 droxidopa Speculative: Review dihydrotachysterol off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. alcaftadine focal_segmental_glomerulosclerosis SPECULATIVE 0.0937 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. imatinib nicotine_dependence SPECULATIVE 0.0937 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. l-glutamine crohns_disease SPECULATIVE 0.0937 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. atomoxetine gestational_diabetes SPECULATIVE 0.0937 0.03571428571428571 bezafibrate Speculative: Review atomoxetine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-glutamine germ_cell_cancer SPECULATIVE 0.0937 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. l-glutamine membranous_glomerulonephritis SPECULATIVE 0.0937 0.024390243902439025 calcium_acetate Speculative: Review l-glutamine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. felypressin malignant_mesothelioma SPECULATIVE 0.0937 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. pasireotide malignant_mesothelioma SPECULATIVE 0.0937 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. theophylline coronary_artery_disease SPECULATIVE 0.0937 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. theophylline hematologic_cancer SPECULATIVE 0.0937 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. thioproperazine sclerosing_cholangitis GAP_HIGH 0.0936 0.24 promazine High-priority: Binding assay thioproperazine→?; validate in sclerosing_cholangitis cell model. Expected: similar to promazine (Jaccard=0.24) modafinil germ_cell_cancer GAP_HIGH 0.0936 0.23076923076923078 tamoxifen High-priority: Binding assay modafinil→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.23) carbinoxamine thyroid_cancer GAP_HIGH 0.0936 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in thyroid_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) olsalazine pharynx_cancer GAP_HIGH 0.0936 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in pharynx_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) meclizine melanoma GAP_HIGH 0.0936 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in melanoma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) tiaprofenic_acid melanoma GAP_HIGH 0.0936 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.18) oxaprozin idiopathic_pulmonary_fibrosis GAP_HIGH 0.0936 0.17647058823529413 ephedrine High-priority: Binding assay oxaprozin→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to ephedrine (Jaccard=0.18) doxepin germ_cell_cancer GAP_HIGH 0.0936 0.16666666666666666 tamoxifen High-priority: Binding assay doxepin→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) promazine malaria GAP_HIGH 0.0936 0.15789473684210525 modafinil High-priority: Binding assay promazine→?; validate in malaria cell model. Expected: similar to modafinil (Jaccard=0.16) propiomazine meningioma GAP_HIGH 0.0936 0.15789473684210525 fentanyl High-priority: Binding assay propiomazine→?; validate in meningioma cell model. Expected: similar to fentanyl (Jaccard=0.16) ketoprofen breast_cancer SPECULATIVE 0.0936 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. ketoprofen colon_cancer SPECULATIVE 0.0936 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. bevantolol gout SPECULATIVE 0.0936 0.125 modafinil Speculative: Review bevantolol off-target effects vs gout mechanism. Phenotypic screen recommended. propafenone germ_cell_cancer SPECULATIVE 0.0936 0.11764705882352941 epirubicin Speculative: Review propafenone off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. menadione refractive_error SPECULATIVE 0.0936 0.1111111111111111 dipivefrin Speculative: Review menadione off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methamphetamine penile_cancer SPECULATIVE 0.0936 0.1111111111111111 vincristine Speculative: Review methamphetamine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. ramipril atopic_dermatitis SPECULATIVE 0.0936 0.1111111111111111 zafirlukast Speculative: Review ramipril off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. glucosamine allergic_rhinitis SPECULATIVE 0.0936 0.0967741935483871 olsalazine Speculative: Review glucosamine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. l-tryptophan brain_cancer SPECULATIVE 0.0936 0.08333333333333333 spironolactone Speculative: Review l-tryptophan off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-tryptophan intracranial_aneurysm SPECULATIVE 0.0936 0.08333333333333333 spironolactone Speculative: Review l-tryptophan off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. mestranol focal_segmental_glomerulosclerosis SPECULATIVE 0.0936 0.08 toremifene Speculative: Review mestranol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. chlorphenesin attention_deficit_hyperactivity_disorder SPECULATIVE 0.0936 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. phenformin type_1_diabetes_mellitus SPECULATIVE 0.0936 0.05555555555555555 methyldopa Speculative: Review phenformin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. alfacalcidol liver_cancer SPECULATIVE 0.0936 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. calcipotriol duodenum_cancer SPECULATIVE 0.0936 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. calcipotriol gallbladder_cancer SPECULATIVE 0.0936 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. calcidiol ankylosing_spondylitis SPECULATIVE 0.0936 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. imatinib amyotrophic_lateral_sclerosis SPECULATIVE 0.0936 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. calcipotriol thymus_cancer SPECULATIVE 0.0936 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol mediastinal_cancer SPECULATIVE 0.0936 0.04 fentanyl Speculative: Review dihydrotachysterol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. clotiazepam pharynx_cancer SPECULATIVE 0.0936 0.03225806451612903 l-tyrosine Speculative: Review clotiazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. levomilnacipran glaucoma SPECULATIVE 0.0936 0.03225806451612903 l-serine Speculative: Review levomilnacipran off-target effects vs glaucoma mechanism. Phenotypic screen recommended. flurbiprofen dilated_cardiomyopathy SPECULATIVE 0.0936 0.029411764705882353 trandolapril Speculative: Review flurbiprofen off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. reboxetine leprosy SPECULATIVE 0.0936 0.022727272727272728 phensuximide Speculative: Review reboxetine off-target effects vs leprosy mechanism. Phenotypic screen recommended. l-glutamine azoospermia SPECULATIVE 0.0936 0.02197802197802198 trimipramine Speculative: Review l-glutamine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. gefitinib alcohol_dependence SPECULATIVE 0.0936 0.016666666666666666 naloxone Speculative: Review gefitinib off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-glutamine kidney_cancer SPECULATIVE 0.0936 0.012048192771084338 fluticasone_propionate Speculative: Review l-glutamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. alitretinoin malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review alitretinoin off-target effects vs malaria mechanism. Phenotypic screen recommended. danazol malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review danazol off-target effects vs malaria mechanism. Phenotypic screen recommended. diclofenamide malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review diclofenamide off-target effects vs malaria mechanism. Phenotypic screen recommended. dipivefrin malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review dipivefrin off-target effects vs malaria mechanism. Phenotypic screen recommended. etonogestrel malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review etonogestrel off-target effects vs malaria mechanism. Phenotypic screen recommended. furosemide malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review furosemide off-target effects vs malaria mechanism. Phenotypic screen recommended. lenalidomide focal_segmental_glomerulosclerosis SPECULATIVE 0.0936 0.0 methdilazine Speculative: Review lenalidomide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. nandrolone_phenpropionate malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review nandrolone_phenpropionate off-target effects vs malaria mechanism. Phenotypic screen recommended. nelarabine focal_segmental_glomerulosclerosis SPECULATIVE 0.0936 0.0 methdilazine Speculative: Review nelarabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. norelgestromin malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review norelgestromin off-target effects vs malaria mechanism. Phenotypic screen recommended. stanozolol malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review stanozolol off-target effects vs malaria mechanism. Phenotypic screen recommended. tenofovir focal_segmental_glomerulosclerosis SPECULATIVE 0.0936 0.0 methdilazine Speculative: Review tenofovir off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. tretinoin malaria SPECULATIVE 0.0936 0.0 ethotoin Speculative: Review tretinoin off-target effects vs malaria mechanism. Phenotypic screen recommended. nateglinide osteoporosis GAP_HIGH 0.0935 0.2222222222222222 dextroamphetamine High-priority: Binding assay nateglinide→?; validate in osteoporosis cell model. Expected: similar to dextroamphetamine (Jaccard=0.22) nateglinide ovarian_cancer GAP_HIGH 0.0935 0.2222222222222222 etoricoxib High-priority: Binding assay nateglinide→?; validate in ovarian_cancer cell model. Expected: similar to etoricoxib (Jaccard=0.22) gefitinib restless_legs_syndrome GAP_HIGH 0.0935 0.21505376344086022 metoclopramide High-priority: Binding assay gefitinib→?; validate in restless_legs_syndrome cell model. Expected: similar to metoclopramide (Jaccard=0.22) salsalate muscle_cancer GAP_HIGH 0.0935 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in muscle_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) mequitazine mediastinal_cancer GAP_HIGH 0.0935 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in mediastinal_cancer cell model. Expected: similar to isopropamide (Jaccard=0.18) phentermine liver_cancer GAP_HIGH 0.0935 0.15384615384615385 mitiglinide High-priority: Binding assay phentermine→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.15) paclitaxel hypertension SPECULATIVE 0.0935 0.14285714285714285 ergocalciferol Speculative: Review paclitaxel off-target effects vs hypertension mechanism. Phenotypic screen recommended. propafenone sclerosing_cholangitis SPECULATIVE 0.0935 0.13793103448275862 fentanyl Speculative: Review propafenone off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. ketoprofen pancreatic_cancer SPECULATIVE 0.0935 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. phensuximide nephrolithiasis SPECULATIVE 0.0935 0.11904761904761904 probenecid Speculative: Review phensuximide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. beclomethasone atherosclerosis SPECULATIVE 0.0935 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trandolapril colon_cancer SPECULATIVE 0.0935 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. trandolapril thyroid_cancer SPECULATIVE 0.0935 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. mefenamic_acid alopecia_areata SPECULATIVE 0.0935 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenindamine refractive_error SPECULATIVE 0.0935 0.1 practolol Speculative: Review phenindamine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. mestranol gilles_de_la_tourette_syndrome SPECULATIVE 0.0935 0.08 toremifene Speculative: Review mestranol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diazepam larynx_cancer SPECULATIVE 0.0935 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diclofenac germ_cell_cancer SPECULATIVE 0.0935 0.07142857142857142 prednicarbate Speculative: Review diclofenac off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. pazopanib lymphatic_system_cancer SPECULATIVE 0.0935 0.06666666666666667 vinblastine Speculative: Review pazopanib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol ocular_cancer SPECULATIVE 0.0935 0.05 droxidopa Speculative: Review dihydrotachysterol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. phenoxybenzamine lymphatic_system_cancer SPECULATIVE 0.0935 0.047619047619047616 lamivudine Speculative: Review phenoxybenzamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcidiol thyroid_cancer SPECULATIVE 0.0935 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. salbutamol membranous_glomerulonephritis SPECULATIVE 0.0935 0.045454545454545456 tamsulosin Speculative: Review salbutamol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. calcipotriol coronary_artery_disease SPECULATIVE 0.0935 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. calcipotriol narcolepsy SPECULATIVE 0.0935 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. l-glutamine nephrolithiasis SPECULATIVE 0.0935 0.012048192771084338 fluticasone_propionate Speculative: Review l-glutamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. anisindione acquired_immunodeficiency_syndrome SPECULATIVE 0.0935 0.0 mitiglinide Speculative: Review anisindione off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. dimetindene acquired_immunodeficiency_syndrome SPECULATIVE 0.0935 0.0 mitiglinide Speculative: Review dimetindene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. hydrochlorothiazide alopecia_areata SPECULATIVE 0.0935 0.0 hydrocortisone Speculative: Review hydrochlorothiazide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. orphenadrine acquired_immunodeficiency_syndrome SPECULATIVE 0.0935 0.0 mitiglinide Speculative: Review orphenadrine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. remifentanil alopecia_areata SPECULATIVE 0.0935 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. telmisartan alopecia_areata SPECULATIVE 0.0935 0.0 hydrocortisone Speculative: Review telmisartan off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. triflupromazine leprosy SPECULATIVE 0.0935 0.0 sulfapyridine Speculative: Review triflupromazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. vitamin_a alopecia_areata SPECULATIVE 0.0935 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mequitazine thymus_cancer GAP_HIGH 0.0934 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in thymus_cancer cell model. Expected: similar to isopropamide (Jaccard=0.18) phenylpropanolamine pharynx_cancer GAP_HIGH 0.0934 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in pharynx_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) liothyronine crohns_disease GAP_HIGH 0.0934 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in crohns_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) fluorometholone autistic_disorder SPECULATIVE 0.0934 0.14285714285714285 dextromethorphan Speculative: Review fluorometholone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. fluorometholone parkinsons_disease SPECULATIVE 0.0934 0.14285714285714285 dextromethorphan Speculative: Review fluorometholone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. liothyronine azoospermia SPECULATIVE 0.0934 0.14285714285714285 phentermine Speculative: Review liothyronine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. meclizine hepatitis_b SPECULATIVE 0.0934 0.12903225806451613 nateglinide Speculative: Review meclizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vismodegib prostate_cancer SPECULATIVE 0.0934 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. ramipril psoriasis SPECULATIVE 0.0934 0.1111111111111111 zafirlukast Speculative: Review ramipril off-target effects vs psoriasis mechanism. Phenotypic screen recommended. trandolapril chronic_obstructive_pulmonary_disease SPECULATIVE 0.0934 0.1111111111111111 zafirlukast Speculative: Review trandolapril off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. adenine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0934 0.1 zuclopenthixol Speculative: Review adenine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. cladribine migraine SPECULATIVE 0.0934 0.09090909090909091 trimetrexate Speculative: Review cladribine off-target effects vs migraine mechanism. Phenotypic screen recommended. methyltestosterone epilepsy_syndrome SPECULATIVE 0.0934 0.08333333333333333 loperamide Speculative: Review methyltestosterone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. estrone alcohol_dependence SPECULATIVE 0.0934 0.07692307692307693 naloxone Speculative: Review estrone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. pipotiazine bone_cancer SPECULATIVE 0.0934 0.06666666666666667 alendronate Speculative: Review pipotiazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. nitrazepam alopecia_areata SPECULATIVE 0.0934 0.0625 levorphanol Speculative: Review nitrazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alfacalcidol urinary_bladder_cancer SPECULATIVE 0.0934 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. alfacalcidol pharynx_cancer SPECULATIVE 0.0934 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. calcidiol epilepsy_syndrome SPECULATIVE 0.0934 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. estazolam nephrolithiasis SPECULATIVE 0.0934 0.041666666666666664 oxybuprocaine Speculative: Review estazolam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ethotoin germ_cell_cancer SPECULATIVE 0.0934 0.037037037037037035 fluticasone_propionate Speculative: Review ethotoin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fluorometholone gestational_diabetes SPECULATIVE 0.0934 0.037037037037037035 bezafibrate Speculative: Review fluorometholone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cytarabine head_and_neck_cancer SPECULATIVE 0.0934 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cytarabine malignant_glioma SPECULATIVE 0.0934 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. goserelin alcohol_dependence SPECULATIVE 0.0934 0.0 midazolam Speculative: Review goserelin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. lenalidomide gilles_de_la_tourette_syndrome SPECULATIVE 0.0934 0.0 loxapine Speculative: Review lenalidomide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. nelarabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0934 0.0 loxapine Speculative: Review nelarabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. tenofovir gilles_de_la_tourette_syndrome SPECULATIVE 0.0934 0.0 loxapine Speculative: Review tenofovir off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. trandolapril alcohol_dependence SPECULATIVE 0.0934 0.0 midazolam Speculative: Review trandolapril off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. olsalazine thyroid_cancer GAP_HIGH 0.0933 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in thyroid_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) warfarin chronic_kidney_failure GAP_HIGH 0.0933 0.1875 carbinoxamine High-priority: Binding assay warfarin→?; validate in chronic_kidney_failure cell model. Expected: similar to carbinoxamine (Jaccard=0.19) chlorpromazine celiac_disease GAP_HIGH 0.0933 0.1794871794871795 chlorcyclizine High-priority: Binding assay chlorpromazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.18) paclitaxel psoriasis SPECULATIVE 0.0933 0.14285714285714285 ergocalciferol Speculative: Review paclitaxel off-target effects vs psoriasis mechanism. Phenotypic screen recommended. ketoprofen ovarian_cancer SPECULATIVE 0.0933 0.13333333333333333 tiaprofenic_acid Speculative: Review ketoprofen off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. pazopanib duodenum_cancer SPECULATIVE 0.0933 0.13333333333333333 docetaxel Speculative: Review pazopanib off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. pazopanib gallbladder_cancer SPECULATIVE 0.0933 0.13333333333333333 docetaxel Speculative: Review pazopanib off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. propafenone hematologic_cancer SPECULATIVE 0.0933 0.13043478260869565 ifenprodil Speculative: Review propafenone off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. trandolapril ulcerative_colitis SPECULATIVE 0.0933 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. lisinopril thyroid_cancer SPECULATIVE 0.0933 0.1111111111111111 irinotecan Speculative: Review lisinopril off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. nitrazepam urinary_bladder_cancer SPECULATIVE 0.0933 0.1111111111111111 reboxetine Speculative: Review nitrazepam off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. ramipril ovarian_cancer SPECULATIVE 0.0933 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. ramipril uterine_cancer SPECULATIVE 0.0933 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide pharynx_cancer SPECULATIVE 0.0933 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. erlotinib lymphatic_system_cancer SPECULATIVE 0.0933 0.07692307692307693 vinblastine Speculative: Review erlotinib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorphenesin conduct_disorder SPECULATIVE 0.0933 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. difenoxin germ_cell_cancer SPECULATIVE 0.0933 0.0625 tamoxifen Speculative: Review difenoxin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. afatinib alopecia_areata SPECULATIVE 0.0933 0.05555555555555555 dexamethasone Speculative: Review afatinib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. oxybuprocaine hepatitis_b SPECULATIVE 0.0933 0.05 pentostatin Speculative: Review oxybuprocaine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alfacalcidol ankylosing_spondylitis SPECULATIVE 0.0933 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. methadyl_acetate lymphatic_system_cancer SPECULATIVE 0.0933 0.043478260869565216 riboflavin Speculative: Review methadyl_acetate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mazindol dilated_cardiomyopathy SPECULATIVE 0.0933 0.0425531914893617 drospirenone Speculative: Review mazindol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pazopanib acquired_immunodeficiency_syndrome SPECULATIVE 0.0933 0.041666666666666664 floxuridine Speculative: Review pazopanib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. oxaprozin gestational_diabetes SPECULATIVE 0.0933 0.03125 bezafibrate Speculative: Review oxaprozin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. aciclovir larynx_cancer SPECULATIVE 0.0933 0.0 vinblastine Speculative: Review aciclovir off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adinazolam larynx_cancer SPECULATIVE 0.0933 0.0 vinblastine Speculative: Review adinazolam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clotiazepam type_1_diabetes_mellitus SPECULATIVE 0.0933 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide azoospermia SPECULATIVE 0.0933 0.0 phenylbutazone Speculative: Review flavin_adenine_dinucleotide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. flurazepam larynx_cancer SPECULATIVE 0.0933 0.0 vinblastine Speculative: Review flurazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. paricalcitol larynx_cancer SPECULATIVE 0.0933 0.0 vinblastine Speculative: Review paricalcitol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenylephrine larynx_cancer SPECULATIVE 0.0933 0.0 vinblastine Speculative: Review phenylephrine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tenofovir type_1_diabetes_mellitus SPECULATIVE 0.0933 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fentanyl liver_cancer GAP_HIGH 0.0932 0.23809523809523808 benzatropine High-priority: Binding assay fentanyl→?; validate in liver_cancer cell model. Expected: similar to benzatropine (Jaccard=0.24) aminosalicylic_acid creutzfeldt-jakob_disease GAP_HIGH 0.0932 0.2 l-tryptophan High-priority: Binding assay aminosalicylic_acid→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-tryptophan (Jaccard=0.20) reboxetine salivary_gland_cancer GAP_HIGH 0.0932 0.2 modafinil High-priority: Binding assay reboxetine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.20) meclizine sclerosing_cholangitis GAP_HIGH 0.0932 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in sclerosing_cholangitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) cyclopentolate uterine_cancer GAP_HIGH 0.0932 0.18181818181818182 naftifine High-priority: Binding assay cyclopentolate→?; validate in uterine_cancer cell model. Expected: similar to naftifine (Jaccard=0.18) sorafenib conduct_disorder GAP_HIGH 0.0932 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in conduct_disorder cell model. Expected: similar to naloxone (Jaccard=0.17) sorafenib panic_disorder GAP_HIGH 0.0932 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.17) sorafenib schizophrenia GAP_HIGH 0.0932 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.17) menadione rectum_cancer SPECULATIVE 0.0932 0.14285714285714285 methimazole Speculative: Review menadione off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. nortriptyline prostate_cancer SPECULATIVE 0.0932 0.14285714285714285 pipotiazine Speculative: Review nortriptyline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. propafenone pharynx_cancer SPECULATIVE 0.0932 0.13793103448275862 fentanyl Speculative: Review propafenone off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. l-dopa hepatitis_b SPECULATIVE 0.0932 0.125 mitiglinide Speculative: Review l-dopa off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vismodegib mediastinal_cancer SPECULATIVE 0.0932 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. crizotinib atopic_dermatitis SPECULATIVE 0.0932 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. lisinopril peripheral_nervous_system_neoplasm SPECULATIVE 0.0932 0.11538461538461539 bezafibrate Speculative: Review lisinopril off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. flurandrenolide refractive_error SPECULATIVE 0.0932 0.1111111111111111 succinylcholine Speculative: Review flurandrenolide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ramipril lung_cancer SPECULATIVE 0.0932 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. cinnarizine kidney_cancer SPECULATIVE 0.0932 0.1 tolbutamide Speculative: Review cinnarizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. oxazepam primary_biliary_cirrhosis SPECULATIVE 0.0932 0.09090909090909091 atropine Speculative: Review oxazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. ketoprofen celiac_disease SPECULATIVE 0.0932 0.08695652173913043 pseudoephedrine Speculative: Review ketoprofen off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-tyrosine gestational_diabetes SPECULATIVE 0.0932 0.0625 gliquidone Speculative: Review l-tyrosine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. calcidiol pancreatic_cancer SPECULATIVE 0.0932 0.05 drostanolone Speculative: Review calcidiol off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. calcidiol stomach_cancer SPECULATIVE 0.0932 0.05 drostanolone Speculative: Review calcidiol off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. benzphetamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0932 0.047619047619047616 nateglinide Speculative: Review benzphetamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alfacalcidol thyroid_cancer SPECULATIVE 0.0932 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. paricalcitol urinary_bladder_cancer SPECULATIVE 0.0932 0.045454545454545456 drostanolone Speculative: Review paricalcitol off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. ethylmorphine brain_cancer SPECULATIVE 0.0932 0.04 levorphanol Speculative: Review ethylmorphine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pheniramine leprosy SPECULATIVE 0.0932 0.017241379310344827 phensuximide Speculative: Review pheniramine off-target effects vs leprosy mechanism. Phenotypic screen recommended. aspartame dilated_cardiomyopathy SPECULATIVE 0.0932 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cytarabine refractive_error SPECULATIVE 0.0932 0.0 pirbuterol Speculative: Review cytarabine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. indapamide dilated_cardiomyopathy SPECULATIVE 0.0932 0.0 hydrocortisone Speculative: Review indapamide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. nitrazepam dilated_cardiomyopathy SPECULATIVE 0.0932 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. zafirlukast nephrolithiasis SPECULATIVE 0.0932 0.0 hydrocortisone Speculative: Review zafirlukast off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ethopropazine refractive_error GAP_HIGH 0.0931 0.2 metaraminol High-priority: Binding assay ethopropazine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.20) carbinoxamine muscle_cancer GAP_HIGH 0.0931 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in muscle_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) meclizine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0931 0.175 diphenhydramine High-priority: Binding assay meclizine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to diphenhydramine (Jaccard=0.17) cyclopentolate meningioma GAP_HIGH 0.0931 0.16 methadone High-priority: Binding assay cyclopentolate→?; validate in meningioma cell model. Expected: similar to methadone (Jaccard=0.16) desipramine celiac_disease SPECULATIVE 0.0931 0.14285714285714285 fentanyl Speculative: Review desipramine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. cinolazepam muscle_cancer SPECULATIVE 0.0931 0.0975609756097561 phensuximide Speculative: Review cinolazepam off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. cladribine metabolic_syndrome_x SPECULATIVE 0.0931 0.09090909090909091 pitavastatin Speculative: Review cladribine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. bethanidine larynx_cancer SPECULATIVE 0.0931 0.08695652173913043 alendronate Speculative: Review bethanidine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ketorolac germ_cell_cancer SPECULATIVE 0.0931 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. chlorphenesin bipolar_disorder SPECULATIVE 0.0931 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. regadenoson metabolic_syndrome_x SPECULATIVE 0.0931 0.05555555555555555 pitavastatin Speculative: Review regadenoson off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. vismodegib lymphatic_system_cancer SPECULATIVE 0.0931 0.05263157894736842 tetrahydrofolic_acid Speculative: Review vismodegib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mestranol atherosclerosis SPECULATIVE 0.0931 0.05 mesalazine Speculative: Review mestranol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. diclofenamide stomach_cancer SPECULATIVE 0.0931 0.047619047619047616 fentanyl Speculative: Review diclofenamide off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. procaine lymphatic_system_cancer SPECULATIVE 0.0931 0.047619047619047616 nelarabine Speculative: Review procaine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. alfacalcidol epilepsy_syndrome SPECULATIVE 0.0931 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. calcidiol salivary_gland_cancer SPECULATIVE 0.0931 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. imatinib atopic_dermatitis SPECULATIVE 0.0931 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. azacitidine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0931 0.041666666666666664 dyphylline Speculative: Review azacitidine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. l-glutamine gout SPECULATIVE 0.0931 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs gout mechanism. Phenotypic screen recommended. l-glutamine primary_biliary_cirrhosis SPECULATIVE 0.0931 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. l-glutamine penile_cancer SPECULATIVE 0.0931 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. alverine bone_cancer SPECULATIVE 0.0931 0.0 ibandronate Speculative: Review alverine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. alverine gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review alverine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. carbinoxamine leprosy SPECULATIVE 0.0931 0.0 sulfapyridine Speculative: Review carbinoxamine off-target effects vs leprosy mechanism. Phenotypic screen recommended. clodronate gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review clodronate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dextroamphetamine gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review dextroamphetamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. docetaxel bone_cancer SPECULATIVE 0.0931 0.0 ibandronate Speculative: Review docetaxel off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. doxorubicin gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review doxorubicin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. entecavir gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review entecavir off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. estazolam lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review estazolam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. felypressin meningioma SPECULATIVE 0.0931 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs meningioma mechanism. Phenotypic screen recommended. levomilnacipran lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review levomilnacipran off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. metaraminol lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review metaraminol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. milnacipran lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review milnacipran off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nortriptyline gestational_diabetes SPECULATIVE 0.0931 0.0 tolazamide Speculative: Review nortriptyline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pasireotide meningioma SPECULATIVE 0.0931 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs meningioma mechanism. Phenotypic screen recommended. pimozide atherosclerosis SPECULATIVE 0.0931 0.0 fenoprofen Speculative: Review pimozide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pimozide lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review pimozide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pomalidomide membranous_glomerulonephritis SPECULATIVE 0.0931 0.0 methdilazine Speculative: Review pomalidomide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. trilostane atherosclerosis SPECULATIVE 0.0931 0.0 fenoprofen Speculative: Review trilostane off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trilostane lymphatic_system_cancer SPECULATIVE 0.0931 0.0 vinblastine Speculative: Review trilostane off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vandetanib bone_cancer SPECULATIVE 0.0931 0.0 ibandronate Speculative: Review vandetanib off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. zidovudine atherosclerosis SPECULATIVE 0.0931 0.0 fenoprofen Speculative: Review zidovudine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trifluoperazine thyroid_cancer GAP_HIGH 0.093 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in thyroid_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) salsalate urinary_bladder_cancer GAP_HIGH 0.093 0.20512820512820512 fenoprofen High-priority: Binding assay salsalate→?; validate in urinary_bladder_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.21) trifluoperazine head_and_neck_cancer GAP_HIGH 0.093 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in head_and_neck_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) trifluoperazine malignant_glioma GAP_HIGH 0.093 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in malignant_glioma cell model. Expected: similar to alendronate (Jaccard=0.18) sorafenib bipolar_disorder GAP_HIGH 0.093 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in bipolar_disorder cell model. Expected: similar to naloxone (Jaccard=0.17) liothyronine idiopathic_pulmonary_fibrosis GAP_HIGH 0.093 0.15384615384615385 isoprenaline High-priority: Binding assay liothyronine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to isoprenaline (Jaccard=0.15) nortriptyline mediastinal_cancer SPECULATIVE 0.093 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. raloxifene azoospermia SPECULATIVE 0.093 0.125 dienestrol Speculative: Review raloxifene off-target effects vs azoospermia mechanism. Phenotypic screen recommended. nortriptyline brain_cancer SPECULATIVE 0.093 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. nortriptyline intracranial_aneurysm SPECULATIVE 0.093 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pargyline type_1_diabetes_mellitus SPECULATIVE 0.093 0.1111111111111111 glipizide Speculative: Review pargyline off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. midazolam penile_cancer SPECULATIVE 0.093 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. alvimopan glaucoma SPECULATIVE 0.093 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cinnarizine alopecia_areata SPECULATIVE 0.093 0.08333333333333333 fluticasone_propionate Speculative: Review cinnarizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorphenesin endogenous_depression SPECULATIVE 0.093 0.07142857142857142 flurazepam Speculative: Review chlorphenesin off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. bromfenac dilated_cardiomyopathy SPECULATIVE 0.093 0.0625 hydrocortisone Speculative: Review bromfenac off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clotrimazole alcohol_dependence SPECULATIVE 0.093 0.0625 naloxone Speculative: Review clotrimazole off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. adenosine_triphosphate head_and_neck_cancer SPECULATIVE 0.093 0.05714285714285714 methotrexate Speculative: Review adenosine_triphosphate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate malignant_glioma SPECULATIVE 0.093 0.05714285714285714 methotrexate Speculative: Review adenosine_triphosphate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. calcidiol uterine_cancer SPECULATIVE 0.093 0.05 drostanolone Speculative: Review calcidiol off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. ribavirin gout SPECULATIVE 0.093 0.05 methotrexate Speculative: Review ribavirin off-target effects vs gout mechanism. Phenotypic screen recommended. calcidiol muscle_cancer SPECULATIVE 0.093 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. ribavirin celiac_disease SPECULATIVE 0.093 0.034482758620689655 salsalate Speculative: Review ribavirin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. cytarabine celiac_disease SPECULATIVE 0.093 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. reboxetine ocular_cancer GAP_HIGH 0.0929 0.2 modafinil High-priority: Binding assay reboxetine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.20) trifluoperazine kidney_cancer GAP_HIGH 0.0929 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in kidney_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) perphenazine celiac_disease GAP_HIGH 0.0929 0.16666666666666666 chlorcyclizine High-priority: Binding assay perphenazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.17) sorafenib endogenous_depression GAP_HIGH 0.0929 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in endogenous_depression cell model. Expected: similar to naloxone (Jaccard=0.17) liothyronine germ_cell_cancer SPECULATIVE 0.0929 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. nortriptyline thymus_cancer SPECULATIVE 0.0929 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol brain_cancer SPECULATIVE 0.0929 0.125 alclometasone Speculative: Review diethylstilbestrol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol intracranial_aneurysm SPECULATIVE 0.0929 0.125 alclometasone Speculative: Review diethylstilbestrol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. acetylsalicylic_acid focal_segmental_glomerulosclerosis SPECULATIVE 0.0929 0.12 mefenamic_acid Speculative: Review acetylsalicylic_acid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. trandolapril systemic_lupus_erythematosus SPECULATIVE 0.0929 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. crizotinib migraine SPECULATIVE 0.0929 0.11538461538461539 pseudoephedrine Speculative: Review crizotinib off-target effects vs migraine mechanism. Phenotypic screen recommended. fludiazepam head_and_neck_cancer SPECULATIVE 0.0929 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fludiazepam malignant_glioma SPECULATIVE 0.0929 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alverine refractive_error SPECULATIVE 0.0929 0.1 decamethonium Speculative: Review alverine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. bromodiphenhydramine brain_cancer SPECULATIVE 0.0929 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bromodiphenhydramine intracranial_aneurysm SPECULATIVE 0.0929 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. podofilox azoospermia SPECULATIVE 0.0929 0.1 doxepin Speculative: Review podofilox off-target effects vs azoospermia mechanism. Phenotypic screen recommended. procaine membranous_glomerulonephritis SPECULATIVE 0.0929 0.1 ethopropazine Speculative: Review procaine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. clodronate refractive_error SPECULATIVE 0.0929 0.09090909090909091 arbutamine Speculative: Review clodronate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. dextroamphetamine head_and_neck_cancer SPECULATIVE 0.0929 0.09090909090909091 topotecan Speculative: Review dextroamphetamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dextroamphetamine malignant_glioma SPECULATIVE 0.0929 0.09090909090909091 topotecan Speculative: Review dextroamphetamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. naproxen kidney_cancer SPECULATIVE 0.0929 0.08695652173913043 tolazamide Speculative: Review naproxen off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. amoxapine meningioma SPECULATIVE 0.0929 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs meningioma mechanism. Phenotypic screen recommended. oxazepam germ_cell_cancer SPECULATIVE 0.0929 0.07692307692307693 alendronate Speculative: Review oxazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cinolazepam brain_cancer SPECULATIVE 0.0929 0.0625 levorphanol Speculative: Review cinolazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. sulfadiazine larynx_cancer SPECULATIVE 0.0929 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. alfacalcidol stomach_cancer SPECULATIVE 0.0929 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. calcidiol ocular_cancer SPECULATIVE 0.0929 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. cyproheptadine focal_segmental_glomerulosclerosis SPECULATIVE 0.0929 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. phensuximide acquired_immunodeficiency_syndrome SPECULATIVE 0.0929 0.044444444444444446 mitiglinide Speculative: Review phensuximide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ribavirin chronic_kidney_failure SPECULATIVE 0.0929 0.034482758620689655 salsalate Speculative: Review ribavirin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. regadenoson azoospermia SPECULATIVE 0.0929 0.029411764705882353 procaine Speculative: Review regadenoson off-target effects vs azoospermia mechanism. Phenotypic screen recommended. l-glutamine malignant_mesothelioma SPECULATIVE 0.0929 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. mazindol gestational_diabetes SPECULATIVE 0.0929 0.017543859649122806 bezafibrate Speculative: Review mazindol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cytarabine chronic_kidney_failure SPECULATIVE 0.0929 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. nelarabine glaucoma SPECULATIVE 0.0929 0.0 pirbuterol Speculative: Review nelarabine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. theophylline duodenum_cancer SPECULATIVE 0.0929 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. theophylline gallbladder_cancer SPECULATIVE 0.0929 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. theophylline melanoma SPECULATIVE 0.0929 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs melanoma mechanism. Phenotypic screen recommended. phenylbutazone germ_cell_cancer GAP_HIGH 0.0928 0.2222222222222222 tamoxifen High-priority: Binding assay phenylbutazone→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.22) olsalazine muscle_cancer GAP_HIGH 0.0928 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in muscle_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) meclizine ankylosing_spondylitis GAP_HIGH 0.0928 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in ankylosing_spondylitis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) trifluoperazine nephrolithiasis GAP_HIGH 0.0928 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in nephrolithiasis cell model. Expected: similar to alendronate (Jaccard=0.18) meclizine gout GAP_HIGH 0.0928 0.175 modafinil High-priority: Binding assay meclizine→?; validate in gout cell model. Expected: similar to modafinil (Jaccard=0.17) amitriptyline germ_cell_cancer GAP_HIGH 0.0928 0.16666666666666666 tamoxifen High-priority: Binding assay amitriptyline→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.17) phenylpropanolamine salivary_gland_cancer GAP_HIGH 0.0928 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in salivary_gland_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) paclitaxel coronary_artery_disease SPECULATIVE 0.0928 0.125 naloxone Speculative: Review paclitaxel off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. paclitaxel hematologic_cancer SPECULATIVE 0.0928 0.125 cyproterone_acetate Speculative: Review paclitaxel off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. sorafenib refractive_error SPECULATIVE 0.0928 0.125 dinoprost_tromethamine Speculative: Review sorafenib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clonidine head_and_neck_cancer SPECULATIVE 0.0928 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clonidine malignant_glioma SPECULATIVE 0.0928 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methamphetamine meningioma SPECULATIVE 0.0928 0.1111111111111111 vincristine Speculative: Review methamphetamine off-target effects vs meningioma mechanism. Phenotypic screen recommended. fludiazepam kidney_cancer SPECULATIVE 0.0928 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. midazolam malignant_mesothelioma SPECULATIVE 0.0928 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. paclitaxel intracranial_aneurysm SPECULATIVE 0.0928 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alvimopan intracranial_aneurysm SPECULATIVE 0.0928 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenoxybenzamine refractive_error SPECULATIVE 0.0928 0.08333333333333333 metaraminol Speculative: Review phenoxybenzamine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ramipril azoospermia SPECULATIVE 0.0928 0.07692307692307693 salicylate-sodium Speculative: Review ramipril off-target effects vs azoospermia mechanism. Phenotypic screen recommended. pemetrexed azoospermia SPECULATIVE 0.0928 0.05263157894736842 acetylsalicylic_acid Speculative: Review pemetrexed off-target effects vs azoospermia mechanism. Phenotypic screen recommended. alfacalcidol pancreatic_cancer SPECULATIVE 0.0928 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. practolol germ_cell_cancer SPECULATIVE 0.0928 0.047619047619047616 toremifene Speculative: Review practolol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. alfacalcidol salivary_gland_cancer SPECULATIVE 0.0928 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine alcohol_dependence SPECULATIVE 0.0928 0.041666666666666664 ethylmorphine Speculative: Review phenylpropanolamine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. regadenoson idiopathic_pulmonary_fibrosis SPECULATIVE 0.0928 0.038461538461538464 dyphylline Speculative: Review regadenoson off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. ribavirin azoospermia SPECULATIVE 0.0928 0.038461538461538464 phenylpropanolamine Speculative: Review ribavirin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. hydromorphone hepatitis_b SPECULATIVE 0.0928 0.018867924528301886 s-adenosylmethionine Speculative: Review hydromorphone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. carbinoxamine urinary_bladder_cancer GAP_HIGH 0.0927 0.19047619047619047 trimipramine High-priority: Binding assay carbinoxamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to trimipramine (Jaccard=0.19) tiaprofenic_acid primary_biliary_cirrhosis GAP_HIGH 0.0927 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to bromfenac (Jaccard=0.17) liothyronine gout GAP_HIGH 0.0927 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in gout cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) liothyronine primary_biliary_cirrhosis GAP_HIGH 0.0927 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.15) temazepam germ_cell_cancer SPECULATIVE 0.0927 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. erlotinib azoospermia SPECULATIVE 0.0927 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs azoospermia mechanism. Phenotypic screen recommended. trandolapril skin_cancer SPECULATIVE 0.0927 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs skin_cancer mechanism. Phenotypic screen recommended. mazindol hepatitis_b SPECULATIVE 0.0927 0.1111111111111111 nateglinide Speculative: Review mazindol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ramipril testicular_cancer SPECULATIVE 0.0927 0.1111111111111111 irinotecan Speculative: Review ramipril off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. trandolapril liver_cancer SPECULATIVE 0.0927 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. doxorubicin celiac_disease SPECULATIVE 0.0927 0.10714285714285714 pseudoephedrine Speculative: Review doxorubicin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. fludiazepam nephrolithiasis SPECULATIVE 0.0927 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cladribine obesity SPECULATIVE 0.0927 0.09090909090909091 pitavastatin Speculative: Review cladribine off-target effects vs obesity mechanism. Phenotypic screen recommended. dextroamphetamine nephrolithiasis SPECULATIVE 0.0927 0.09090909090909091 benzocaine Speculative: Review dextroamphetamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. procarbazine gilles_de_la_tourette_syndrome SPECULATIVE 0.0927 0.09090909090909091 alvimopan Speculative: Review procarbazine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diazepam type_1_diabetes_mellitus SPECULATIVE 0.0927 0.08333333333333333 atropine Speculative: Review diazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. l-tryptophan malignant_glioma SPECULATIVE 0.0927 0.08333333333333333 spironolactone Speculative: Review l-tryptophan off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide salivary_gland_cancer SPECULATIVE 0.0927 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. pimozide liver_cancer SPECULATIVE 0.0927 0.07692307692307693 proparacaine Speculative: Review pimozide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. clodronate hepatitis_b SPECULATIVE 0.0927 0.06666666666666667 nateglinide Speculative: Review clodronate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ethynodiol gilles_de_la_tourette_syndrome SPECULATIVE 0.0927 0.06666666666666667 carbinoxamine Speculative: Review ethynodiol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate azoospermia SPECULATIVE 0.0927 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. sulfaphenazole gilles_de_la_tourette_syndrome SPECULATIVE 0.0927 0.0625 midazolam Speculative: Review sulfaphenazole off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. orciprenaline chronic_kidney_failure SPECULATIVE 0.0927 0.05555555555555555 salsalate Speculative: Review orciprenaline off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. regadenoson obesity SPECULATIVE 0.0927 0.05555555555555555 pitavastatin Speculative: Review regadenoson off-target effects vs obesity mechanism. Phenotypic screen recommended. adenosine_triphosphate glaucoma SPECULATIVE 0.0927 0.04878048780487805 l-carnitine Speculative: Review adenosine_triphosphate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. alfacalcidol muscle_cancer SPECULATIVE 0.0927 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. imatinib migraine SPECULATIVE 0.0927 0.045454545454545456 pseudoephedrine Speculative: Review imatinib off-target effects vs migraine mechanism. Phenotypic screen recommended. calcipotriol melanoma SPECULATIVE 0.0927 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs melanoma mechanism. Phenotypic screen recommended. pralatrexate azoospermia SPECULATIVE 0.0927 0.043478260869565216 acetylsalicylic_acid Speculative: Review pralatrexate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. phensuximide dilated_cardiomyopathy SPECULATIVE 0.0927 0.02127659574468085 trandolapril Speculative: Review phensuximide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. acepromazine leprosy SPECULATIVE 0.0927 0.0 sulfapyridine Speculative: Review acepromazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. alfacalcidol hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review alfacalcidol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. benzocaine brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review benzocaine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. benzocaine intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review benzocaine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. bevantolol alcohol_dependence SPECULATIVE 0.0927 0.0 midazolam Speculative: Review bevantolol off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcidiol hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review calcidiol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. calcipotriol hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review calcipotriol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ceruletide hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review ceruletide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorphenesin hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review chlorphenesin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cinchocaine intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review cinchocaine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clotiazepam intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dihydrotachysterol hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review dihydrotachysterol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. dobutamine brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dobutamine intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. doxapram hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review doxapram off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ethotoin hepatitis_b SPECULATIVE 0.0927 0.0 mitiglinide Speculative: Review ethotoin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. lenalidomide brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lenalidomide intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. mephentermine brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review mephentermine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mephentermine intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review mephentermine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. procainamide alcohol_dependence SPECULATIVE 0.0927 0.0 midazolam Speculative: Review procainamide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. proparacaine intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review proparacaine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tenofovir brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tenofovir intracranial_aneurysm SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vismodegib alcohol_dependence SPECULATIVE 0.0927 0.0 midazolam Speculative: Review vismodegib off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. zolpidem brain_cancer SPECULATIVE 0.0927 0.0 hydrocortisone Speculative: Review zolpidem off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ethopropazine penile_cancer GAP_HIGH 0.0926 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in penile_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) bezafibrate alzheimers_disease GAP_HIGH 0.0926 0.1935483870967742 naproxen High-priority: Binding assay bezafibrate→?; validate in alzheimers_disease cell model. Expected: similar to naproxen (Jaccard=0.19) meclizine thyroid_cancer GAP_HIGH 0.0926 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in thyroid_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) tiaprofenic_acid thyroid_cancer GAP_HIGH 0.0926 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in thyroid_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) cyclopentolate vaginal_cancer GAP_HIGH 0.0926 0.18181818181818182 naftifine High-priority: Binding assay cyclopentolate→?; validate in vaginal_cancer cell model. Expected: similar to naftifine (Jaccard=0.18) cyclopentolate vulva_cancer GAP_HIGH 0.0926 0.18181818181818182 naftifine High-priority: Binding assay cyclopentolate→?; validate in vulva_cancer cell model. Expected: similar to naftifine (Jaccard=0.18) ifenprodil duodenum_cancer GAP_HIGH 0.0926 0.15625 diphenhydramine High-priority: Binding assay ifenprodil→?; validate in duodenum_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.16) ifenprodil gallbladder_cancer GAP_HIGH 0.0926 0.15625 diphenhydramine High-priority: Binding assay ifenprodil→?; validate in gallbladder_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.16) acetylsalicylic_acid prostate_cancer GAP_HIGH 0.0926 0.15384615384615385 sunitinib High-priority: Binding assay acetylsalicylic_acid→?; validate in prostate_cancer cell model. Expected: similar to sunitinib (Jaccard=0.15) erlotinib crohns_disease SPECULATIVE 0.0926 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. trandolapril vaginal_cancer SPECULATIVE 0.0926 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. trandolapril vulva_cancer SPECULATIVE 0.0926 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. clonidine nephrolithiasis SPECULATIVE 0.0926 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mefenamic_acid esophageal_cancer SPECULATIVE 0.0926 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. menadione glaucoma SPECULATIVE 0.0926 0.1 pirbuterol Speculative: Review menadione off-target effects vs glaucoma mechanism. Phenotypic screen recommended. midazolam celiac_disease SPECULATIVE 0.0926 0.09090909090909091 anisotropine_methylbromide Speculative: Review midazolam off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. chloroprocaine larynx_cancer SPECULATIVE 0.0926 0.058823529411764705 cabazitaxel Speculative: Review chloroprocaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sulfaphenazole alopecia_areata SPECULATIVE 0.0926 0.05555555555555555 fluticasone_propionate Speculative: Review sulfaphenazole off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alfacalcidol uterine_cancer SPECULATIVE 0.0926 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. gefitinib acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.046296296296296294 adenosine_monophosphate Speculative: Review gefitinib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate focal_segmental_glomerulosclerosis SPECULATIVE 0.0926 0.044444444444444446 ethopropazine Speculative: Review adenosine_triphosphate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sorafenib dilated_cardiomyopathy SPECULATIVE 0.0926 0.038461538461538464 rimexolone Speculative: Review sorafenib off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cyproheptadine acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.0 mitiglinide Speculative: Review cyproheptadine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. difenoxin acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.0 mitiglinide Speculative: Review difenoxin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. disopyramide acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.0 mitiglinide Speculative: Review disopyramide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. drostanolone acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.0 mitiglinide Speculative: Review drostanolone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. oxazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0926 0.0 mitiglinide Speculative: Review oxazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ethopropazine primary_biliary_cirrhosis GAP_HIGH 0.0925 0.2222222222222222 tamoxifen High-priority: Binding assay ethopropazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.22) estrone azoospermia GAP_HIGH 0.0925 0.18181818181818182 dienestrol High-priority: Binding assay estrone→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.18) sorafenib metabolic_syndrome_x GAP_HIGH 0.0925 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in metabolic_syndrome_x cell model. Expected: similar to naloxone (Jaccard=0.17) liothyronine coronary_artery_disease GAP_HIGH 0.0925 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in coronary_artery_disease cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) estradiol azoospermia SPECULATIVE 0.0925 0.13333333333333333 dienestrol Speculative: Review estradiol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. masoprocol chronic_kidney_failure SPECULATIVE 0.0925 0.11764705882352941 benzthiazide Speculative: Review masoprocol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. trandolapril vascular_cancer SPECULATIVE 0.0925 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. sorafenib esophageal_cancer SPECULATIVE 0.0925 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. trandolapril peripheral_nervous_system_neoplasm SPECULATIVE 0.0925 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. trandolapril urinary_bladder_cancer SPECULATIVE 0.0925 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. afatinib gout SPECULATIVE 0.0925 0.09090909090909091 gliclazide Speculative: Review afatinib off-target effects vs gout mechanism. Phenotypic screen recommended. ketorolac penile_cancer SPECULATIVE 0.0925 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. l-tryptophan nephrolithiasis SPECULATIVE 0.0925 0.08333333333333333 spironolactone Speculative: Review l-tryptophan off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. anisotropine_methylbromide muscle_cancer SPECULATIVE 0.0925 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. abacavir ankylosing_spondylitis SPECULATIVE 0.0925 0.06666666666666667 tetrahydrofolic_acid Speculative: Review abacavir off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. rimexolone gestational_diabetes SPECULATIVE 0.0925 0.06451612903225806 bezafibrate Speculative: Review rimexolone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alfacalcidol ocular_cancer SPECULATIVE 0.0925 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. calcidiol peripheral_nervous_system_neoplasm SPECULATIVE 0.0925 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. antazoline gestational_diabetes SPECULATIVE 0.0925 0.0 tolazamide Speculative: Review antazoline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cinnarizine bone_cancer SPECULATIVE 0.0925 0.0 ibandronate Speculative: Review cinnarizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. diphenidol bone_cancer SPECULATIVE 0.0925 0.0 ibandronate Speculative: Review diphenidol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. diphenidol gestational_diabetes SPECULATIVE 0.0925 0.0 tolazamide Speculative: Review diphenidol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. flurbiprofen bone_cancer SPECULATIVE 0.0925 0.0 ibandronate Speculative: Review flurbiprofen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. teniposide bone_cancer SPECULATIVE 0.0925 0.0 ibandronate Speculative: Review teniposide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. teniposide gestational_diabetes SPECULATIVE 0.0925 0.0 tolazamide Speculative: Review teniposide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. theophylline creutzfeldt-jakob_disease SPECULATIVE 0.0925 0.0 loxapine Speculative: Review theophylline off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. theophylline sclerosing_cholangitis SPECULATIVE 0.0925 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. olsalazine urinary_bladder_cancer GAP_HIGH 0.0924 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) mequitazine melanoma GAP_HIGH 0.0924 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in melanoma cell model. Expected: similar to isopropamide (Jaccard=0.18) aminosalicylic_acid chronic_kidney_failure GAP_HIGH 0.0924 0.16666666666666666 salsalate High-priority: Binding assay aminosalicylic_acid→?; validate in chronic_kidney_failure cell model. Expected: similar to salsalate (Jaccard=0.17) phenylpropanolamine duodenum_cancer GAP_HIGH 0.0924 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in duodenum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) phenylpropanolamine gallbladder_cancer GAP_HIGH 0.0924 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in gallbladder_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) doxorubicin alzheimers_disease SPECULATIVE 0.0924 0.14285714285714285 moexipril Speculative: Review doxorubicin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. doxorubicin parkinsons_disease SPECULATIVE 0.0924 0.14285714285714285 moexipril Speculative: Review doxorubicin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. menadione prostate_cancer SPECULATIVE 0.0924 0.125 sirolimus Speculative: Review menadione off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. mitiglinide prostate_cancer SPECULATIVE 0.0924 0.125 warfarin Speculative: Review mitiglinide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. salicylic_acid germ_cell_cancer SPECULATIVE 0.0924 0.125 melphalan Speculative: Review salicylic_acid off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fluocinonide atherosclerosis SPECULATIVE 0.0924 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phensuximide celiac_disease SPECULATIVE 0.0924 0.11363636363636363 sulfanilamide Speculative: Review phensuximide off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. benzphetamine refractive_error SPECULATIVE 0.0924 0.1111111111111111 decamethonium Speculative: Review benzphetamine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. lisinopril urinary_bladder_cancer SPECULATIVE 0.0924 0.1111111111111111 irinotecan Speculative: Review lisinopril off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. melphalan kidney_cancer SPECULATIVE 0.0924 0.1111111111111111 tolazamide Speculative: Review melphalan off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ramipril breast_cancer SPECULATIVE 0.0924 0.10526315789473684 sotalol Speculative: Review ramipril off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. ramipril stomach_cancer SPECULATIVE 0.0924 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. trandolapril ankylosing_spondylitis SPECULATIVE 0.0924 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. vismodegib membranous_glomerulonephritis SPECULATIVE 0.0924 0.1 mefenamic_acid Speculative: Review vismodegib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. anisotropine_methylbromide ocular_cancer SPECULATIVE 0.0924 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. chlorcyclizine bone_cancer SPECULATIVE 0.0924 0.07142857142857142 alendronate Speculative: Review chlorcyclizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. floctafenine larynx_cancer SPECULATIVE 0.0924 0.05555555555555555 doxorubicin Speculative: Review floctafenine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ribavirin chronic_obstructive_pulmonary_disease SPECULATIVE 0.0924 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. methadyl_acetate hepatitis_b SPECULATIVE 0.0924 0.05263157894736842 nateglinide Speculative: Review methadyl_acetate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. calcidiol testicular_cancer SPECULATIVE 0.0924 0.05 drostanolone Speculative: Review calcidiol off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. chlorphenesin narcolepsy SPECULATIVE 0.0924 0.05 naproxen Speculative: Review chlorphenesin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. orciprenaline focal_segmental_glomerulosclerosis SPECULATIVE 0.0924 0.045454545454545456 tamsulosin Speculative: Review orciprenaline off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate gilles_de_la_tourette_syndrome SPECULATIVE 0.0924 0.044444444444444446 ethopropazine Speculative: Review adenosine_triphosphate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. metoclopramide acquired_immunodeficiency_syndrome SPECULATIVE 0.0924 0.031746031746031744 mitiglinide Speculative: Review metoclopramide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. amcinonide leprosy SPECULATIVE 0.0924 0.030303030303030304 sulfapyridine Speculative: Review amcinonide off-target effects vs leprosy mechanism. Phenotypic screen recommended. desogestrel malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review desogestrel off-target effects vs malaria mechanism. Phenotypic screen recommended. felypressin prostate_cancer SPECULATIVE 0.0924 0.0 phenylbutazone Speculative: Review felypressin off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. goserelin dilated_cardiomyopathy SPECULATIVE 0.0924 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. indomethacin prostate_cancer SPECULATIVE 0.0924 0.0 phenylbutazone Speculative: Review indomethacin off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. levonorgestrel malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review levonorgestrel off-target effects vs malaria mechanism. Phenotypic screen recommended. medroxyprogesterone_acetate malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review medroxyprogesterone_acetate off-target effects vs malaria mechanism. Phenotypic screen recommended. methadyl_acetate dilated_cardiomyopathy SPECULATIVE 0.0924 0.0 hydrocortisone Speculative: Review methadyl_acetate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. oxcarbazepine dilated_cardiomyopathy SPECULATIVE 0.0924 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pasireotide prostate_cancer SPECULATIVE 0.0924 0.0 phenylbutazone Speculative: Review pasireotide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. phenindione dilated_cardiomyopathy SPECULATIVE 0.0924 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pirbuterol malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review pirbuterol off-target effects vs malaria mechanism. Phenotypic screen recommended. salbutamol malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review salbutamol off-target effects vs malaria mechanism. Phenotypic screen recommended. trifluridine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0924 0.0 hydrocortisone Speculative: Review trifluridine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. trilostane malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review trilostane off-target effects vs malaria mechanism. Phenotypic screen recommended. zidovudine malaria SPECULATIVE 0.0924 0.0 ethotoin Speculative: Review zidovudine off-target effects vs malaria mechanism. Phenotypic screen recommended. dimetacrine alopecia_areata GAP_HIGH 0.0923 0.16666666666666666 levorphanol High-priority: Binding assay dimetacrine→?; validate in alopecia_areata cell model. Expected: similar to levorphanol (Jaccard=0.17) pseudoephedrine focal_segmental_glomerulosclerosis GAP_HIGH 0.0923 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.15) naftifine alopecia_areata SPECULATIVE 0.0923 0.14814814814814814 levorphanol Speculative: Review naftifine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. doxorubicin amyotrophic_lateral_sclerosis SPECULATIVE 0.0923 0.14285714285714285 moexipril Speculative: Review doxorubicin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. liothyronine penile_cancer SPECULATIVE 0.0923 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. docetaxel chronic_obstructive_pulmonary_disease SPECULATIVE 0.0923 0.125 medroxyprogesterone_acetate Speculative: Review docetaxel off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. flurandrenolide narcolepsy SPECULATIVE 0.0923 0.125 homatropine_methylbromide Speculative: Review flurandrenolide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. diphemanil_methylsulfate malaria SPECULATIVE 0.0923 0.10526315789473684 warfarin Speculative: Review diphemanil_methylsulfate off-target effects vs malaria mechanism. Phenotypic screen recommended. ramipril pancreatic_cancer SPECULATIVE 0.0923 0.10526315789473684 sulfadiazine Speculative: Review ramipril off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. cinnarizine intracranial_aneurysm SPECULATIVE 0.0923 0.09090909090909091 procarbazine Speculative: Review cinnarizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diazepam glaucoma SPECULATIVE 0.0923 0.08333333333333333 metaraminol Speculative: Review diazepam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fulvestrant glaucoma SPECULATIVE 0.0923 0.07692307692307693 procarbazine Speculative: Review fulvestrant off-target effects vs glaucoma mechanism. Phenotypic screen recommended. sulfapyridine alopecia_areata SPECULATIVE 0.0923 0.07142857142857142 clocortolone Speculative: Review sulfapyridine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vindesine alopecia_areata SPECULATIVE 0.0923 0.07142857142857142 fluticasone_propionate Speculative: Review vindesine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. estradiol_valeratedienogest lymphatic_system_cancer SPECULATIVE 0.0923 0.05555555555555555 tetrahydrofolic_acid Speculative: Review estradiol_valeratedienogest off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vidarabine type_1_diabetes_mellitus SPECULATIVE 0.0923 0.045454545454545456 tioguanine Speculative: Review vidarabine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. tretinoin coronary_artery_disease SPECULATIVE 0.0923 0.043478260869565216 progesterone Speculative: Review tretinoin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. l-glutamine meningioma SPECULATIVE 0.0923 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs meningioma mechanism. Phenotypic screen recommended. acenocoumarol hepatitis_b SPECULATIVE 0.0923 0.025 adenosine_triphosphate Speculative: Review acenocoumarol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. trimipramine leprosy SPECULATIVE 0.0923 0.017857142857142856 phensuximide Speculative: Review trimipramine off-target effects vs leprosy mechanism. Phenotypic screen recommended. lapatinib acquired_immunodeficiency_syndrome SPECULATIVE 0.0923 0.01639344262295082 adenosine_monophosphate Speculative: Review lapatinib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. propiomazine leprosy SPECULATIVE 0.0923 0.0 sulfapyridine Speculative: Review propiomazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. raloxifene leprosy SPECULATIVE 0.0923 0.0 sulfapyridine Speculative: Review raloxifene off-target effects vs leprosy mechanism. Phenotypic screen recommended. nateglinide chronic_kidney_failure GAP_HIGH 0.0922 0.16666666666666666 quinethazone High-priority: Binding assay nateglinide→?; validate in chronic_kidney_failure cell model. Expected: similar to quinethazone (Jaccard=0.17) phenylpropanolamine urinary_bladder_cancer GAP_HIGH 0.0922 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in urinary_bladder_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) loxapine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0922 0.16 azatadine High-priority: Binding assay loxapine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to azatadine (Jaccard=0.16) pirenzepine brain_cancer SPECULATIVE 0.0922 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pirenzepine intracranial_aneurysm SPECULATIVE 0.0922 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cyclopentolate alopecia_areata SPECULATIVE 0.0922 0.125 alclometasone Speculative: Review cyclopentolate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. menadione primary_biliary_cirrhosis SPECULATIVE 0.0922 0.125 sirolimus Speculative: Review menadione off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. mitiglinide mediastinal_cancer SPECULATIVE 0.0922 0.125 warfarin Speculative: Review mitiglinide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. trandolapril uterine_fibroid SPECULATIVE 0.0922 0.11764705882352941 doxorubicin Speculative: Review trandolapril off-target effects vs uterine_fibroid mechanism. Phenotypic screen recommended. menadione azoospermia SPECULATIVE 0.0922 0.1111111111111111 ospemifene Speculative: Review menadione off-target effects vs azoospermia mechanism. Phenotypic screen recommended. midazolam meningioma SPECULATIVE 0.0922 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs meningioma mechanism. Phenotypic screen recommended. triflupromazine atherosclerosis SPECULATIVE 0.0922 0.1 floctafenine Speculative: Review triflupromazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trandolapril membranous_glomerulonephritis SPECULATIVE 0.0922 0.08333333333333333 alvimopan Speculative: Review trandolapril off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. dexamethasone acquired_immunodeficiency_syndrome SPECULATIVE 0.0922 0.07142857142857142 lisinopril Speculative: Review dexamethasone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. chlorphenesin nicotine_dependence SPECULATIVE 0.0922 0.0625 levorphanol Speculative: Review chlorphenesin off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. orciprenaline penile_cancer SPECULATIVE 0.0922 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. vindesine atherosclerosis SPECULATIVE 0.0922 0.05555555555555555 tiaprofenic_acid Speculative: Review vindesine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. difenoxin nephrolithiasis SPECULATIVE 0.0922 0.05 proparacaine Speculative: Review difenoxin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. alfacalcidol peripheral_nervous_system_neoplasm SPECULATIVE 0.0922 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. fulvestrant atherosclerosis SPECULATIVE 0.0922 0.045454545454545456 naproxen Speculative: Review fulvestrant off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. oxaprozin dilated_cardiomyopathy SPECULATIVE 0.0922 0.045454545454545456 medrysone Speculative: Review oxaprozin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. aciclovir alopecia_areata SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine alopecia_areata SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review adenosine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. felypressin mediastinal_cancer SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. halazepam primary_biliary_cirrhosis SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review halazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. paricalcitol alopecia_areata SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pasireotide mediastinal_cancer SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. phenylephrine alopecia_areata SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review phenylephrine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. telmisartan focal_segmental_glomerulosclerosis SPECULATIVE 0.0922 0.0 methdilazine Speculative: Review telmisartan off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. theophylline pharynx_cancer SPECULATIVE 0.0922 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. vitamin_a focal_segmental_glomerulosclerosis SPECULATIVE 0.0922 0.0 methdilazine Speculative: Review vitamin_a off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. meclizine metabolic_syndrome_x GAP_HIGH 0.0921 0.19230769230769232 papaverine High-priority: Binding assay meclizine→?; validate in metabolic_syndrome_x cell model. Expected: similar to papaverine (Jaccard=0.19) tiaprofenic_acid muscle_cancer GAP_HIGH 0.0921 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in muscle_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) sorafenib obesity GAP_HIGH 0.0921 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in obesity cell model. Expected: similar to naloxone (Jaccard=0.17) liothyronine malignant_mesothelioma SPECULATIVE 0.0921 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. temazepam penile_cancer SPECULATIVE 0.0921 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. meclizine focal_segmental_glomerulosclerosis SPECULATIVE 0.0921 0.1388888888888889 naftifine Speculative: Review meclizine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. mitiglinide thymus_cancer SPECULATIVE 0.0921 0.125 warfarin Speculative: Review mitiglinide off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. nortriptyline head_and_neck_cancer SPECULATIVE 0.0921 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. nortriptyline malignant_glioma SPECULATIVE 0.0921 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. trandolapril atopic_dermatitis SPECULATIVE 0.0921 0.1111111111111111 zafirlukast Speculative: Review trandolapril off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. pargyline focal_segmental_glomerulosclerosis SPECULATIVE 0.0921 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ramipril osteoporosis SPECULATIVE 0.0921 0.10526315789473684 sotalol Speculative: Review ramipril off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. bromodiphenhydramine head_and_neck_cancer SPECULATIVE 0.0921 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bromodiphenhydramine malignant_glioma SPECULATIVE 0.0921 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cinnarizine nephrolithiasis SPECULATIVE 0.0921 0.09523809523809523 procaine Speculative: Review cinnarizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ketoprofen germ_cell_cancer SPECULATIVE 0.0921 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. alvimopan esophageal_cancer SPECULATIVE 0.0921 0.08333333333333333 voacamine Speculative: Review alvimopan off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methyltestosterone schizophrenia SPECULATIVE 0.0921 0.08333333333333333 hydromorphone Speculative: Review methyltestosterone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. anisotropine_methylbromide peripheral_nervous_system_neoplasm SPECULATIVE 0.0921 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. anisotropine_methylbromide urinary_bladder_cancer SPECULATIVE 0.0921 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. amoxapine glaucoma SPECULATIVE 0.0921 0.05128205128205128 pseudoephedrine Speculative: Review amoxapine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. calcipotriol lung_cancer SPECULATIVE 0.0921 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. calcipotriol rectum_cancer SPECULATIVE 0.0921 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. melphalan alcohol_dependence SPECULATIVE 0.0921 0.045454545454545456 levorphanol Speculative: Review melphalan off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-glutamine coronary_artery_disease SPECULATIVE 0.0921 0.031914893617021274 bezafibrate Speculative: Review l-glutamine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. testolactone leprosy SPECULATIVE 0.0921 0.027777777777777776 sulfapyridine Speculative: Review testolactone off-target effects vs leprosy mechanism. Phenotypic screen recommended. loxapine gestational_diabetes SPECULATIVE 0.0921 0.025 bezafibrate Speculative: Review loxapine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vandetanib dilated_cardiomyopathy SPECULATIVE 0.0921 0.017241379310344827 trandolapril Speculative: Review vandetanib off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. trifluoperazine sarcoma GAP_HIGH 0.092 0.22727272727272727 promazine High-priority: Binding assay trifluoperazine→?; validate in sarcoma cell model. Expected: similar to promazine (Jaccard=0.23) trifluoperazine urinary_bladder_cancer GAP_HIGH 0.092 0.2222222222222222 chlorcyclizine High-priority: Binding assay trifluoperazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to chlorcyclizine (Jaccard=0.22) phenytoin pharynx_cancer GAP_HIGH 0.092 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.22) bezafibrate breast_cancer GAP_HIGH 0.092 0.1935483870967742 naproxen High-priority: Binding assay bezafibrate→?; validate in breast_cancer cell model. Expected: similar to naproxen (Jaccard=0.19) tiaprofenic_acid lung_cancer GAP_HIGH 0.092 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in lung_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) salicylate-sodium creutzfeldt-jakob_disease GAP_HIGH 0.092 0.17647058823529413 salsalate High-priority: Binding assay salicylate-sodium→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to salsalate (Jaccard=0.18) nortriptyline melanoma SPECULATIVE 0.092 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs melanoma mechanism. Phenotypic screen recommended. phentermine thyroid_cancer SPECULATIVE 0.092 0.14285714285714285 liothyronine Speculative: Review phentermine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol head_and_neck_cancer SPECULATIVE 0.092 0.125 alclometasone Speculative: Review diethylstilbestrol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol malignant_glioma SPECULATIVE 0.092 0.125 alclometasone Speculative: Review diethylstilbestrol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pseudoephedrine malaria SPECULATIVE 0.092 0.11538461538461539 aminoglutethimide Speculative: Review pseudoephedrine off-target effects vs malaria mechanism. Phenotypic screen recommended. nortriptyline kidney_cancer SPECULATIVE 0.092 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. masoprocol focal_segmental_glomerulosclerosis SPECULATIVE 0.092 0.10344827586206896 tamsulosin Speculative: Review masoprocol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. bromodiphenhydramine kidney_cancer SPECULATIVE 0.092 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. paclitaxel malignant_glioma SPECULATIVE 0.092 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alvimopan head_and_neck_cancer SPECULATIVE 0.092 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alvimopan malignant_glioma SPECULATIVE 0.092 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pazopanib type_1_diabetes_mellitus SPECULATIVE 0.092 0.09090909090909091 gliclazide Speculative: Review pazopanib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fenoprofen gestational_diabetes SPECULATIVE 0.092 0.08 bezafibrate Speculative: Review fenoprofen off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. sulfapyridine gilles_de_la_tourette_syndrome SPECULATIVE 0.092 0.07692307692307693 meclizine Speculative: Review sulfapyridine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. clofarabine hypertension SPECULATIVE 0.092 0.0625 pitavastatin Speculative: Review clofarabine off-target effects vs hypertension mechanism. Phenotypic screen recommended. orciprenaline malignant_mesothelioma SPECULATIVE 0.092 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. alfacalcidol testicular_cancer SPECULATIVE 0.092 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. alprazolam primary_biliary_cirrhosis SPECULATIVE 0.092 0.043478260869565216 sulfaphenazole Speculative: Review alprazolam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. calcipotriol pharynx_cancer SPECULATIVE 0.092 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. l-glutamine duodenum_cancer SPECULATIVE 0.092 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. l-glutamine gallbladder_cancer SPECULATIVE 0.092 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. l-glutamine melanoma SPECULATIVE 0.092 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs melanoma mechanism. Phenotypic screen recommended. alfacalcidol larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review alfacalcidol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. benzatropine leprosy SPECULATIVE 0.092 0.0 sulfapyridine Speculative: Review benzatropine off-target effects vs leprosy mechanism. Phenotypic screen recommended. calcidiol larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review calcidiol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. calcipotriol larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review calcipotriol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ceruletide larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review ceruletide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clofarabine atherosclerosis SPECULATIVE 0.092 0.0 fenoprofen Speculative: Review clofarabine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. dihydrotachysterol larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review dihydrotachysterol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxapram larynx_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review doxapram off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxylamine atherosclerosis SPECULATIVE 0.092 0.0 fenoprofen Speculative: Review doxylamine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. doxylamine lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review doxylamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methyltestosterone lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review methyltestosterone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ritodrine lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review ritodrine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. selegiline lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review selegiline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. sulfamethizole lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review sulfamethizole off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. theophylline thyroid_cancer SPECULATIVE 0.092 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. tolazoline lymphatic_system_cancer SPECULATIVE 0.092 0.0 vinblastine Speculative: Review tolazoline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vitamin_a gilles_de_la_tourette_syndrome SPECULATIVE 0.092 0.0 loxapine Speculative: Review vitamin_a off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. trimipramine celiac_disease GAP_HIGH 0.0919 0.2 benzatropine High-priority: Binding assay trimipramine→?; validate in celiac_disease cell model. Expected: similar to benzatropine (Jaccard=0.20) triflupromazine hematologic_cancer GAP_HIGH 0.0919 0.16666666666666666 butenafine High-priority: Binding assay triflupromazine→?; validate in hematologic_cancer cell model. Expected: similar to butenafine (Jaccard=0.17) erlotinib gout SPECULATIVE 0.0919 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs gout mechanism. Phenotypic screen recommended. indecainide germ_cell_cancer SPECULATIVE 0.0919 0.125 alendronate Speculative: Review indecainide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. nortriptyline nephrolithiasis SPECULATIVE 0.0919 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenindamine primary_biliary_cirrhosis SPECULATIVE 0.0919 0.1111111111111111 benzatropine Speculative: Review phenindamine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. midazolam crohns_disease SPECULATIVE 0.0919 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. bromodiphenhydramine nephrolithiasis SPECULATIVE 0.0919 0.1 epirubicin Speculative: Review bromodiphenhydramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. raloxifene alopecia_areata SPECULATIVE 0.0919 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vinblastine alopecia_areata SPECULATIVE 0.0919 0.09090909090909091 fluticasone_propionate Speculative: Review vinblastine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. reboxetine alcohol_dependence SPECULATIVE 0.0919 0.06666666666666667 temazepam Speculative: Review reboxetine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. azatadine atherosclerosis SPECULATIVE 0.0919 0.0625 phentermine Speculative: Review azatadine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. thioproperazine bone_cancer SPECULATIVE 0.0919 0.0625 alendronate Speculative: Review thioproperazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ribavirin hypertension SPECULATIVE 0.0919 0.058823529411764705 pitavastatin Speculative: Review ribavirin off-target effects vs hypertension mechanism. Phenotypic screen recommended. clofarabine ankylosing_spondylitis SPECULATIVE 0.0919 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. calcipotriol liver_cancer SPECULATIVE 0.0919 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. sotalol alopecia_areata SPECULATIVE 0.0919 0.045454545454545456 estradiol_valeratedienogest Speculative: Review sotalol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vidarabine glaucoma SPECULATIVE 0.0919 0.045454545454545456 pirbuterol Speculative: Review vidarabine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cortisone_acetate gestational_diabetes SPECULATIVE 0.0919 0.03571428571428571 bezafibrate Speculative: Review cortisone_acetate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. azatadine gestational_diabetes SPECULATIVE 0.0919 0.0 tolazamide Speculative: Review azatadine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. benzphetamine bone_cancer SPECULATIVE 0.0919 0.0 ibandronate Speculative: Review benzphetamine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. benzphetamine gestational_diabetes SPECULATIVE 0.0919 0.0 tolazamide Speculative: Review benzphetamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. clotiazepam head_and_neck_cancer SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clotiazepam malignant_glioma SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dobutamine head_and_neck_cancer SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dobutamine malignant_glioma SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ethinyl_estradiol bone_cancer SPECULATIVE 0.0919 0.0 ibandronate Speculative: Review ethinyl_estradiol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-serine bone_cancer SPECULATIVE 0.0919 0.0 ibandronate Speculative: Review l-serine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-serine gestational_diabetes SPECULATIVE 0.0919 0.0 tolazamide Speculative: Review l-serine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lenalidomide head_and_neck_cancer SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. lenalidomide malignant_glioma SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylic_acid bone_cancer SPECULATIVE 0.0919 0.0 ibandronate Speculative: Review salicylic_acid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tenofovir head_and_neck_cancer SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tenofovir malignant_glioma SPECULATIVE 0.0919 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. tolterodine bone_cancer SPECULATIVE 0.0919 0.0 ibandronate Speculative: Review tolterodine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tolterodine gestational_diabetes SPECULATIVE 0.0919 0.0 tolazamide Speculative: Review tolterodine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ethopropazine meningioma GAP_HIGH 0.0918 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in meningioma cell model. Expected: similar to modafinil (Jaccard=0.21) reboxetine uterine_cancer GAP_HIGH 0.0918 0.2 diphenhydramine High-priority: Binding assay reboxetine→?; validate in uterine_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.20) docetaxel osteoarthritis SPECULATIVE 0.0918 0.13333333333333333 gliclazide Speculative: Review docetaxel off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. trandolapril ovarian_cancer SPECULATIVE 0.0918 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. trandolapril psoriasis SPECULATIVE 0.0918 0.1111111111111111 zafirlukast Speculative: Review trandolapril off-target effects vs psoriasis mechanism. Phenotypic screen recommended. trandolapril uterine_cancer SPECULATIVE 0.0918 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. lamivudine brain_cancer SPECULATIVE 0.0918 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lamivudine intracranial_aneurysm SPECULATIVE 0.0918 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vinblastine brain_cancer SPECULATIVE 0.0918 0.1 teniposide Speculative: Review vinblastine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vinblastine intracranial_aneurysm SPECULATIVE 0.0918 0.1 teniposide Speculative: Review vinblastine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. moricizine malaria SPECULATIVE 0.0918 0.09523809523809523 fosphenytoin Speculative: Review moricizine off-target effects vs malaria mechanism. Phenotypic screen recommended. doxorubicin focal_segmental_glomerulosclerosis SPECULATIVE 0.0918 0.09090909090909091 amsacrine Speculative: Review doxorubicin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. chlorcyclizine dilated_cardiomyopathy SPECULATIVE 0.0918 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vidarabine ankylosing_spondylitis SPECULATIVE 0.0918 0.07692307692307693 tetrahydrofolic_acid Speculative: Review vidarabine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. cinolazepam malignant_mesothelioma SPECULATIVE 0.0918 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. alitretinoin attention_deficit_hyperactivity_disorder SPECULATIVE 0.0918 0.05555555555555555 phenoxybenzamine Speculative: Review alitretinoin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. methamphetamine lymphatic_system_cancer SPECULATIVE 0.0918 0.05 lamivudine Speculative: Review methamphetamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcipotriol ankylosing_spondylitis SPECULATIVE 0.0918 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. diphenidol lymphatic_system_cancer SPECULATIVE 0.0918 0.043478260869565216 riboflavin Speculative: Review diphenidol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. buclizine dilated_cardiomyopathy SPECULATIVE 0.0918 0.03125 medrysone Speculative: Review buclizine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. levorphanol gestational_diabetes SPECULATIVE 0.0918 0.03125 bezafibrate Speculative: Review levorphanol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dobutamine kidney_cancer SPECULATIVE 0.0918 0.0 oxybuprocaine Speculative: Review dobutamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. tenofovir kidney_cancer SPECULATIVE 0.0918 0.0 oxybuprocaine Speculative: Review tenofovir off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. tiaprofenic_acid urinary_bladder_cancer GAP_HIGH 0.0917 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in urinary_bladder_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) dexamethasone hematologic_cancer GAP_HIGH 0.0917 0.16666666666666666 megestrol_acetate High-priority: Binding assay dexamethasone→?; validate in hematologic_cancer cell model. Expected: similar to megestrol_acetate (Jaccard=0.17) dimetacrine malaria SPECULATIVE 0.0917 0.1388888888888889 modafinil Speculative: Review dimetacrine off-target effects vs malaria mechanism. Phenotypic screen recommended. l-histidine germ_cell_cancer SPECULATIVE 0.0917 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate narcolepsy SPECULATIVE 0.0917 0.08333333333333333 salicylic_acid Speculative: Review cyproterone_acetate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. ketorolac meningioma SPECULATIVE 0.0917 0.08333333333333333 vindesine Speculative: Review ketorolac off-target effects vs meningioma mechanism. Phenotypic screen recommended. ethynodiol membranous_glomerulonephritis SPECULATIVE 0.0917 0.07692307692307693 calcitriol Speculative: Review ethynodiol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. alverine larynx_cancer SPECULATIVE 0.0917 0.07142857142857142 epirubicin Speculative: Review alverine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. calcidiol polycystic_ovary_syndrome SPECULATIVE 0.0917 0.05 drostanolone Speculative: Review calcidiol off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. calcipotriol urinary_bladder_cancer SPECULATIVE 0.0917 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. calcidiol sarcoma SPECULATIVE 0.0917 0.045454545454545456 fentanyl Speculative: Review calcidiol off-target effects vs sarcoma mechanism. Phenotypic screen recommended. calcipotriol thyroid_cancer SPECULATIVE 0.0917 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. l-glutamine sclerosing_cholangitis SPECULATIVE 0.0917 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. lamivudine dilated_cardiomyopathy SPECULATIVE 0.0917 0.03571428571428571 progesterone Speculative: Review lamivudine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. chlorthalidone acquired_immunodeficiency_syndrome SPECULATIVE 0.0917 0.0 mitiglinide Speculative: Review chlorthalidone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clotiazepam nephrolithiasis SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. dobutamine nephrolithiasis SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review dobutamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. midazolam dilated_cardiomyopathy SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. nelarabine refractive_error SPECULATIVE 0.0917 0.0 pirbuterol Speculative: Review nelarabine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. tenofovir nephrolithiasis SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. theophylline pancreatitis SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. zolpidem nephrolithiasis SPECULATIVE 0.0917 0.0 hydrocortisone Speculative: Review zolpidem off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. olsalazine uterine_cancer GAP_HIGH 0.0916 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in uterine_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) tiaprofenic_acid duodenum_cancer GAP_HIGH 0.0916 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in duodenum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.17) tiaprofenic_acid gallbladder_cancer GAP_HIGH 0.0916 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in gallbladder_cancer cell model. Expected: similar to bromfenac (Jaccard=0.17) liothyronine duodenum_cancer GAP_HIGH 0.0916 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in duodenum_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) liothyronine gallbladder_cancer GAP_HIGH 0.0916 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in gallbladder_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) liothyronine melanoma GAP_HIGH 0.0916 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in melanoma cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) mequitazine larynx_cancer SPECULATIVE 0.0916 0.125 alendronate Speculative: Review mequitazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salicylic_acid malignant_mesothelioma SPECULATIVE 0.0916 0.125 melphalan Speculative: Review salicylic_acid off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phensuximide penile_cancer SPECULATIVE 0.0916 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. mazindol esophageal_cancer SPECULATIVE 0.0916 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. pazopanib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0916 0.11764705882352941 dexamethasone Speculative: Review pazopanib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. salsalate malaria SPECULATIVE 0.0916 0.11428571428571428 modafinil Speculative: Review salsalate off-target effects vs malaria mechanism. Phenotypic screen recommended. megestrol_acetate glaucoma SPECULATIVE 0.0916 0.1111111111111111 dinoprost_tromethamine Speculative: Review megestrol_acetate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ramipril osteoarthritis SPECULATIVE 0.0916 0.10526315789473684 sotalol Speculative: Review ramipril off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. trandolapril lung_cancer SPECULATIVE 0.0916 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. paclitaxel celiac_disease SPECULATIVE 0.0916 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. anisotropine_methylbromide stomach_cancer SPECULATIVE 0.0916 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. l-tyrosine alcohol_dependence SPECULATIVE 0.0916 0.06666666666666667 midazolam Speculative: Review l-tyrosine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. sulfaphenazole esophageal_cancer SPECULATIVE 0.0916 0.05555555555555555 fluticasone_propionate Speculative: Review sulfaphenazole off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. ribavirin narcolepsy SPECULATIVE 0.0916 0.045454545454545456 isoprenaline Speculative: Review ribavirin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. calcipotriol epilepsy_syndrome SPECULATIVE 0.0916 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. l-glutamine prostate_cancer SPECULATIVE 0.0916 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. cortisone_acetate leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review cortisone_acetate off-target effects vs leprosy mechanism. Phenotypic screen recommended. fluorometholone leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review fluorometholone off-target effects vs leprosy mechanism. Phenotypic screen recommended. flurandrenolide leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review flurandrenolide off-target effects vs leprosy mechanism. Phenotypic screen recommended. loteprednol leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review loteprednol off-target effects vs leprosy mechanism. Phenotypic screen recommended. mequitazine leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review mequitazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. prednicarbate leprosy SPECULATIVE 0.0916 0.0 sulfapyridine Speculative: Review prednicarbate off-target effects vs leprosy mechanism. Phenotypic screen recommended. theophylline salivary_gland_cancer SPECULATIVE 0.0916 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. l-tyrosine prostate_cancer GAP_HIGH 0.0915 0.18 fenoprofen High-priority: Binding assay l-tyrosine→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.18) phenylpropanolamine uterine_cancer GAP_HIGH 0.0915 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in uterine_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) sorafenib type_2_diabetes_mellitus GAP_HIGH 0.0915 0.16666666666666666 naloxone High-priority: Binding assay sorafenib→?; validate in type_2_diabetes_mellitus cell model. Expected: similar to naloxone (Jaccard=0.17) phenylpropanolamine thyroid_cancer GAP_HIGH 0.0915 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in thyroid_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) liothyronine meningioma SPECULATIVE 0.0915 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs meningioma mechanism. Phenotypic screen recommended. liothyronine head_and_neck_cancer SPECULATIVE 0.0915 0.125 methimazole Speculative: Review liothyronine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aceprometazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0915 0.12 diphenhydramine Speculative: Review aceprometazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. midazolam prostate_cancer SPECULATIVE 0.0915 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. bepridil larynx_cancer SPECULATIVE 0.0915 0.1 epirubicin Speculative: Review bepridil off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ketoprofen penile_cancer SPECULATIVE 0.0915 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. phenprocoumon larynx_cancer SPECULATIVE 0.0915 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. voacamine hepatitis_b SPECULATIVE 0.0915 0.08333333333333333 alvimopan Speculative: Review voacamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. anisotropine_methylbromide pancreatic_cancer SPECULATIVE 0.0915 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. teniposide gilles_de_la_tourette_syndrome SPECULATIVE 0.0915 0.07142857142857142 trifluoperazine Speculative: Review teniposide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ketoprofen type_1_diabetes_mellitus SPECULATIVE 0.0915 0.06666666666666667 olsalazine Speculative: Review ketoprofen off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. naproxen alopecia_areata SPECULATIVE 0.0915 0.058823529411764705 alclometasone Speculative: Review naproxen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alcaftadine chronic_kidney_failure SPECULATIVE 0.0915 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. dihydrotachysterol urinary_bladder_cancer SPECULATIVE 0.0915 0.043478260869565216 drostanolone Speculative: Review dihydrotachysterol off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. liothyronine dilated_cardiomyopathy SPECULATIVE 0.0915 0.041666666666666664 progesterone Speculative: Review liothyronine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. conjugated_estrogens glaucoma SPECULATIVE 0.0915 0.0 pirbuterol Speculative: Review conjugated_estrogens off-target effects vs glaucoma mechanism. Phenotypic screen recommended. telmisartan glaucoma SPECULATIVE 0.0915 0.0 pirbuterol Speculative: Review telmisartan off-target effects vs glaucoma mechanism. Phenotypic screen recommended. tenofovir celiac_disease SPECULATIVE 0.0915 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. theophylline muscle_cancer SPECULATIVE 0.0915 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. phenytoin salivary_gland_cancer GAP_HIGH 0.0914 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.22) warfarin primary_biliary_cirrhosis GAP_HIGH 0.0914 0.2 cyclopentolate High-priority: Binding assay warfarin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to cyclopentolate (Jaccard=0.20) mequitazine thyroid_cancer GAP_HIGH 0.0914 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in thyroid_cancer cell model. Expected: similar to isopropamide (Jaccard=0.18) loxapine pharynx_cancer GAP_HIGH 0.0914 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) phenylpropanolamine sarcoma GAP_HIGH 0.0914 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in sarcoma cell model. Expected: similar to lacosamide (Jaccard=0.17) phenacemide membranous_glomerulonephritis GAP_HIGH 0.0914 0.16 mitiglinide High-priority: Binding assay phenacemide→?; validate in membranous_glomerulonephritis cell model. Expected: similar to mitiglinide (Jaccard=0.16) carbinoxamine germ_cell_cancer GAP_HIGH 0.0914 0.15384615384615385 tamoxifen High-priority: Binding assay carbinoxamine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.15) liothyronine kidney_cancer SPECULATIVE 0.0914 0.125 acetaminophen Speculative: Review liothyronine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. doxorubicin azoospermia SPECULATIVE 0.0914 0.10714285714285714 pseudoephedrine Speculative: Review doxorubicin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. clonidine brain_cancer SPECULATIVE 0.0914 0.1 histamine_phosphate Speculative: Review clonidine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. loteprednol gilles_de_la_tourette_syndrome SPECULATIVE 0.0914 0.1 carbinoxamine Speculative: Review loteprednol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. cinnarizine head_and_neck_cancer SPECULATIVE 0.0914 0.09090909090909091 procarbazine Speculative: Review cinnarizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cinnarizine malignant_glioma SPECULATIVE 0.0914 0.09090909090909091 procarbazine Speculative: Review cinnarizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fludiazepam glaucoma SPECULATIVE 0.0914 0.09090909090909091 practolol Speculative: Review fludiazepam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. mestranol chronic_kidney_failure SPECULATIVE 0.0914 0.08 toremifene Speculative: Review mestranol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. clofarabine metabolic_syndrome_x SPECULATIVE 0.0914 0.0625 pitavastatin Speculative: Review clofarabine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. orciprenaline meningioma SPECULATIVE 0.0914 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs meningioma mechanism. Phenotypic screen recommended. propafenone malaria SPECULATIVE 0.0914 0.05405405405405406 modafinil Speculative: Review propafenone off-target effects vs malaria mechanism. Phenotypic screen recommended. adenosine_triphosphate refractive_error SPECULATIVE 0.0914 0.04878048780487805 l-carnitine Speculative: Review adenosine_triphosphate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. alfacalcidol sarcoma SPECULATIVE 0.0914 0.045454545454545456 fentanyl Speculative: Review alfacalcidol off-target effects vs sarcoma mechanism. Phenotypic screen recommended. meclizine bone_cancer SPECULATIVE 0.0914 0.041666666666666664 clodronate Speculative: Review meclizine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. chlorpromazine bone_cancer SPECULATIVE 0.0914 0.04 alendronate Speculative: Review chlorpromazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. floctafenine malaria SPECULATIVE 0.0914 0.037037037037037035 sulfapyridine Speculative: Review floctafenine off-target effects vs malaria mechanism. Phenotypic screen recommended. olsalazine gestational_diabetes SPECULATIVE 0.0914 0.03225806451612903 bezafibrate Speculative: Review olsalazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-glutamine mediastinal_cancer SPECULATIVE 0.0914 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. alitretinoin hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review alitretinoin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alprazolam hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review alprazolam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diclofenamide hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review diclofenamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. droperidol hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review droperidol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fluspirilene hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review fluspirilene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. furosemide hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review furosemide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. lenalidomide chronic_kidney_failure SPECULATIVE 0.0914 0.0 cinolazepam Speculative: Review lenalidomide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. nandrolone_phenpropionate hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review nandrolone_phenpropionate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. nelarabine chronic_kidney_failure SPECULATIVE 0.0914 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. stanozolol hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review stanozolol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tenofovir chronic_kidney_failure SPECULATIVE 0.0914 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. theophylline lung_cancer SPECULATIVE 0.0914 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. theophylline rectum_cancer SPECULATIVE 0.0914 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. tretinoin hepatitis_b SPECULATIVE 0.0914 0.0 mitiglinide Speculative: Review tretinoin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fenoprofen primary_biliary_cirrhosis GAP_HIGH 0.0913 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to melphalan (Jaccard=0.26) reboxetine vulva_cancer GAP_HIGH 0.0913 0.2 diphenhydramine High-priority: Binding assay reboxetine→?; validate in vulva_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.20) doxepin primary_biliary_cirrhosis GAP_HIGH 0.0913 0.16666666666666666 tamoxifen High-priority: Binding assay doxepin→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.17) liothyronine sclerosing_cholangitis GAP_HIGH 0.0913 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in sclerosing_cholangitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) pirenzepine head_and_neck_cancer SPECULATIVE 0.0913 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pirenzepine malignant_glioma SPECULATIVE 0.0913 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. temazepam meningioma SPECULATIVE 0.0913 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. meclizine glaucoma SPECULATIVE 0.0913 0.13793103448275862 polythiazide Speculative: Review meclizine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. tiaprofenic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0913 0.13333333333333333 alvimopan Speculative: Review tiaprofenic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. desipramine glaucoma SPECULATIVE 0.0913 0.125 choline Speculative: Review desipramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. indecainide penile_cancer SPECULATIVE 0.0913 0.125 alendronate Speculative: Review indecainide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. alimemazine atherosclerosis SPECULATIVE 0.0913 0.1111111111111111 warfarin Speculative: Review alimemazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. mefenamic_acid brain_cancer SPECULATIVE 0.0913 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mefenamic_acid intracranial_aneurysm SPECULATIVE 0.0913 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. midazolam mediastinal_cancer SPECULATIVE 0.0913 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. sorafenib alopecia_areata SPECULATIVE 0.0913 0.1 dexamethasone Speculative: Review sorafenib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ketoprofen malignant_mesothelioma SPECULATIVE 0.0913 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. ethynodiol narcolepsy SPECULATIVE 0.0913 0.08695652173913043 acetylsalicylic_acid Speculative: Review ethynodiol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. anisotropine_methylbromide uterine_cancer SPECULATIVE 0.0913 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. cabazitaxel alopecia_areata SPECULATIVE 0.0913 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ribavirin metabolic_syndrome_x SPECULATIVE 0.0913 0.058823529411764705 pitavastatin Speculative: Review ribavirin off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. alfacalcidol polycystic_ovary_syndrome SPECULATIVE 0.0913 0.05 drostanolone Speculative: Review alfacalcidol off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. methdilazine bone_cancer SPECULATIVE 0.0913 0.047619047619047616 alendronate Speculative: Review methdilazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. calcipotriol salivary_gland_cancer SPECULATIVE 0.0913 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. clofedanol leprosy SPECULATIVE 0.0913 0.029411764705882353 sulfamethizole Speculative: Review clofedanol off-target effects vs leprosy mechanism. Phenotypic screen recommended. l-glutamine thymus_cancer SPECULATIVE 0.0913 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. allylestrenol malaria SPECULATIVE 0.0913 0.0 ethotoin Speculative: Review allylestrenol off-target effects vs malaria mechanism. Phenotypic screen recommended. epirubicin bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review epirubicin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. epirubicin gestational_diabetes SPECULATIVE 0.0913 0.0 tolazamide Speculative: Review epirubicin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. erlotinib bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review erlotinib off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. hydrochlorothiazide brain_cancer SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review hydrochlorothiazide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. hydrochlorothiazide intracranial_aneurysm SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review hydrochlorothiazide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. mefenamic_acid bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review mefenamic_acid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mepenzolate bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review mepenzolate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mepenzolate gestational_diabetes SPECULATIVE 0.0913 0.0 tolazamide Speculative: Review mepenzolate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. methyltestosterone malaria SPECULATIVE 0.0913 0.0 ethotoin Speculative: Review methyltestosterone off-target effects vs malaria mechanism. Phenotypic screen recommended. phenprocoumon bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review phenprocoumon off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. podofilox bone_cancer SPECULATIVE 0.0913 0.0 ibandronate Speculative: Review podofilox off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. podofilox gestational_diabetes SPECULATIVE 0.0913 0.0 tolazamide Speculative: Review podofilox off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. remifentanil brain_cancer SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. remifentanil intracranial_aneurysm SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. telmisartan brain_cancer SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review telmisartan off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. telmisartan intracranial_aneurysm SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review telmisartan off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. theophylline ocular_cancer SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. vitamin_a brain_cancer SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vitamin_a intracranial_aneurysm SPECULATIVE 0.0913 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dexamethasone panic_disorder GAP_HIGH 0.0912 0.18181818181818182 naloxone High-priority: Binding assay dexamethasone→?; validate in panic_disorder cell model. Expected: similar to naloxone (Jaccard=0.18) dexamethasone schizophrenia GAP_HIGH 0.0912 0.18181818181818182 naloxone High-priority: Binding assay dexamethasone→?; validate in schizophrenia cell model. Expected: similar to naloxone (Jaccard=0.18) fentanyl focal_segmental_glomerulosclerosis GAP_HIGH 0.0912 0.17391304347826086 promethazine High-priority: Binding assay fentanyl→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to promethazine (Jaccard=0.17) pirenzepine kidney_cancer SPECULATIVE 0.0912 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. warfarin hepatitis_b SPECULATIVE 0.0912 0.14285714285714285 alvimopan Speculative: Review warfarin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. nortriptyline hematologic_cancer SPECULATIVE 0.0912 0.13333333333333333 thioproperazine Speculative: Review nortriptyline off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. phentermine germ_cell_cancer SPECULATIVE 0.0912 0.11764705882352941 melphalan Speculative: Review phentermine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. isoprenaline focal_segmental_glomerulosclerosis SPECULATIVE 0.0912 0.1111111111111111 acetophenazine Speculative: Review isoprenaline off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sorafenib brain_cancer SPECULATIVE 0.0912 0.1111111111111111 methotrexate Speculative: Review sorafenib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. sorafenib intracranial_aneurysm SPECULATIVE 0.0912 0.1111111111111111 methotrexate Speculative: Review sorafenib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. trandolapril testicular_cancer SPECULATIVE 0.0912 0.1111111111111111 irinotecan Speculative: Review trandolapril off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. midazolam thymus_cancer SPECULATIVE 0.0912 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. menadione celiac_disease SPECULATIVE 0.0912 0.1 sorafenib Speculative: Review menadione off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. azatadine type_1_diabetes_mellitus SPECULATIVE 0.0912 0.09090909090909091 atropine Speculative: Review azatadine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. aprindine intracranial_aneurysm SPECULATIVE 0.0912 0.08333333333333333 prednicarbate Speculative: Review aprindine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. docetaxel intracranial_aneurysm SPECULATIVE 0.0912 0.08333333333333333 spironolactone Speculative: Review docetaxel off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. anisotropine_methylbromide sarcoma SPECULATIVE 0.0912 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs sarcoma mechanism. Phenotypic screen recommended. nitrazepam brain_cancer SPECULATIVE 0.0912 0.0625 levorphanol Speculative: Review nitrazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bepotastine germ_cell_cancer SPECULATIVE 0.0912 0.058823529411764705 toremifene Speculative: Review bepotastine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. drostanolone glaucoma SPECULATIVE 0.0912 0.05 choline Speculative: Review drostanolone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. calcipotriol stomach_cancer SPECULATIVE 0.0912 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. calcipotriol muscle_cancer SPECULATIVE 0.0912 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. l-glutamine ankylosing_spondylitis SPECULATIVE 0.0912 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. l-serine dilated_cardiomyopathy SPECULATIVE 0.0912 0.015151515151515152 trandolapril Speculative: Review l-serine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. aciclovir esophageal_cancer SPECULATIVE 0.0912 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. adinazolam esophageal_cancer SPECULATIVE 0.0912 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. flurazepam esophageal_cancer SPECULATIVE 0.0912 0.0 hydrocortisone Speculative: Review flurazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. paricalcitol esophageal_cancer SPECULATIVE 0.0912 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. theophylline liver_cancer SPECULATIVE 0.0912 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. phenytoin ocular_cancer GAP_HIGH 0.0911 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.22) pheniramine glaucoma GAP_HIGH 0.0911 0.15789473684210525 metaraminol High-priority: Binding assay pheniramine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.16) cyclopentolate idiopathic_pulmonary_fibrosis GAP_HIGH 0.0911 0.15384615384615385 atomoxetine High-priority: Binding assay cyclopentolate→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.15) pirenzepine nephrolithiasis SPECULATIVE 0.0911 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. flurandrenolide creutzfeldt-jakob_disease SPECULATIVE 0.0911 0.125 homatropine_methylbromide Speculative: Review flurandrenolide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. menadione duodenum_cancer SPECULATIVE 0.0911 0.125 capecitabine Speculative: Review menadione off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. menadione gallbladder_cancer SPECULATIVE 0.0911 0.125 capecitabine Speculative: Review menadione off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. paclitaxel ankylosing_spondylitis SPECULATIVE 0.0911 0.125 cyproterone_acetate Speculative: Review paclitaxel off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. clonidine malignant_mesothelioma SPECULATIVE 0.0911 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. pazopanib narcolepsy SPECULATIVE 0.0911 0.11764705882352941 l-arginine Speculative: Review pazopanib off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. l-histidine penile_cancer SPECULATIVE 0.0911 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. ethynodiol creutzfeldt-jakob_disease SPECULATIVE 0.0911 0.09090909090909091 raloxifene Speculative: Review ethynodiol off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. sulfaphenazole creutzfeldt-jakob_disease SPECULATIVE 0.0911 0.08695652173913043 salsalate Speculative: Review sulfaphenazole off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. diazepam refractive_error SPECULATIVE 0.0911 0.08333333333333333 metaraminol Speculative: Review diazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. antazoline brain_cancer SPECULATIVE 0.0911 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. antazoline intracranial_aneurysm SPECULATIVE 0.0911 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. sulfaphenazole intracranial_aneurysm SPECULATIVE 0.0911 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. afatinib brain_cancer SPECULATIVE 0.0911 0.05555555555555555 megestrol_acetate Speculative: Review afatinib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. afatinib intracranial_aneurysm SPECULATIVE 0.0911 0.05555555555555555 dexamethasone Speculative: Review afatinib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. ribavirin asthma SPECULATIVE 0.0911 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs asthma mechanism. Phenotypic screen recommended. ribavirin atopic_dermatitis SPECULATIVE 0.0911 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. droxidopa gestational_diabetes SPECULATIVE 0.0911 0.05263157894736842 tolbutamide Speculative: Review droxidopa off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. sulfadiazine alopecia_areata SPECULATIVE 0.0911 0.05 fluticasone_propionate Speculative: Review sulfadiazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. calcipotriol pancreatic_cancer SPECULATIVE 0.0911 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. carbidopa gestational_diabetes SPECULATIVE 0.0911 0.047619047619047616 tolbutamide Speculative: Review carbidopa off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vidarabine refractive_error SPECULATIVE 0.0911 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. adenosine_monophosphate type_1_diabetes_mellitus SPECULATIVE 0.0911 0.046875 sulpiride Speculative: Review adenosine_monophosphate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. oxazepam esophageal_cancer SPECULATIVE 0.0911 0.045454545454545456 toremifene Speculative: Review oxazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. anileridine alopecia_areata SPECULATIVE 0.0911 0.043478260869565216 levorphanol Speculative: Review anileridine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. calcipotriol ocular_cancer SPECULATIVE 0.0911 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. olsalazine testicular_cancer GAP_HIGH 0.091 0.1875 thalidomide High-priority: Binding assay olsalazine→?; validate in testicular_cancer cell model. Expected: similar to thalidomide (Jaccard=0.19) propiomazine pharynx_cancer GAP_HIGH 0.091 0.15789473684210525 fentanyl High-priority: Binding assay propiomazine→?; validate in pharynx_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) nortriptyline thyroid_cancer SPECULATIVE 0.091 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. pargyline membranous_glomerulonephritis SPECULATIVE 0.091 0.11764705882352941 mitiglinide Speculative: Review pargyline off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. l-histidine crohns_disease SPECULATIVE 0.091 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. lamivudine head_and_neck_cancer SPECULATIVE 0.091 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. lamivudine malignant_glioma SPECULATIVE 0.091 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vinblastine head_and_neck_cancer SPECULATIVE 0.091 0.1 teniposide Speculative: Review vinblastine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. olsalazine lymphatic_system_cancer SPECULATIVE 0.091 0.0967741935483871 glucosamine Speculative: Review olsalazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. dexamethasone atherosclerosis SPECULATIVE 0.091 0.09090909090909091 acetylsalicylic_acid Speculative: Review dexamethasone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. loperamide dilated_cardiomyopathy SPECULATIVE 0.091 0.09090909090909091 hydrocortisone Speculative: Review loperamide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fulvestrant refractive_error SPECULATIVE 0.091 0.07692307692307693 procarbazine Speculative: Review fulvestrant off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trandolapril azoospermia SPECULATIVE 0.091 0.07692307692307693 salicylate-sodium Speculative: Review trandolapril off-target effects vs azoospermia mechanism. Phenotypic screen recommended. aminosalicylic_acid dilated_cardiomyopathy SPECULATIVE 0.091 0.07142857142857142 trandolapril Speculative: Review aminosalicylic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clofarabine obesity SPECULATIVE 0.091 0.0625 pitavastatin Speculative: Review clofarabine off-target effects vs obesity mechanism. Phenotypic screen recommended. difenoxin primary_biliary_cirrhosis SPECULATIVE 0.091 0.0625 tamoxifen Speculative: Review difenoxin off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. isocarboxazid prostate_cancer SPECULATIVE 0.091 0.058823529411764705 fenoprofen Speculative: Review isocarboxazid off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. ribavirin allergic_rhinitis SPECULATIVE 0.091 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. adenosine_monophosphate brain_cancer SPECULATIVE 0.091 0.05 epirubicin Speculative: Review adenosine_monophosphate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate intracranial_aneurysm SPECULATIVE 0.091 0.05 epirubicin Speculative: Review adenosine_monophosphate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. calcipotriol uterine_cancer SPECULATIVE 0.091 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. terbutaline focal_segmental_glomerulosclerosis SPECULATIVE 0.091 0.043478260869565216 tamsulosin Speculative: Review terbutaline off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alitretinoin coronary_artery_disease SPECULATIVE 0.091 0.04 progesterone Speculative: Review alitretinoin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. clobazam dilated_cardiomyopathy SPECULATIVE 0.091 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. theophylline peripheral_nervous_system_neoplasm SPECULATIVE 0.091 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. theophylline urinary_bladder_cancer SPECULATIVE 0.091 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. ethopropazine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0909 0.21052631578947367 atomoxetine High-priority: Binding assay ethopropazine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to atomoxetine (Jaccard=0.21) meclizine osteoporosis GAP_HIGH 0.0909 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in osteoporosis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) dexamethasone psoriasis GAP_HIGH 0.0909 0.18181818181818182 epinephrine High-priority: Binding assay dexamethasone→?; validate in psoriasis cell model. Expected: similar to epinephrine (Jaccard=0.18) phenylpropanolamine vaginal_cancer GAP_HIGH 0.0909 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in vaginal_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) phenylpropanolamine vulva_cancer GAP_HIGH 0.0909 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in vulva_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) phenylpropanolamine lung_cancer GAP_HIGH 0.0909 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in lung_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) phenylpropanolamine rectum_cancer GAP_HIGH 0.0909 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in rectum_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) ifenprodil liver_cancer GAP_HIGH 0.0909 0.15625 diphenhydramine High-priority: Binding assay ifenprodil→?; validate in liver_cancer cell model. Expected: similar to diphenhydramine (Jaccard=0.16) megestrol_acetate creutzfeldt-jakob_disease SPECULATIVE 0.0909 0.14285714285714285 dextromethorphan Speculative: Review megestrol_acetate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. bromfenac gilles_de_la_tourette_syndrome SPECULATIVE 0.0909 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. dexamethasone focal_segmental_glomerulosclerosis SPECULATIVE 0.0909 0.125 bumetanide Speculative: Review dexamethasone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. docetaxel atopic_dermatitis SPECULATIVE 0.0909 0.125 medroxyprogesterone_acetate Speculative: Review docetaxel off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. l-histidine malignant_mesothelioma SPECULATIVE 0.0909 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. chlordiazepoxide larynx_cancer SPECULATIVE 0.0909 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. topotecan membranous_glomerulonephritis SPECULATIVE 0.0909 0.09090909090909091 moricizine Speculative: Review topotecan off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. aprindine nephrolithiasis SPECULATIVE 0.0909 0.08695652173913043 procaine Speculative: Review aprindine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. adenine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0909 0.08333333333333333 dienestrol Speculative: Review adenine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. anisotropine_methylbromide skin_cancer SPECULATIVE 0.0909 0.07692307692307693 practolol Speculative: Review anisotropine_methylbromide off-target effects vs skin_cancer mechanism. Phenotypic screen recommended. indapamide primary_biliary_cirrhosis SPECULATIVE 0.0909 0.07142857142857142 melphalan Speculative: Review indapamide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. vindesine focal_segmental_glomerulosclerosis SPECULATIVE 0.0909 0.07142857142857142 promethazine Speculative: Review vindesine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ketoprofen brain_cancer SPECULATIVE 0.0909 0.06666666666666667 doxorubicin Speculative: Review ketoprofen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ketoprofen intracranial_aneurysm SPECULATIVE 0.0909 0.06666666666666667 doxorubicin Speculative: Review ketoprofen off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. amcinonide gestational_diabetes SPECULATIVE 0.0909 0.06060606060606061 bezafibrate Speculative: Review amcinonide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-serine atherosclerosis SPECULATIVE 0.0909 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. adenine alopecia_areata SPECULATIVE 0.0909 0.058823529411764705 estradiol_valeratedienogest Speculative: Review adenine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ribavirin obesity SPECULATIVE 0.0909 0.058823529411764705 pitavastatin Speculative: Review ribavirin off-target effects vs obesity mechanism. Phenotypic screen recommended. adenosine_triphosphate germ_cell_cancer SPECULATIVE 0.0909 0.05714285714285714 epirubicin Speculative: Review adenosine_triphosphate off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. mestranol larynx_cancer SPECULATIVE 0.0909 0.05555555555555555 cabazitaxel Speculative: Review mestranol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sotalol nephrolithiasis SPECULATIVE 0.0909 0.05555555555555555 cabazitaxel Speculative: Review sotalol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. sulfadiazine gilles_de_la_tourette_syndrome SPECULATIVE 0.0909 0.05555555555555555 midazolam Speculative: Review sulfadiazine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. terbutaline chronic_kidney_failure SPECULATIVE 0.0909 0.05263157894736842 salsalate Speculative: Review terbutaline off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. teniposide atherosclerosis SPECULATIVE 0.0909 0.043478260869565216 acetylsalicylic_acid Speculative: Review teniposide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. acenocoumarol type_1_diabetes_mellitus SPECULATIVE 0.0909 0.034482758620689655 bezafibrate Speculative: Review acenocoumarol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. alcaftadine acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review alcaftadine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alfacalcidol alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alimemazine leprosy SPECULATIVE 0.0909 0.0 sulfapyridine Speculative: Review alimemazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. anileridine acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review anileridine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. anisotropine_methylbromide acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review anisotropine_methylbromide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. bepotastine acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review bepotastine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. betamethasone leprosy SPECULATIVE 0.0909 0.0 sulfapyridine Speculative: Review betamethasone off-target effects vs leprosy mechanism. Phenotypic screen recommended. calcidiol alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. calcipotriol alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. dihydrotachysterol alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. doxapram alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review doxapram off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ethylmorphine lymphatic_system_cancer SPECULATIVE 0.0909 0.0 vinblastine Speculative: Review ethylmorphine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. flunarizine acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review flunarizine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ketoprofen acquired_immunodeficiency_syndrome SPECULATIVE 0.0909 0.0 mitiglinide Speculative: Review ketoprofen off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. olanzapine alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review olanzapine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. practolol lymphatic_system_cancer SPECULATIVE 0.0909 0.0 vinblastine Speculative: Review practolol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. promethazine leprosy SPECULATIVE 0.0909 0.0 sulfapyridine Speculative: Review promethazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. ziprasidone alopecia_areata SPECULATIVE 0.0909 0.0 hydrocortisone Speculative: Review ziprasidone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenytoin peripheral_nervous_system_neoplasm GAP_HIGH 0.0908 0.21875 phenylbutazone High-priority: Binding assay phenytoin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.22) tiaprofenic_acid sarcoma GAP_HIGH 0.0908 0.18421052631578946 fenoprofen High-priority: Binding assay tiaprofenic_acid→?; validate in sarcoma cell model. Expected: similar to fenoprofen (Jaccard=0.18) trifluoperazine germ_cell_cancer GAP_HIGH 0.0908 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in germ_cell_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) phenylpropanolamine testicular_cancer GAP_HIGH 0.0908 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in testicular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) trimipramine hepatitis_b GAP_HIGH 0.0908 0.15789473684210525 alvimopan High-priority: Binding assay trimipramine→?; validate in hepatitis_b cell model. Expected: similar to alvimopan (Jaccard=0.16) liothyronine ankylosing_spondylitis GAP_HIGH 0.0908 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in ankylosing_spondylitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) tiaprofenic_acid glaucoma SPECULATIVE 0.0908 0.13333333333333333 l-tryptophan Speculative: Review tiaprofenic_acid off-target effects vs glaucoma mechanism. Phenotypic screen recommended. menadione sclerosing_cholangitis SPECULATIVE 0.0908 0.125 sirolimus Speculative: Review menadione off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. fludiazepam germ_cell_cancer SPECULATIVE 0.0908 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. trandolapril breast_cancer SPECULATIVE 0.0908 0.10526315789473684 sotalol Speculative: Review trandolapril off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. trandolapril stomach_cancer SPECULATIVE 0.0908 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. cabazitaxel glaucoma SPECULATIVE 0.0908 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs glaucoma mechanism. Phenotypic screen recommended. dextroamphetamine brain_cancer SPECULATIVE 0.0908 0.07692307692307693 epirubicin Speculative: Review dextroamphetamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dextroamphetamine intracranial_aneurysm SPECULATIVE 0.0908 0.07692307692307693 epirubicin Speculative: Review dextroamphetamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. abacavir psoriasis SPECULATIVE 0.0908 0.06666666666666667 tetrahydrofolic_acid Speculative: Review abacavir off-target effects vs psoriasis mechanism. Phenotypic screen recommended. lapatinib glaucoma SPECULATIVE 0.0908 0.058823529411764705 masoprocol Speculative: Review lapatinib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. menadione atherosclerosis SPECULATIVE 0.0908 0.058823529411764705 phenylpropanolamine Speculative: Review menadione off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vismodegib larynx_cancer SPECULATIVE 0.0908 0.058823529411764705 procarbazine Speculative: Review vismodegib off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ribavirin psoriasis SPECULATIVE 0.0908 0.05555555555555555 dipivefrin Speculative: Review ribavirin off-target effects vs psoriasis mechanism. Phenotypic screen recommended. vismodegib hepatitis_b SPECULATIVE 0.0908 0.05555555555555555 trandolapril Speculative: Review vismodegib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. podofilox atherosclerosis SPECULATIVE 0.0908 0.05 acetylsalicylic_acid Speculative: Review podofilox off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. olanzapine primary_biliary_cirrhosis SPECULATIVE 0.0908 0.041666666666666664 bezafibrate Speculative: Review olanzapine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. l-glutamine pancreatitis SPECULATIVE 0.0908 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. methadone leprosy SPECULATIVE 0.0908 0.034482758620689655 sulfamethizole Speculative: Review methadone off-target effects vs leprosy mechanism. Phenotypic screen recommended. fludrocortisone leprosy SPECULATIVE 0.0908 0.02702702702702703 sulfapyridine Speculative: Review fludrocortisone off-target effects vs leprosy mechanism. Phenotypic screen recommended. adenosine_triphosphate alopecia_areata SPECULATIVE 0.0908 0.02631578947368421 dexamethasone Speculative: Review adenosine_triphosphate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. drostanolone malaria SPECULATIVE 0.0908 0.017857142857142856 phensuximide Speculative: Review drostanolone off-target effects vs malaria mechanism. Phenotypic screen recommended. aciclovir focal_segmental_glomerulosclerosis SPECULATIVE 0.0908 0.0 methdilazine Speculative: Review aciclovir off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. adenosine focal_segmental_glomerulosclerosis SPECULATIVE 0.0908 0.0 methdilazine Speculative: Review adenosine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alprazolam larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review alprazolam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diclofenamide larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review diclofenamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. dipivefrin larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review dipivefrin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. droperidol larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review droperidol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. emtricitabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0908 0.0 hydrocortisone Speculative: Review emtricitabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0908 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. fluspirilene larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review fluspirilene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. norelgestromin larynx_cancer SPECULATIVE 0.0908 0.0 vinblastine Speculative: Review norelgestromin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. fenoprofen intracranial_aneurysm GAP_HIGH 0.0907 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in intracranial_aneurysm cell model. Expected: similar to procarbazine (Jaccard=0.21) meclizine systemic_lupus_erythematosus GAP_HIGH 0.0907 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) loxapine salivary_gland_cancer GAP_HIGH 0.0907 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) phenylpropanolamine vascular_cancer GAP_HIGH 0.0907 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in vascular_cancer cell model. Expected: similar to lacosamide (Jaccard=0.17) phenylpropanolamine liver_cancer GAP_HIGH 0.0907 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in liver_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) diphemanil_methylsulfate intracranial_aneurysm SPECULATIVE 0.0907 0.125 flurandrenolide Speculative: Review diphemanil_methylsulfate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phensuximide meningioma SPECULATIVE 0.0907 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs meningioma mechanism. Phenotypic screen recommended. trandolapril pancreatic_cancer SPECULATIVE 0.0907 0.10526315789473684 sulfadiazine Speculative: Review trandolapril off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. podofilox crohns_disease SPECULATIVE 0.0907 0.1 amitriptyline Speculative: Review podofilox off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. ketoprofen meningioma SPECULATIVE 0.0907 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs meningioma mechanism. Phenotypic screen recommended. cinnarizine brain_cancer SPECULATIVE 0.0907 0.08333333333333333 fluticasone_propionate Speculative: Review cinnarizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fulvestrant membranous_glomerulonephritis SPECULATIVE 0.0907 0.08333333333333333 calcitriol Speculative: Review fulvestrant off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. masoprocol hepatitis_b SPECULATIVE 0.0907 0.08 nateglinide Speculative: Review masoprocol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. anisotropine_methylbromide testicular_cancer SPECULATIVE 0.0907 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide vaginal_cancer SPECULATIVE 0.0907 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide vulva_cancer SPECULATIVE 0.0907 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. estradiol malaria SPECULATIVE 0.0907 0.07142857142857142 talbutal Speculative: Review estradiol off-target effects vs malaria mechanism. Phenotypic screen recommended. midazolam type_1_diabetes_mellitus SPECULATIVE 0.0907 0.07142857142857142 glisoxepide Speculative: Review midazolam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. orciprenaline prostate_cancer SPECULATIVE 0.0907 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. cinnarizine atherosclerosis SPECULATIVE 0.0907 0.05 naproxen Speculative: Review cinnarizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. etoricoxib dilated_cardiomyopathy SPECULATIVE 0.0907 0.05 rimexolone Speculative: Review etoricoxib off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenytoin gestational_diabetes SPECULATIVE 0.0907 0.046511627906976744 bezafibrate Speculative: Review phenytoin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cyproheptadine chronic_kidney_failure SPECULATIVE 0.0907 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. calcipotriol peripheral_nervous_system_neoplasm SPECULATIVE 0.0907 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. azacitidine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0907 0.041666666666666664 dyphylline Speculative: Review azacitidine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. acenocoumarol glaucoma SPECULATIVE 0.0907 0.03571428571428571 pseudoephedrine Speculative: Review acenocoumarol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. amoxapine alopecia_areata SPECULATIVE 0.0907 0.03125 levorphanol Speculative: Review amoxapine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine gilles_de_la_tourette_syndrome SPECULATIVE 0.0907 0.0 loxapine Speculative: Review adenosine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. bromodiphenhydramine bone_cancer SPECULATIVE 0.0907 0.0 ibandronate Speculative: Review bromodiphenhydramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. bromodiphenhydramine gestational_diabetes SPECULATIVE 0.0907 0.0 tolazamide Speculative: Review bromodiphenhydramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. deferasirox bone_cancer SPECULATIVE 0.0907 0.0 ibandronate Speculative: Review deferasirox off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. desmopressin creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review desmopressin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. entecavir alcohol_dependence SPECULATIVE 0.0907 0.0 midazolam Speculative: Review entecavir off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. felypressin creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review felypressin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. menadione gestational_diabetes SPECULATIVE 0.0907 0.0 tolazamide Speculative: Review menadione off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. mitiglinide bone_cancer SPECULATIVE 0.0907 0.0 ibandronate Speculative: Review mitiglinide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. pasireotide creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review pasireotide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. terlipressin creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review terlipressin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. trifluridine creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review trifluridine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. vapreotide creutzfeldt-jakob_disease SPECULATIVE 0.0907 0.0 loxapine Speculative: Review vapreotide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. meclizine psoriatic_arthritis GAP_HIGH 0.0906 0.19230769230769232 papaverine High-priority: Binding assay meclizine→?; validate in psoriatic_arthritis cell model. Expected: similar to papaverine (Jaccard=0.19) mequitazine primary_biliary_cirrhosis GAP_HIGH 0.0906 0.16666666666666666 atropine High-priority: Binding assay mequitazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to atropine (Jaccard=0.17) tiaprofenic_acid germ_cell_cancer SPECULATIVE 0.0906 0.15 melphalan Speculative: Review tiaprofenic_acid off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. liothyronine mediastinal_cancer SPECULATIVE 0.0906 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol kidney_cancer SPECULATIVE 0.0906 0.11764705882352941 levorphanol Speculative: Review diethylstilbestrol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. clonidine germ_cell_cancer SPECULATIVE 0.0906 0.1111111111111111 melphalan Speculative: Review clonidine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. nateglinide malaria SPECULATIVE 0.0906 0.1111111111111111 tranylcypromine Speculative: Review nateglinide off-target effects vs malaria mechanism. Phenotypic screen recommended. trandolapril osteoporosis SPECULATIVE 0.0906 0.10526315789473684 sotalol Speculative: Review trandolapril off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. mefenamic_acid glaucoma SPECULATIVE 0.0906 0.1 olsalazine Speculative: Review mefenamic_acid off-target effects vs glaucoma mechanism. Phenotypic screen recommended. methotrexate alopecia_areata SPECULATIVE 0.0906 0.09090909090909091 dexamethasone Speculative: Review methotrexate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vinblastine focal_segmental_glomerulosclerosis SPECULATIVE 0.0906 0.09090909090909091 promethazine Speculative: Review vinblastine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. cabazitaxel intracranial_aneurysm SPECULATIVE 0.0906 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phentermine larynx_cancer SPECULATIVE 0.0906 0.08333333333333333 alendronate Speculative: Review phentermine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide vascular_cancer SPECULATIVE 0.0906 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol atherosclerosis SPECULATIVE 0.0906 0.07692307692307693 clofibrate Speculative: Review diethylstilbestrol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. chloroprocaine refractive_error SPECULATIVE 0.0906 0.07142857142857142 metaraminol Speculative: Review chloroprocaine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. adenosine_monophosphate germ_cell_cancer SPECULATIVE 0.0906 0.06666666666666667 gemcitabine Speculative: Review adenosine_monophosphate off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate crohns_disease SPECULATIVE 0.0906 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. doxorubicin malaria SPECULATIVE 0.0906 0.05555555555555555 caffeine Speculative: Review doxorubicin off-target effects vs malaria mechanism. Phenotypic screen recommended. orciprenaline kidney_cancer SPECULATIVE 0.0906 0.045454545454545456 quinacrine Speculative: Review orciprenaline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ribavirin crohns_disease SPECULATIVE 0.0906 0.038461538461538464 phenylpropanolamine Speculative: Review ribavirin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. s-adenosylmethionine brain_cancer SPECULATIVE 0.0906 0.03773584905660377 methotrexate Speculative: Review s-adenosylmethionine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine intracranial_aneurysm SPECULATIVE 0.0906 0.03773584905660377 methotrexate Speculative: Review s-adenosylmethionine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. theophylline asthma SPECULATIVE 0.0906 0.0 cinolazepam Speculative: Review theophylline off-target effects vs asthma mechanism. Phenotypic screen recommended. meclizine skin_cancer GAP_HIGH 0.0905 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in skin_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) mequitazine urinary_bladder_cancer GAP_HIGH 0.0905 0.18181818181818182 isopropamide High-priority: Binding assay mequitazine→?; validate in urinary_bladder_cancer cell model. Expected: similar to isopropamide (Jaccard=0.18) amitriptyline primary_biliary_cirrhosis GAP_HIGH 0.0905 0.16666666666666666 tamoxifen High-priority: Binding assay amitriptyline→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.17) loxapine ocular_cancer GAP_HIGH 0.0905 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.17) warfarin focal_segmental_glomerulosclerosis GAP_HIGH 0.0905 0.15789473684210525 fenoprofen High-priority: Binding assay warfarin→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to fenoprofen (Jaccard=0.16) liothyronine thymus_cancer SPECULATIVE 0.0905 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. nateglinide focal_segmental_glomerulosclerosis SPECULATIVE 0.0905 0.14285714285714285 metolazone Speculative: Review nateglinide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. nortriptyline muscle_cancer SPECULATIVE 0.0905 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. indecainide meningioma SPECULATIVE 0.0905 0.125 alendronate Speculative: Review indecainide off-target effects vs meningioma mechanism. Phenotypic screen recommended. prednisolone membranous_glomerulonephritis SPECULATIVE 0.0905 0.1111111111111111 calcitriol Speculative: Review prednisolone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lacosamide esophageal_cancer SPECULATIVE 0.0905 0.10526315789473684 melphalan Speculative: Review lacosamide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. clonidine kidney_cancer SPECULATIVE 0.0905 0.1 histamine_phosphate Speculative: Review clonidine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. norethindrone larynx_cancer SPECULATIVE 0.0905 0.1 methimazole Speculative: Review norethindrone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pargyline esophageal_cancer SPECULATIVE 0.0905 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. menadione brain_cancer SPECULATIVE 0.0905 0.09090909090909091 methotrexate Speculative: Review menadione off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. menadione intracranial_aneurysm SPECULATIVE 0.0905 0.09090909090909091 methotrexate Speculative: Review menadione off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. indecainide malaria SPECULATIVE 0.0905 0.07407407407407407 modafinil Speculative: Review indecainide off-target effects vs malaria mechanism. Phenotypic screen recommended. methamphetamine alopecia_areata SPECULATIVE 0.0905 0.06666666666666667 dexamethasone Speculative: Review methamphetamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. methotrexate atherosclerosis SPECULATIVE 0.0905 0.06666666666666667 olsalazine Speculative: Review methotrexate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phenoxybenzamine intracranial_aneurysm SPECULATIVE 0.0905 0.06666666666666667 prednicarbate Speculative: Review phenoxybenzamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. orciprenaline mediastinal_cancer SPECULATIVE 0.0905 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. fluoxymesterone gestational_diabetes SPECULATIVE 0.0905 0.05714285714285714 bezafibrate Speculative: Review fluoxymesterone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. folic_acid alcohol_dependence SPECULATIVE 0.0905 0.05 levorphanol Speculative: Review folic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. methyldopa gestational_diabetes SPECULATIVE 0.0905 0.05 tolbutamide Speculative: Review methyldopa off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tetrahydrofolic_acid alcohol_dependence SPECULATIVE 0.0905 0.05 levorphanol Speculative: Review tetrahydrofolic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. vidarabine celiac_disease SPECULATIVE 0.0905 0.045454545454545456 tioguanine Speculative: Review vidarabine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. clofarabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0905 0.041666666666666664 dyphylline Speculative: Review clofarabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. regadenoson chronic_obstructive_pulmonary_disease SPECULATIVE 0.0905 0.038461538461538464 dyphylline Speculative: Review regadenoson off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. l-glutamine lung_cancer SPECULATIVE 0.0905 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. l-glutamine rectum_cancer SPECULATIVE 0.0905 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. clofarabine azoospermia SPECULATIVE 0.0905 0.03125 procaine Speculative: Review clofarabine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. adinazolam type_1_diabetes_mellitus SPECULATIVE 0.0905 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. theophylline colon_cancer SPECULATIVE 0.0905 0.0 flurazepam Speculative: Review theophylline off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. theophylline stomach_cancer SPECULATIVE 0.0905 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. phenylbutazone primary_biliary_cirrhosis GAP_HIGH 0.0904 0.2222222222222222 tamoxifen High-priority: Binding assay phenylbutazone→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.22) warfarin liver_cancer GAP_HIGH 0.0904 0.21052631578947367 chloroprocaine High-priority: Binding assay warfarin→?; validate in liver_cancer cell model. Expected: similar to chloroprocaine (Jaccard=0.21) methadone type_1_diabetes_mellitus GAP_HIGH 0.0904 0.20833333333333334 benzatropine High-priority: Binding assay methadone→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.21) phenylpropanolamine uterine_fibroid GAP_HIGH 0.0904 0.16666666666666666 lacosamide High-priority: Binding assay phenylpropanolamine→?; validate in uterine_fibroid cell model. Expected: similar to lacosamide (Jaccard=0.17) cyclopentolate pharynx_cancer GAP_HIGH 0.0904 0.16 methadone High-priority: Binding assay cyclopentolate→?; validate in pharynx_cancer cell model. Expected: similar to methadone (Jaccard=0.16) estrone glaucoma GAP_HIGH 0.0904 0.15384615384615385 carboprost_tromethamine High-priority: Binding assay estrone→?; validate in glaucoma cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.15) liothyronine pancreatitis GAP_HIGH 0.0904 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in pancreatitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) dexamethasone membranous_glomerulonephritis SPECULATIVE 0.0904 0.14285714285714285 adefovir_dipivoxil Speculative: Review dexamethasone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. atomoxetine refractive_error SPECULATIVE 0.0904 0.13333333333333333 clonidine Speculative: Review atomoxetine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phentermine gout SPECULATIVE 0.0904 0.125 cyclandelate Speculative: Review phentermine off-target effects vs gout mechanism. Phenotypic screen recommended. phentermine malignant_mesothelioma SPECULATIVE 0.0904 0.11764705882352941 melphalan Speculative: Review phentermine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. sorafenib head_and_neck_cancer SPECULATIVE 0.0904 0.1111111111111111 methotrexate Speculative: Review sorafenib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. sorafenib malignant_glioma SPECULATIVE 0.0904 0.1111111111111111 methotrexate Speculative: Review sorafenib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. mestranol amyotrophic_lateral_sclerosis SPECULATIVE 0.0904 0.10714285714285714 fludrocortisone Speculative: Review mestranol off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. mefenamic_acid head_and_neck_cancer SPECULATIVE 0.0904 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. mefenamic_acid malignant_glioma SPECULATIVE 0.0904 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lapatinib osteoarthritis SPECULATIVE 0.0904 0.1 dexamethasone Speculative: Review lapatinib off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. aprindine head_and_neck_cancer SPECULATIVE 0.0904 0.08333333333333333 prednicarbate Speculative: Review aprindine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aprindine malignant_glioma SPECULATIVE 0.0904 0.08333333333333333 prednicarbate Speculative: Review aprindine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. eplerenone larynx_cancer SPECULATIVE 0.0904 0.07692307692307693 teniposide Speculative: Review eplerenone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. temazepam malaria SPECULATIVE 0.0904 0.07692307692307693 antipyrine Speculative: Review temazepam off-target effects vs malaria mechanism. Phenotypic screen recommended. orciprenaline thymus_cancer SPECULATIVE 0.0904 0.0625 ifenprodil Speculative: Review orciprenaline off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. sulfaphenazole brain_cancer SPECULATIVE 0.0904 0.05555555555555555 fluticasone_propionate Speculative: Review sulfaphenazole off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alimemazine alcohol_dependence SPECULATIVE 0.0904 0.05263157894736842 temazepam Speculative: Review alimemazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. calcipotriol testicular_cancer SPECULATIVE 0.0904 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. ribavirin creutzfeldt-jakob_disease SPECULATIVE 0.0904 0.045454545454545456 phenylephrine Speculative: Review ribavirin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. propafenone atherosclerosis SPECULATIVE 0.0904 0.044444444444444446 fenoprofen Speculative: Review propafenone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. s-adenosylmethionine celiac_disease SPECULATIVE 0.0904 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. hydrochlorothiazide head_and_neck_cancer SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review hydrochlorothiazide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. hydrochlorothiazide malignant_glioma SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review hydrochlorothiazide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. remifentanil head_and_neck_cancer SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. remifentanil malignant_glioma SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. telmisartan head_and_neck_cancer SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review telmisartan off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. telmisartan malignant_glioma SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review telmisartan off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. theophylline pancreatic_cancer SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. vitamin_a head_and_neck_cancer SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. vitamin_a malignant_glioma SPECULATIVE 0.0904 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. warfarin duodenum_cancer GAP_HIGH 0.0903 0.2 cyclopentolate High-priority: Binding assay warfarin→?; validate in duodenum_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) warfarin gallbladder_cancer GAP_HIGH 0.0903 0.2 cyclopentolate High-priority: Binding assay warfarin→?; validate in gallbladder_cancer cell model. Expected: similar to cyclopentolate (Jaccard=0.20) propiomazine salivary_gland_cancer GAP_HIGH 0.0903 0.15789473684210525 fentanyl High-priority: Binding assay propiomazine→?; validate in salivary_gland_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) estradiol amyotrophic_lateral_sclerosis GAP_HIGH 0.0903 0.15384615384615385 fludrocortisone High-priority: Binding assay estradiol→?; validate in amyotrophic_lateral_sclerosis cell model. Expected: similar to fludrocortisone (Jaccard=0.15) bezafibrate glaucoma SPECULATIVE 0.0903 0.13043478260869565 chlorphenesin Speculative: Review bezafibrate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. l-histidine primary_biliary_cirrhosis SPECULATIVE 0.0903 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. megestrol_acetate refractive_error SPECULATIVE 0.0903 0.1111111111111111 dinoprost_tromethamine Speculative: Review megestrol_acetate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. sorafenib kidney_cancer SPECULATIVE 0.0903 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. l-histidine meningioma SPECULATIVE 0.0903 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs meningioma mechanism. Phenotypic screen recommended. mefenamic_acid kidney_cancer SPECULATIVE 0.0903 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. indecainide type_1_diabetes_mellitus SPECULATIVE 0.0903 0.1 cyclopentolate Speculative: Review indecainide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. acetylsalicylic_acid alopecia_areata SPECULATIVE 0.0903 0.0967741935483871 progesterone Speculative: Review acetylsalicylic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. amoxapine pharynx_cancer SPECULATIVE 0.0903 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide uterine_fibroid SPECULATIVE 0.0903 0.07692307692307693 phenacemide Speculative: Review anisotropine_methylbromide off-target effects vs uterine_fibroid mechanism. Phenotypic screen recommended. antazoline head_and_neck_cancer SPECULATIVE 0.0903 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. antazoline malignant_glioma SPECULATIVE 0.0903 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cinnarizine focal_segmental_glomerulosclerosis SPECULATIVE 0.0903 0.07692307692307693 alimemazine Speculative: Review cinnarizine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. methamphetamine intracranial_aneurysm SPECULATIVE 0.0903 0.07692307692307693 epirubicin Speculative: Review methamphetamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cinolazepam mediastinal_cancer SPECULATIVE 0.0903 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. sulfapyridine focal_segmental_glomerulosclerosis SPECULATIVE 0.0903 0.06896551724137931 mefenamic_acid Speculative: Review sulfapyridine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. droxidopa dilated_cardiomyopathy SPECULATIVE 0.0903 0.06666666666666667 milrinone Speculative: Review droxidopa off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. anisotropine_methylbromide prostate_cancer SPECULATIVE 0.0903 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. sulfaphenazole head_and_neck_cancer SPECULATIVE 0.0903 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. sulfaphenazole malignant_glioma SPECULATIVE 0.0903 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cyclopentolate dilated_cardiomyopathy SPECULATIVE 0.0903 0.05555555555555555 rimexolone Speculative: Review cyclopentolate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ribavirin alzheimers_disease SPECULATIVE 0.0903 0.05 orciprenaline Speculative: Review ribavirin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. ribavirin parkinsons_disease SPECULATIVE 0.0903 0.05 orciprenaline Speculative: Review ribavirin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. alcaftadine azoospermia SPECULATIVE 0.0903 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. olsalazine dilated_cardiomyopathy SPECULATIVE 0.0903 0.045454545454545456 rimexolone Speculative: Review olsalazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. adenine malaria SPECULATIVE 0.0903 0.043478260869565216 phensuximide Speculative: Review adenine off-target effects vs malaria mechanism. Phenotypic screen recommended. l-glutamine liver_cancer SPECULATIVE 0.0903 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. azelastine dilated_cardiomyopathy SPECULATIVE 0.0903 0.0 hydrocortisone Speculative: Review azelastine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. dienestrol hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review dienestrol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. estazolam hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review estazolam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide coronary_artery_disease SPECULATIVE 0.0903 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. fludiazepam dilated_cardiomyopathy SPECULATIVE 0.0903 0.0 hydrocortisone Speculative: Review fludiazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. gefitinib dilated_cardiomyopathy SPECULATIVE 0.0903 0.0 hydrocortisone Speculative: Review gefitinib off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. levomilnacipran hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review levomilnacipran off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. metaraminol hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review metaraminol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. milnacipran hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review milnacipran off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pimozide hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review pimozide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. remifentanil kidney_cancer SPECULATIVE 0.0903 0.0 oxybuprocaine Speculative: Review remifentanil off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. theophylline ulcerative_colitis SPECULATIVE 0.0903 0.0 loxapine Speculative: Review theophylline off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. theophylline uterine_cancer SPECULATIVE 0.0903 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. trilostane hepatitis_b SPECULATIVE 0.0903 0.0 mitiglinide Speculative: Review trilostane off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fenoprofen duodenum_cancer GAP_HIGH 0.0902 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in duodenum_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) fenoprofen gallbladder_cancer GAP_HIGH 0.0902 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in gallbladder_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) trifluoperazine penile_cancer GAP_HIGH 0.0902 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in penile_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) gefitinib hematologic_cancer GAP_HIGH 0.0902 0.15492957746478872 ponatinib High-priority: Binding assay gefitinib→?; validate in hematologic_cancer cell model. Expected: similar to ponatinib (Jaccard=0.15) methotrexate crohns_disease SPECULATIVE 0.0902 0.125 tioguanine Speculative: Review methotrexate off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. paclitaxel nicotine_dependence SPECULATIVE 0.0902 0.125 naloxone Speculative: Review paclitaxel off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. fenoprofen acquired_immunodeficiency_syndrome SPECULATIVE 0.0902 0.12195121951219512 nateglinide Speculative: Review fenoprofen off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. vismodegib urinary_bladder_cancer SPECULATIVE 0.0902 0.11764705882352941 fluticasone_propionate Speculative: Review vismodegib off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. naftifine atherosclerosis SPECULATIVE 0.0902 0.1111111111111111 warfarin Speculative: Review naftifine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. rimexolone atherosclerosis SPECULATIVE 0.0902 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. fludiazepam penile_cancer SPECULATIVE 0.0902 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. mefenamic_acid nephrolithiasis SPECULATIVE 0.0902 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. midazolam melanoma SPECULATIVE 0.0902 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs melanoma mechanism. Phenotypic screen recommended. dextroamphetamine penile_cancer SPECULATIVE 0.0902 0.09090909090909091 topotecan Speculative: Review dextroamphetamine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salicylic_acid alopecia_areata SPECULATIVE 0.0902 0.08333333333333333 cyproterone_acetate Speculative: Review salicylic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. antazoline kidney_cancer SPECULATIVE 0.0902 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. midazolam kidney_cancer SPECULATIVE 0.0902 0.07692307692307693 sulfamethizole Speculative: Review midazolam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cinolazepam thymus_cancer SPECULATIVE 0.0902 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. diphenhydramine dilated_cardiomyopathy SPECULATIVE 0.0902 0.07317073170731707 hydrocortisone Speculative: Review diphenhydramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. diazepam brain_cancer SPECULATIVE 0.0902 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diazepam intracranial_aneurysm SPECULATIVE 0.0902 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clonidine lymphatic_system_cancer SPECULATIVE 0.0902 0.058823529411764705 tetrahydrofolic_acid Speculative: Review clonidine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phensuximide lymphatic_system_cancer SPECULATIVE 0.0902 0.05555555555555555 riboflavin Speculative: Review phensuximide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. testolactone gestational_diabetes SPECULATIVE 0.0902 0.05555555555555555 bezafibrate Speculative: Review testolactone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ribavirin amyotrophic_lateral_sclerosis SPECULATIVE 0.0902 0.05 orciprenaline Speculative: Review ribavirin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. sulfadiazine esophageal_cancer SPECULATIVE 0.0902 0.05 fluticasone_propionate Speculative: Review sulfadiazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. l-serine acquired_immunodeficiency_syndrome SPECULATIVE 0.0902 0.03125 mitiglinide Speculative: Review l-serine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aciclovir glaucoma SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review aciclovir off-target effects vs glaucoma mechanism. Phenotypic screen recommended. adenosine glaucoma SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review adenosine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. chlordiazepoxide gestational_diabetes SPECULATIVE 0.0902 0.0 tolazamide Speculative: Review chlordiazepoxide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. conjugated_estrogens refractive_error SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review conjugated_estrogens off-target effects vs refractive_error mechanism. Phenotypic screen recommended. emtricitabine narcolepsy SPECULATIVE 0.0902 0.0 phenylbutazone Speculative: Review emtricitabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide narcolepsy SPECULATIVE 0.0902 0.0 phenylbutazone Speculative: Review flavin_adenine_dinucleotide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. hydromorphone malaria SPECULATIVE 0.0902 0.0 ethotoin Speculative: Review hydromorphone off-target effects vs malaria mechanism. Phenotypic screen recommended. prednisolone bone_cancer SPECULATIVE 0.0902 0.0 ibandronate Speculative: Review prednisolone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. remifentanil nephrolithiasis SPECULATIVE 0.0902 0.0 hydrocortisone Speculative: Review remifentanil off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. remifentanil refractive_error SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review remifentanil off-target effects vs refractive_error mechanism. Phenotypic screen recommended. telmisartan refractive_error SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review telmisartan off-target effects vs refractive_error mechanism. Phenotypic screen recommended. tenofovir azoospermia SPECULATIVE 0.0902 0.0 phenylbutazone Speculative: Review tenofovir off-target effects vs azoospermia mechanism. Phenotypic screen recommended. theophylline ovarian_cancer SPECULATIVE 0.0902 0.0 flurazepam Speculative: Review theophylline off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. theophylline sarcoma SPECULATIVE 0.0902 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs sarcoma mechanism. Phenotypic screen recommended. tioguanine gestational_diabetes SPECULATIVE 0.0902 0.0 tolazamide Speculative: Review tioguanine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. topotecan bone_cancer SPECULATIVE 0.0902 0.0 ibandronate Speculative: Review topotecan off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tropicamide refractive_error SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review tropicamide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vitamin_a refractive_error SPECULATIVE 0.0902 0.0 pirbuterol Speculative: Review vitamin_a off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenylbutazone duodenum_cancer GAP_HIGH 0.0901 0.22727272727272727 clozapine High-priority: Binding assay phenylbutazone→?; validate in duodenum_cancer cell model. Expected: similar to clozapine (Jaccard=0.23) phenylbutazone gallbladder_cancer GAP_HIGH 0.0901 0.22727272727272727 clozapine High-priority: Binding assay phenylbutazone→?; validate in gallbladder_cancer cell model. Expected: similar to clozapine (Jaccard=0.23) trimipramine germ_cell_cancer GAP_HIGH 0.0901 0.2 tamoxifen High-priority: Binding assay trimipramine→?; validate in germ_cell_cancer cell model. Expected: similar to tamoxifen (Jaccard=0.20) tiaprofenic_acid rectum_cancer GAP_HIGH 0.0901 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in rectum_cancer cell model. Expected: similar to bromfenac (Jaccard=0.17) dexamethasone ankylosing_spondylitis GAP_HIGH 0.0901 0.16666666666666666 megestrol_acetate High-priority: Binding assay dexamethasone→?; validate in ankylosing_spondylitis cell model. Expected: similar to megestrol_acetate (Jaccard=0.17) dimetacrine brain_cancer GAP_HIGH 0.0901 0.16666666666666666 levorphanol High-priority: Binding assay dimetacrine→?; validate in brain_cancer cell model. Expected: similar to levorphanol (Jaccard=0.17) loxapine peripheral_nervous_system_neoplasm GAP_HIGH 0.0901 0.16666666666666666 phenylbutazone High-priority: Binding assay loxapine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.17) propiomazine ocular_cancer GAP_HIGH 0.0901 0.15789473684210525 fentanyl High-priority: Binding assay propiomazine→?; validate in ocular_cancer cell model. Expected: similar to fentanyl (Jaccard=0.16) liothyronine lung_cancer GAP_HIGH 0.0901 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in lung_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) liothyronine rectum_cancer GAP_HIGH 0.0901 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in rectum_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) pseudoephedrine chronic_kidney_failure GAP_HIGH 0.0901 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in chronic_kidney_failure cell model. Expected: similar to fenoprofen (Jaccard=0.15) naftifine glaucoma SPECULATIVE 0.0901 0.14705882352941177 bevantolol Speculative: Review naftifine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. nortriptyline urinary_bladder_cancer SPECULATIVE 0.0901 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. erlotinib ankylosing_spondylitis SPECULATIVE 0.0901 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. nateglinide larynx_cancer SPECULATIVE 0.0901 0.125 alendronate Speculative: Review nateglinide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salicylic_acid mediastinal_cancer SPECULATIVE 0.0901 0.125 melphalan Speculative: Review salicylic_acid off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. promethazine atherosclerosis SPECULATIVE 0.0901 0.11764705882352941 warfarin Speculative: Review promethazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. salsalate hepatitis_b SPECULATIVE 0.0901 0.11764705882352941 alvimopan Speculative: Review salsalate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. l-histidine coronary_artery_disease SPECULATIVE 0.0901 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. fludiazepam refractive_error SPECULATIVE 0.0901 0.09090909090909091 practolol Speculative: Review fludiazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vindesine narcolepsy SPECULATIVE 0.0901 0.09090909090909091 ketoprofen Speculative: Review vindesine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. antazoline nephrolithiasis SPECULATIVE 0.0901 0.07692307692307693 epirubicin Speculative: Review antazoline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. diazepam kidney_cancer SPECULATIVE 0.0901 0.07692307692307693 quinacrine Speculative: Review diazepam off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ketoprofen head_and_neck_cancer SPECULATIVE 0.0901 0.06666666666666667 doxorubicin Speculative: Review ketoprofen off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ketoprofen malignant_glioma SPECULATIVE 0.0901 0.06666666666666667 doxorubicin Speculative: Review ketoprofen off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clofarabine psoriasis SPECULATIVE 0.0901 0.05555555555555555 tioguanine Speculative: Review clofarabine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. adenosine_monophosphate head_and_neck_cancer SPECULATIVE 0.0901 0.05 epirubicin Speculative: Review adenosine_monophosphate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate malignant_glioma SPECULATIVE 0.0901 0.05 epirubicin Speculative: Review adenosine_monophosphate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alcaftadine membranous_glomerulonephritis SPECULATIVE 0.0901 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. pheniramine bone_cancer SPECULATIVE 0.0901 0.043478260869565216 alendronate Speculative: Review pheniramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-glutamine urinary_bladder_cancer SPECULATIVE 0.0901 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. cinolazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0901 0.0 mitiglinide Speculative: Review cinolazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. diazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0901 0.0 mitiglinide Speculative: Review diazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. trifluridine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0901 0.0 hydrocortisone Speculative: Review trifluridine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. meclizine systemic_scleroderma GAP_HIGH 0.09 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in systemic_scleroderma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) phenylpropanolamine colon_cancer GAP_HIGH 0.09 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in colon_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) phenylpropanolamine stomach_cancer GAP_HIGH 0.09 0.15789473684210525 l-dopa High-priority: Binding assay phenylpropanolamine→?; validate in stomach_cancer cell model. Expected: similar to l-dopa (Jaccard=0.16) naftifine brain_cancer SPECULATIVE 0.09 0.14814814814814814 levorphanol Speculative: Review naftifine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. meclizine nephrolithiasis SPECULATIVE 0.09 0.13793103448275862 polythiazide Speculative: Review meclizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. meclizine refractive_error SPECULATIVE 0.09 0.13793103448275862 polythiazide Speculative: Review meclizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenacemide glaucoma SPECULATIVE 0.09 0.13793103448275862 phenylpropanolamine Speculative: Review phenacemide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. desipramine refractive_error SPECULATIVE 0.09 0.125 choline Speculative: Review desipramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. salicylic_acid thymus_cancer SPECULATIVE 0.09 0.125 melphalan Speculative: Review salicylic_acid off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. spironolactone larynx_cancer SPECULATIVE 0.09 0.125 methimazole Speculative: Review spironolactone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tamoxifen atherosclerosis SPECULATIVE 0.09 0.125 warfarin Speculative: Review tamoxifen off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. bromfenac hepatitis_b SPECULATIVE 0.09 0.1111111111111111 alvimopan Speculative: Review bromfenac off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clonidine penile_cancer SPECULATIVE 0.09 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. nortriptyline germ_cell_cancer SPECULATIVE 0.09 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. sunitinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.09 0.1111111111111111 dexamethasone Speculative: Review sunitinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. moricizine alopecia_areata SPECULATIVE 0.09 0.10526315789473684 levorphanol Speculative: Review moricizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trandolapril osteoarthritis SPECULATIVE 0.09 0.10526315789473684 sotalol Speculative: Review trandolapril off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. acetophenazine esophageal_cancer SPECULATIVE 0.09 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. podofilox gout SPECULATIVE 0.09 0.1 doxepin Speculative: Review podofilox off-target effects vs gout mechanism. Phenotypic screen recommended. ketoprofen prostate_cancer SPECULATIVE 0.09 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. prednisolone gilles_de_la_tourette_syndrome SPECULATIVE 0.09 0.09090909090909091 carbinoxamine Speculative: Review prednisolone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. salicylic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.09 0.09090909090909091 trimipramine Speculative: Review salicylic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. cinolazepam salivary_gland_cancer SPECULATIVE 0.09 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. estradiol larynx_cancer SPECULATIVE 0.09 0.08333333333333333 vincristine Speculative: Review estradiol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mestranol membranous_glomerulonephritis SPECULATIVE 0.09 0.08 toremifene Speculative: Review mestranol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenylpropanolamine lymphatic_system_cancer SPECULATIVE 0.09 0.07692307692307693 streptozocin Speculative: Review phenylpropanolamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. sulfapyridine chronic_kidney_failure SPECULATIVE 0.09 0.07692307692307693 methyclothiazide Speculative: Review sulfapyridine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. vidarabine psoriasis SPECULATIVE 0.09 0.07692307692307693 tetrahydrofolic_acid Speculative: Review vidarabine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. sulfapyridine brain_cancer SPECULATIVE 0.09 0.07142857142857142 clocortolone Speculative: Review sulfapyridine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. sulfapyridine intracranial_aneurysm SPECULATIVE 0.09 0.07142857142857142 clocortolone Speculative: Review sulfapyridine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. procarbazine malaria SPECULATIVE 0.09 0.058823529411764705 warfarin Speculative: Review procarbazine off-target effects vs malaria mechanism. Phenotypic screen recommended. terbutaline penile_cancer SPECULATIVE 0.09 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. drostanolone refractive_error SPECULATIVE 0.09 0.05 choline Speculative: Review drostanolone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ribavirin ankylosing_spondylitis SPECULATIVE 0.09 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. orciprenaline nephrolithiasis SPECULATIVE 0.09 0.043478260869565216 cinchocaine Speculative: Review orciprenaline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. adenosine_monophosphate gilles_de_la_tourette_syndrome SPECULATIVE 0.09 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. teniposide alcohol_dependence SPECULATIVE 0.09 0.0 midazolam Speculative: Review teniposide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. vitamin_a chronic_kidney_failure SPECULATIVE 0.09 0.0 cinolazepam Speculative: Review vitamin_a off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. fenoprofen sclerosing_cholangitis GAP_HIGH 0.0899 0.2571428571428571 suprofen High-priority: Binding assay fenoprofen→?; validate in sclerosing_cholangitis cell model. Expected: similar to suprofen (Jaccard=0.26) tiaprofenic_acid liver_cancer GAP_HIGH 0.0899 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in liver_cancer cell model. Expected: similar to bromfenac (Jaccard=0.17) liothyronine liver_cancer GAP_HIGH 0.0899 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.15) cyclopentolate brain_cancer SPECULATIVE 0.0899 0.125 alclometasone Speculative: Review cyclopentolate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cyclopentolate intracranial_aneurysm SPECULATIVE 0.0899 0.125 alclometasone Speculative: Review cyclopentolate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diphemanil_methylsulfate head_and_neck_cancer SPECULATIVE 0.0899 0.125 flurandrenolide Speculative: Review diphemanil_methylsulfate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diphemanil_methylsulfate malignant_glioma SPECULATIVE 0.0899 0.125 flurandrenolide Speculative: Review diphemanil_methylsulfate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. menadione pancreatitis SPECULATIVE 0.0899 0.125 sirolimus Speculative: Review menadione off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. pargyline chronic_kidney_failure SPECULATIVE 0.0899 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. salicylate-sodium acquired_immunodeficiency_syndrome SPECULATIVE 0.0899 0.07692307692307693 lisinopril Speculative: Review salicylate-sodium off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. l-histidine hepatitis_b SPECULATIVE 0.0899 0.07142857142857142 mitiglinide Speculative: Review l-histidine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. indapamide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0899 0.06666666666666667 zafirlukast Speculative: Review indapamide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pazopanib hepatitis_b SPECULATIVE 0.0899 0.0625 trifluridine Speculative: Review pazopanib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. carbidopa dilated_cardiomyopathy SPECULATIVE 0.0899 0.058823529411764705 milrinone Speculative: Review carbidopa off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. midazolam alopecia_areata SPECULATIVE 0.0899 0.058823529411764705 levorphanol Speculative: Review midazolam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. progesterone bone_cancer SPECULATIVE 0.0899 0.05555555555555555 histamine_phosphate Speculative: Review progesterone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. calcipotriol sarcoma SPECULATIVE 0.0899 0.043478260869565216 fentanyl Speculative: Review calcipotriol off-target effects vs sarcoma mechanism. Phenotypic screen recommended. sotalol lymphatic_system_cancer SPECULATIVE 0.0899 0.016129032258064516 s-adenosylmethionine Speculative: Review sotalol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. aciclovir brain_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. aciclovir intracranial_aneurysm SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. adinazolam intracranial_aneurysm SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alfacalcidol esophageal_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. amoxapine lymphatic_system_cancer SPECULATIVE 0.0899 0.0 vinblastine Speculative: Review amoxapine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcidiol esophageal_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. calcipotriol esophageal_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol esophageal_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. flurazepam intracranial_aneurysm SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review flurazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. mepyramine lymphatic_system_cancer SPECULATIVE 0.0899 0.0 vinblastine Speculative: Review mepyramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. olanzapine esophageal_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review olanzapine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. paricalcitol brain_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. paricalcitol intracranial_aneurysm SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenylephrine brain_cancer SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review phenylephrine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenylephrine intracranial_aneurysm SPECULATIVE 0.0899 0.0 hydrocortisone Speculative: Review phenylephrine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tripelennamine lymphatic_system_cancer SPECULATIVE 0.0899 0.0 vinblastine Speculative: Review tripelennamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fenoprofen head_and_neck_cancer GAP_HIGH 0.0898 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in head_and_neck_cancer cell model. Expected: similar to procarbazine (Jaccard=0.21) fenoprofen malignant_glioma GAP_HIGH 0.0898 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in malignant_glioma cell model. Expected: similar to procarbazine (Jaccard=0.21) prednisone alzheimers_disease GAP_HIGH 0.0898 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.18) cyclopentolate salivary_gland_cancer GAP_HIGH 0.0898 0.16 methadone High-priority: Binding assay cyclopentolate→?; validate in salivary_gland_cancer cell model. Expected: similar to methadone (Jaccard=0.16) pheniramine refractive_error GAP_HIGH 0.0898 0.15789473684210525 metaraminol High-priority: Binding assay pheniramine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.16) lacosamide prostate_cancer SPECULATIVE 0.0898 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. fludrocortisone atherosclerosis SPECULATIVE 0.0898 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. flurandrenolide parkinsons_disease SPECULATIVE 0.0898 0.125 homatropine_methylbromide Speculative: Review flurandrenolide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenylpropanolamine membranous_glomerulonephritis SPECULATIVE 0.0898 0.125 mitiglinide Speculative: Review phenylpropanolamine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. clonidine prostate_cancer SPECULATIVE 0.0898 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. phentermine head_and_neck_cancer SPECULATIVE 0.0898 0.1 topotecan Speculative: Review phentermine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phentermine malignant_glioma SPECULATIVE 0.0898 0.1 topotecan Speculative: Review phentermine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. alvimopan germ_cell_cancer SPECULATIVE 0.0898 0.09090909090909091 procarbazine Speculative: Review alvimopan off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. ethynodiol parkinsons_disease SPECULATIVE 0.0898 0.09090909090909091 raloxifene Speculative: Review ethynodiol off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. ketoprofen mediastinal_cancer SPECULATIVE 0.0898 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. ketoprofen primary_biliary_cirrhosis SPECULATIVE 0.0898 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. prednicarbate focal_segmental_glomerulosclerosis SPECULATIVE 0.0898 0.09090909090909091 calcitriol Speculative: Review prednicarbate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alvimopan kidney_cancer SPECULATIVE 0.0898 0.08333333333333333 voacamine Speculative: Review alvimopan off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate epilepsy_syndrome SPECULATIVE 0.0898 0.08333333333333333 aprindine Speculative: Review cyproterone_acetate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. indapamide duodenum_cancer SPECULATIVE 0.0898 0.07142857142857142 melphalan Speculative: Review indapamide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. indapamide gallbladder_cancer SPECULATIVE 0.0898 0.07142857142857142 melphalan Speculative: Review indapamide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. etidronic_acid coronary_artery_disease SPECULATIVE 0.0898 0.06666666666666667 nateglinide Speculative: Review etidronic_acid off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. l-tyrosine dilated_cardiomyopathy SPECULATIVE 0.0898 0.0625 trandolapril Speculative: Review l-tyrosine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. terbutaline malignant_mesothelioma SPECULATIVE 0.0898 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. nortriptyline malaria SPECULATIVE 0.0898 0.05555555555555555 fosphenytoin Speculative: Review nortriptyline off-target effects vs malaria mechanism. Phenotypic screen recommended. nateglinide dilated_cardiomyopathy SPECULATIVE 0.0898 0.05 trandolapril Speculative: Review nateglinide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. sunitinib malaria SPECULATIVE 0.0898 0.05 caffeine Speculative: Review sunitinib off-target effects vs malaria mechanism. Phenotypic screen recommended. levonordefrin acquired_immunodeficiency_syndrome SPECULATIVE 0.0898 0.034482758620689655 vidarabine Speculative: Review levonordefrin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednisone nicotine_dependence GAP_HIGH 0.0897 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) tiaprofenic_acid peripheral_nervous_system_neoplasm GAP_HIGH 0.0897 0.17391304347826086 bromfenac High-priority: Binding assay tiaprofenic_acid→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to bromfenac (Jaccard=0.17) propericiazine primary_biliary_cirrhosis GAP_HIGH 0.0897 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tioguanine (Jaccard=0.17) triflupromazine muscle_cancer GAP_HIGH 0.0897 0.16666666666666666 butenafine High-priority: Binding assay triflupromazine→?; validate in muscle_cancer cell model. Expected: similar to butenafine (Jaccard=0.17) fenoprofen malaria GAP_HIGH 0.0897 0.15789473684210525 warfarin High-priority: Binding assay fenoprofen→?; validate in malaria cell model. Expected: similar to warfarin (Jaccard=0.16) doxorubicin migraine SPECULATIVE 0.0897 0.13333333333333333 trimethoprim Speculative: Review doxorubicin off-target effects vs migraine mechanism. Phenotypic screen recommended. erlotinib narcolepsy SPECULATIVE 0.0897 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. flurandrenolide autistic_disorder SPECULATIVE 0.0897 0.125 homatropine_methylbromide Speculative: Review flurandrenolide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. paclitaxel panic_disorder SPECULATIVE 0.0897 0.125 naloxone Speculative: Review paclitaxel off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. paclitaxel schizophrenia SPECULATIVE 0.0897 0.125 naloxone Speculative: Review paclitaxel off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. pheniramine atherosclerosis SPECULATIVE 0.0897 0.1111111111111111 warfarin Speculative: Review pheniramine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. tiaprofenic_acid malaria SPECULATIVE 0.0897 0.09523809523809523 warfarin Speculative: Review tiaprofenic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. ketoprofen thymus_cancer SPECULATIVE 0.0897 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. bethanidine brain_cancer SPECULATIVE 0.0897 0.08695652173913043 alendronate Speculative: Review bethanidine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bethanidine intracranial_aneurysm SPECULATIVE 0.0897 0.08695652173913043 alendronate Speculative: Review bethanidine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alvimopan nephrolithiasis SPECULATIVE 0.0897 0.08333333333333333 voacamine Speculative: Review alvimopan off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cabazitaxel malignant_glioma SPECULATIVE 0.0897 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cinolazepam ocular_cancer SPECULATIVE 0.0897 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate narcolepsy SPECULATIVE 0.0897 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. dimetacrine bone_cancer SPECULATIVE 0.0897 0.05 alendronate Speculative: Review dimetacrine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ribavirin epilepsy_syndrome SPECULATIVE 0.0897 0.045454545454545456 isoprenaline Speculative: Review ribavirin off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tiaprofenic_acid dilated_cardiomyopathy SPECULATIVE 0.0897 0.045454545454545456 medrysone Speculative: Review tiaprofenic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. dextroamphetamine lymphatic_system_cancer SPECULATIVE 0.0897 0.04 riboflavin Speculative: Review dextroamphetamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine head_and_neck_cancer SPECULATIVE 0.0897 0.03773584905660377 methotrexate Speculative: Review s-adenosylmethionine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine malignant_glioma SPECULATIVE 0.0897 0.03773584905660377 methotrexate Speculative: Review s-adenosylmethionine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cyclopentolate gestational_diabetes SPECULATIVE 0.0897 0.037037037037037035 bezafibrate Speculative: Review cyclopentolate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. zuclopenthixol gestational_diabetes SPECULATIVE 0.0897 0.029411764705882353 bezafibrate Speculative: Review zuclopenthixol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. s-adenosylmethionine gilles_de_la_tourette_syndrome SPECULATIVE 0.0897 0.02857142857142857 meclizine Speculative: Review s-adenosylmethionine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. vandetanib acquired_immunodeficiency_syndrome SPECULATIVE 0.0897 0.02830188679245283 adenosine_monophosphate Speculative: Review vandetanib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. azacitidine alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review azacitidine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clodronate dilated_cardiomyopathy SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review clodronate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clotiazepam germ_cell_cancer SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. diclofenamide alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. dipivefrin alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. entecavir dilated_cardiomyopathy SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review entecavir off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. furosemide alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review furosemide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lenalidomide germ_cell_cancer SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review lenalidomide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. metolazone alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review metolazone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. nortriptyline dilated_cardiomyopathy SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review nortriptyline off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. regadenoson alopecia_areata SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review regadenoson off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. tenofovir germ_cell_cancer SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. theophylline vaginal_cancer SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. theophylline vulva_cancer SPECULATIVE 0.0897 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. fenoprofen pharynx_cancer GAP_HIGH 0.0896 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in pharynx_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) tiaprofenic_acid pharynx_cancer GAP_HIGH 0.0896 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in pharynx_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) loperamide alopecia_areata GAP_HIGH 0.0896 0.16 levorphanol High-priority: Binding assay loperamide→?; validate in alopecia_areata cell model. Expected: similar to levorphanol (Jaccard=0.16) megestrol_acetate parkinsons_disease SPECULATIVE 0.0896 0.14285714285714285 dextromethorphan Speculative: Review megestrol_acetate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. menadione lung_cancer SPECULATIVE 0.0896 0.125 sirolimus Speculative: Review menadione off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. paclitaxel conduct_disorder SPECULATIVE 0.0896 0.125 naloxone Speculative: Review paclitaxel off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. clonidine mediastinal_cancer SPECULATIVE 0.0896 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. menadione idiopathic_pulmonary_fibrosis SPECULATIVE 0.0896 0.1111111111111111 dipivefrin Speculative: Review menadione off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. phentermine nephrolithiasis SPECULATIVE 0.0896 0.1 benzocaine Speculative: Review phentermine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. raloxifene brain_cancer SPECULATIVE 0.0896 0.1 megestrol_acetate Speculative: Review raloxifene off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. raloxifene intracranial_aneurysm SPECULATIVE 0.0896 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. benzatropine larynx_cancer SPECULATIVE 0.0896 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxorubicin chronic_kidney_failure SPECULATIVE 0.0896 0.09090909090909091 amsacrine Speculative: Review doxorubicin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. azelastine glaucoma SPECULATIVE 0.0896 0.08571428571428572 pseudoephedrine Speculative: Review azelastine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. amoxapine salivary_gland_cancer SPECULATIVE 0.0896 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. sunitinib focal_segmental_glomerulosclerosis SPECULATIVE 0.0896 0.07692307692307693 amsacrine Speculative: Review sunitinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. teniposide azoospermia SPECULATIVE 0.0896 0.07692307692307693 doxepin Speculative: Review teniposide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. acetylsalicylic_acid lymphatic_system_cancer SPECULATIVE 0.0896 0.06521739130434782 adenosine_triphosphate Speculative: Review acetylsalicylic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. suprofen alopecia_areata SPECULATIVE 0.0896 0.0625 cyproterone_acetate Speculative: Review suprofen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. calcipotriol polycystic_ovary_syndrome SPECULATIVE 0.0896 0.047619047619047616 drostanolone Speculative: Review calcipotriol off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. sotalol brain_cancer SPECULATIVE 0.0896 0.045454545454545456 estradiol_valeratedienogest Speculative: Review sotalol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. antazoline lymphatic_system_cancer SPECULATIVE 0.0896 0.04 riboflavin Speculative: Review antazoline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-glutamine stomach_cancer SPECULATIVE 0.0896 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. bezafibrate alcohol_dependence SPECULATIVE 0.0896 0.03125 levorphanol Speculative: Review bezafibrate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. cabazitaxel bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review cabazitaxel off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cabazitaxel gestational_diabetes SPECULATIVE 0.0896 0.0 tolazamide Speculative: Review cabazitaxel off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. clozapine bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review clozapine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cytarabine crohns_disease SPECULATIVE 0.0896 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. estazolam larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review estazolam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. levomilnacipran larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review levomilnacipran off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. levonordefrin bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review levonordefrin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. levonordefrin gestational_diabetes SPECULATIVE 0.0896 0.0 tolazamide Speculative: Review levonordefrin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. metaraminol larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review metaraminol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methotrexate gestational_diabetes SPECULATIVE 0.0896 0.0 tolazamide Speculative: Review methotrexate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. methylprednisolone bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review methylprednisolone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. milnacipran larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review milnacipran off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. paclitaxel bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review paclitaxel off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. pimozide larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review pimozide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pirbuterol larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review pirbuterol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. prochlorperazine bone_cancer SPECULATIVE 0.0896 0.0 ibandronate Speculative: Review prochlorperazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. prochlorperazine gestational_diabetes SPECULATIVE 0.0896 0.0 tolazamide Speculative: Review prochlorperazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. salbutamol larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review salbutamol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. temazepam gestational_diabetes SPECULATIVE 0.0896 0.0 tolazamide Speculative: Review temazepam off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. theophylline testicular_cancer SPECULATIVE 0.0896 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. trilostane larynx_cancer SPECULATIVE 0.0896 0.0 vinblastine Speculative: Review trilostane off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ethopropazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0895 0.2222222222222222 tamoxifen High-priority: Binding assay ethopropazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.22) cyclopentolate ocular_cancer GAP_HIGH 0.0895 0.16 methadone High-priority: Binding assay cyclopentolate→?; validate in ocular_cancer cell model. Expected: similar to methadone (Jaccard=0.16) megestrol_acetate autistic_disorder SPECULATIVE 0.0895 0.14285714285714285 dextromethorphan Speculative: Review megestrol_acetate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. lacosamide gout SPECULATIVE 0.0895 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs gout mechanism. Phenotypic screen recommended. paclitaxel allergic_rhinitis SPECULATIVE 0.0895 0.125 cyproterone_acetate Speculative: Review paclitaxel off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. paclitaxel bipolar_disorder SPECULATIVE 0.0895 0.125 naloxone Speculative: Review paclitaxel off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. etoricoxib gilles_de_la_tourette_syndrome SPECULATIVE 0.0895 0.12195121951219512 mazindol Speculative: Review etoricoxib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. clonidine thymus_cancer SPECULATIVE 0.0895 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. voacamine crohns_disease SPECULATIVE 0.0895 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. midazolam pharynx_cancer SPECULATIVE 0.0895 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. clozapine glaucoma SPECULATIVE 0.0895 0.10344827586206896 pseudoephedrine Speculative: Review clozapine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. mestranol narcolepsy SPECULATIVE 0.0895 0.09090909090909091 l-dopa Speculative: Review mestranol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. cabazitaxel refractive_error SPECULATIVE 0.0895 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs refractive_error mechanism. Phenotypic screen recommended. eplerenone focal_segmental_glomerulosclerosis SPECULATIVE 0.0895 0.08333333333333333 calcitriol Speculative: Review eplerenone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. indapamide sclerosing_cholangitis SPECULATIVE 0.0895 0.07142857142857142 suprofen Speculative: Review indapamide off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. lapatinib refractive_error SPECULATIVE 0.0895 0.058823529411764705 masoprocol Speculative: Review lapatinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. sulfadiazine intracranial_aneurysm SPECULATIVE 0.0895 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cyproheptadine azoospermia SPECULATIVE 0.0895 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. l-glutamine pancreatic_cancer SPECULATIVE 0.0895 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. l-glutamine ulcerative_colitis SPECULATIVE 0.0895 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. ceruletide focal_segmental_glomerulosclerosis SPECULATIVE 0.0895 0.0 methdilazine Speculative: Review ceruletide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. chlorphenesin focal_segmental_glomerulosclerosis SPECULATIVE 0.0895 0.0 methdilazine Speculative: Review chlorphenesin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. theophylline vascular_cancer SPECULATIVE 0.0895 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. trifluoperazine meningioma GAP_HIGH 0.0894 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in meningioma cell model. Expected: similar to alendronate (Jaccard=0.18) menadione liver_cancer SPECULATIVE 0.0894 0.125 sirolimus Speculative: Review menadione off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. paclitaxel endogenous_depression SPECULATIVE 0.0894 0.125 naloxone Speculative: Review paclitaxel off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. nortriptyline penile_cancer SPECULATIVE 0.0894 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. l-histidine mediastinal_cancer SPECULATIVE 0.0894 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. fludiazepam meningioma SPECULATIVE 0.0894 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. dextroamphetamine meningioma SPECULATIVE 0.0894 0.09090909090909091 topotecan Speculative: Review dextroamphetamine off-target effects vs meningioma mechanism. Phenotypic screen recommended. amoxapine ocular_cancer SPECULATIVE 0.0894 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. cinolazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0894 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. paclitaxel glaucoma SPECULATIVE 0.0894 0.08333333333333333 alpha-linolenic_acid Speculative: Review paclitaxel off-target effects vs glaucoma mechanism. Phenotypic screen recommended. estradiol_valeratedienogest glaucoma SPECULATIVE 0.0894 0.07142857142857142 chlorphenesin Speculative: Review estradiol_valeratedienogest off-target effects vs glaucoma mechanism. Phenotypic screen recommended. methyldopa dilated_cardiomyopathy SPECULATIVE 0.0894 0.0625 milrinone Speculative: Review methyldopa off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. masoprocol lymphatic_system_cancer SPECULATIVE 0.0894 0.058823529411764705 vinblastine Speculative: Review masoprocol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. azacitidine atopic_dermatitis SPECULATIVE 0.0894 0.041666666666666664 dyphylline Speculative: Review azacitidine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. l-glutamine psoriasis SPECULATIVE 0.0894 0.037037037037037035 adenine Speculative: Review l-glutamine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. amoxapine esophageal_cancer SPECULATIVE 0.0894 0.029411764705882353 toremifene Speculative: Review amoxapine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. ceruletide gilles_de_la_tourette_syndrome SPECULATIVE 0.0894 0.0 loxapine Speculative: Review ceruletide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. chlorphenesin gilles_de_la_tourette_syndrome SPECULATIVE 0.0894 0.0 loxapine Speculative: Review chlorphenesin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. l-serine alcohol_dependence SPECULATIVE 0.0894 0.0 midazolam Speculative: Review l-serine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. salicylic_acid alcohol_dependence SPECULATIVE 0.0894 0.0 midazolam Speculative: Review salicylic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. meclizine rheumatoid_arthritis GAP_HIGH 0.0893 0.18421052631578946 diphenylpyraline High-priority: Binding assay meclizine→?; validate in rheumatoid_arthritis cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) megestrol_acetate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0893 0.14285714285714285 dextromethorphan Speculative: Review megestrol_acetate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. moricizine penile_cancer SPECULATIVE 0.0893 0.13043478260869565 loperamide Speculative: Review moricizine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. pazopanib hypertension SPECULATIVE 0.0893 0.125 trimethoprim Speculative: Review pazopanib off-target effects vs hypertension mechanism. Phenotypic screen recommended. phentermine duodenum_cancer SPECULATIVE 0.0893 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. phentermine gallbladder_cancer SPECULATIVE 0.0893 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. phentermine melanoma SPECULATIVE 0.0893 0.125 cyclandelate Speculative: Review phentermine off-target effects vs melanoma mechanism. Phenotypic screen recommended. acetylsalicylic_acid membranous_glomerulonephritis SPECULATIVE 0.0893 0.12 mefenamic_acid Speculative: Review acetylsalicylic_acid off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. pazopanib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0893 0.11764705882352941 dexamethasone Speculative: Review pazopanib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. l-histidine melanoma SPECULATIVE 0.0893 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs melanoma mechanism. Phenotypic screen recommended. doxorubicin crohns_disease SPECULATIVE 0.0893 0.10714285714285714 pseudoephedrine Speculative: Review doxorubicin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. l-histidine thymus_cancer SPECULATIVE 0.0893 0.10714285714285714 mesalazine Speculative: Review l-histidine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. midazolam thyroid_cancer SPECULATIVE 0.0893 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. cyclizine glaucoma SPECULATIVE 0.0893 0.1 decamethonium Speculative: Review cyclizine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fluticasone_propionate malaria SPECULATIVE 0.0893 0.1 talbutal Speculative: Review fluticasone_propionate off-target effects vs malaria mechanism. Phenotypic screen recommended. loteprednol chronic_kidney_failure SPECULATIVE 0.0893 0.1 carbinoxamine Speculative: Review loteprednol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. diazepam head_and_neck_cancer SPECULATIVE 0.0893 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diazepam malignant_glioma SPECULATIVE 0.0893 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. sulfaphenazole nephrolithiasis SPECULATIVE 0.0893 0.05555555555555555 fluticasone_propionate Speculative: Review sulfaphenazole off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cyproheptadine membranous_glomerulonephritis SPECULATIVE 0.0893 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. acenocoumarol celiac_disease SPECULATIVE 0.0893 0.03571428571428571 pseudoephedrine Speculative: Review acenocoumarol off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-glutamine thyroid_cancer SPECULATIVE 0.0893 0.02564102564102564 podofilox Speculative: Review l-glutamine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. alfacalcidol type_1_diabetes_mellitus SPECULATIVE 0.0893 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. calcidiol type_1_diabetes_mellitus SPECULATIVE 0.0893 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. calcipotriol type_1_diabetes_mellitus SPECULATIVE 0.0893 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cyclopentolate leprosy SPECULATIVE 0.0893 0.0 sulfapyridine Speculative: Review cyclopentolate off-target effects vs leprosy mechanism. Phenotypic screen recommended. floctafenine acquired_immunodeficiency_syndrome SPECULATIVE 0.0893 0.0 mitiglinide Speculative: Review floctafenine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. indapamide acquired_immunodeficiency_syndrome SPECULATIVE 0.0893 0.0 mitiglinide Speculative: Review indapamide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. isopropamide leprosy SPECULATIVE 0.0893 0.0 sulfapyridine Speculative: Review isopropamide off-target effects vs leprosy mechanism. Phenotypic screen recommended. nitrazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0893 0.0 mitiglinide Speculative: Review nitrazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. trifluridine amyotrophic_lateral_sclerosis SPECULATIVE 0.0893 0.0 cinolazepam Speculative: Review trifluridine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. prednisone panic_disorder GAP_HIGH 0.0892 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) estrone refractive_error GAP_HIGH 0.0892 0.15384615384615385 carboprost_tromethamine High-priority: Binding assay estrone→?; validate in refractive_error cell model. Expected: similar to carboprost_tromethamine (Jaccard=0.15) liothyronine stomach_cancer GAP_HIGH 0.0892 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in stomach_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) nortriptyline sarcoma SPECULATIVE 0.0892 0.14285714285714285 pheniramine Speculative: Review nortriptyline off-target effects vs sarcoma mechanism. Phenotypic screen recommended. pirenzepine germ_cell_cancer SPECULATIVE 0.0892 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. l-tyrosine type_1_diabetes_mellitus SPECULATIVE 0.0892 0.13793103448275862 aminosalicylic_acid Speculative: Review l-tyrosine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. pazopanib epilepsy_syndrome SPECULATIVE 0.0892 0.11764705882352941 menadione Speculative: Review pazopanib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. zuclopenthixol larynx_cancer SPECULATIVE 0.0892 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clonidine meningioma SPECULATIVE 0.0892 0.1111111111111111 vincristine Speculative: Review clonidine off-target effects vs meningioma mechanism. Phenotypic screen recommended. bromfenac malaria SPECULATIVE 0.0892 0.09375 sulfapyridine Speculative: Review bromfenac off-target effects vs malaria mechanism. Phenotypic screen recommended. cinolazepam melanoma SPECULATIVE 0.0892 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs melanoma mechanism. Phenotypic screen recommended. sulfapyridine head_and_neck_cancer SPECULATIVE 0.0892 0.07142857142857142 clocortolone Speculative: Review sulfapyridine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. sulfapyridine malignant_glioma SPECULATIVE 0.0892 0.07142857142857142 clocortolone Speculative: Review sulfapyridine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. naproxen brain_cancer SPECULATIVE 0.0892 0.058823529411764705 alclometasone Speculative: Review naproxen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. terbutaline meningioma SPECULATIVE 0.0892 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs meningioma mechanism. Phenotypic screen recommended. vandetanib lymphatic_system_cancer SPECULATIVE 0.0892 0.05714285714285714 glucosamine Speculative: Review vandetanib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. salicylic_acid malaria SPECULATIVE 0.0892 0.05555555555555555 tetracycline Speculative: Review salicylic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. paclitaxel atherosclerosis SPECULATIVE 0.0892 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. salsalate dilated_cardiomyopathy SPECULATIVE 0.0892 0.047619047619047616 trandolapril Speculative: Review salsalate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. trimipramine bone_cancer SPECULATIVE 0.0892 0.047619047619047616 alendronate Speculative: Review trimipramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. terbutaline kidney_cancer SPECULATIVE 0.0892 0.043478260869565216 quinacrine Speculative: Review terbutaline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. salsalate alcohol_dependence SPECULATIVE 0.0892 0.041666666666666664 temazepam Speculative: Review salsalate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. diphenidol acquired_immunodeficiency_syndrome SPECULATIVE 0.0892 0.015625 adenosine_monophosphate Speculative: Review diphenidol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cytarabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0892 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. doxylamine hepatitis_b SPECULATIVE 0.0892 0.0 mitiglinide Speculative: Review doxylamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. felypressin urinary_bladder_cancer SPECULATIVE 0.0892 0.0 hydrocortisone Speculative: Review felypressin off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. methyltestosterone hepatitis_b SPECULATIVE 0.0892 0.0 mitiglinide Speculative: Review methyltestosterone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pasireotide urinary_bladder_cancer SPECULATIVE 0.0892 0.0 hydrocortisone Speculative: Review pasireotide off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. testosterone hepatitis_b SPECULATIVE 0.0892 0.0 mitiglinide Speculative: Review testosterone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. theophylline uterine_fibroid SPECULATIVE 0.0892 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs uterine_fibroid mechanism. Phenotypic screen recommended. ethopropazine pharynx_cancer GAP_HIGH 0.0891 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in pharynx_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) prednisone conduct_disorder GAP_HIGH 0.0891 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) dimetacrine kidney_cancer GAP_HIGH 0.0891 0.16666666666666666 levorphanol High-priority: Binding assay dimetacrine→?; validate in kidney_cancer cell model. Expected: similar to levorphanol (Jaccard=0.17) carbinoxamine primary_biliary_cirrhosis GAP_HIGH 0.0891 0.15384615384615385 tamoxifen High-priority: Binding assay carbinoxamine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.15) liothyronine pancreatic_cancer GAP_HIGH 0.0891 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in pancreatic_cancer cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) liothyronine ulcerative_colitis GAP_HIGH 0.0891 0.15384615384615385 aminosalicylic_acid High-priority: Binding assay liothyronine→?; validate in ulcerative_colitis cell model. Expected: similar to aminosalicylic_acid (Jaccard=0.15) naftifine kidney_cancer SPECULATIVE 0.0891 0.14814814814814814 levorphanol Speculative: Review naftifine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. fentanyl hepatitis_b SPECULATIVE 0.0891 0.14285714285714285 alvimopan Speculative: Review fentanyl off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cyclopentolate head_and_neck_cancer SPECULATIVE 0.0891 0.125 alclometasone Speculative: Review cyclopentolate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cyclopentolate malignant_glioma SPECULATIVE 0.0891 0.125 alclometasone Speculative: Review cyclopentolate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. docetaxel hematologic_cancer SPECULATIVE 0.0891 0.1 cyproterone_acetate Speculative: Review docetaxel off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol glaucoma SPECULATIVE 0.0891 0.09090909090909091 carboprost_tromethamine Speculative: Review ethinyl_estradiol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. diazepam penile_cancer SPECULATIVE 0.0891 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. voacamine gilles_de_la_tourette_syndrome SPECULATIVE 0.0891 0.08695652173913043 trimipramine Speculative: Review voacamine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diazepam nephrolithiasis SPECULATIVE 0.0891 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. docetaxel glaucoma SPECULATIVE 0.0891 0.07142857142857142 alpha-linolenic_acid Speculative: Review docetaxel off-target effects vs glaucoma mechanism. Phenotypic screen recommended. chlorthalidone primary_biliary_cirrhosis SPECULATIVE 0.0891 0.05263157894736842 sulfaphenazole Speculative: Review chlorthalidone off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. azacitidine migraine SPECULATIVE 0.0891 0.041666666666666664 dyphylline Speculative: Review azacitidine off-target effects vs migraine mechanism. Phenotypic screen recommended. regadenoson atopic_dermatitis SPECULATIVE 0.0891 0.038461538461538464 dyphylline Speculative: Review regadenoson off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. acetylsalicylic_acid acquired_immunodeficiency_syndrome SPECULATIVE 0.0891 0.034482758620689655 floxuridine Speculative: Review acetylsalicylic_acid off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. procainamide acquired_immunodeficiency_syndrome SPECULATIVE 0.0891 0.008928571428571428 adenosine_monophosphate Speculative: Review procainamide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aciclovir head_and_neck_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aciclovir malignant_glioma SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. adinazolam head_and_neck_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. adinazolam malignant_glioma SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. buclizine gestational_diabetes SPECULATIVE 0.0891 0.0 tolazamide Speculative: Review buclizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. clotiazepam penile_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. emtricitabine creutzfeldt-jakob_disease SPECULATIVE 0.0891 0.0 loxapine Speculative: Review emtricitabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide creutzfeldt-jakob_disease SPECULATIVE 0.0891 0.0 loxapine Speculative: Review flavin_adenine_dinucleotide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. flurazepam head_and_neck_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review flurazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. flurazepam malignant_glioma SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review flurazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fosphenytoin bone_cancer SPECULATIVE 0.0891 0.0 ibandronate Speculative: Review fosphenytoin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. paricalcitol head_and_neck_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. paricalcitol malignant_glioma SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenindamine gestational_diabetes SPECULATIVE 0.0891 0.0 tolazamide Speculative: Review phenindamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tenofovir penile_cancer SPECULATIVE 0.0891 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. fenoprofen salivary_gland_cancer GAP_HIGH 0.089 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in salivary_gland_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) mesalazine azoospermia GAP_HIGH 0.089 0.18181818181818182 dienestrol High-priority: Binding assay mesalazine→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.18) prednisone bipolar_disorder GAP_HIGH 0.089 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) tiaprofenic_acid salivary_gland_cancer GAP_HIGH 0.089 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in salivary_gland_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) liothyronine psoriasis GAP_HIGH 0.089 0.15384615384615385 isoprenaline High-priority: Binding assay liothyronine→?; validate in psoriasis cell model. Expected: similar to isoprenaline (Jaccard=0.15) bezafibrate refractive_error SPECULATIVE 0.089 0.13043478260869565 chlorphenesin Speculative: Review bezafibrate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pazopanib migraine SPECULATIVE 0.089 0.125 trimethoprim Speculative: Review pazopanib off-target effects vs migraine mechanism. Phenotypic screen recommended. isoprenaline chronic_kidney_failure SPECULATIVE 0.089 0.1111111111111111 acetophenazine Speculative: Review isoprenaline off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. phenylpropanolamine esophageal_cancer SPECULATIVE 0.089 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. amoxapine peripheral_nervous_system_neoplasm SPECULATIVE 0.089 0.08333333333333333 alendronate Speculative: Review amoxapine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. procarbazine nephrolithiasis SPECULATIVE 0.089 0.08333333333333333 cabazitaxel Speculative: Review procarbazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cabazitaxel brain_cancer SPECULATIVE 0.089 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol malaria SPECULATIVE 0.089 0.07142857142857142 sulfamethizole Speculative: Review diethylstilbestrol off-target effects vs malaria mechanism. Phenotypic screen recommended. anisotropine_methylbromide duodenum_cancer SPECULATIVE 0.089 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide gallbladder_cancer SPECULATIVE 0.089 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. vinblastine atherosclerosis SPECULATIVE 0.089 0.058823529411764705 salsalate Speculative: Review vinblastine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phenacemide bone_cancer SPECULATIVE 0.089 0.038461538461538464 alendronate Speculative: Review phenacemide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate gestational_diabetes SPECULATIVE 0.089 0.03571428571428571 bezafibrate Speculative: Review fluticasone_propionate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. chlorpromazine gestational_diabetes SPECULATIVE 0.089 0.024390243902439025 bezafibrate Speculative: Review chlorpromazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. docetaxel acquired_immunodeficiency_syndrome SPECULATIVE 0.089 0.016129032258064516 adenosine_monophosphate Speculative: Review docetaxel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. antazoline dilated_cardiomyopathy SPECULATIVE 0.089 0.0 hydrocortisone Speculative: Review antazoline off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. diphenidol dilated_cardiomyopathy SPECULATIVE 0.089 0.0 hydrocortisone Speculative: Review diphenidol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenacemide leprosy SPECULATIVE 0.089 0.0 sulfapyridine Speculative: Review phenacemide off-target effects vs leprosy mechanism. Phenotypic screen recommended. tamoxifen leprosy SPECULATIVE 0.089 0.0 sulfapyridine Speculative: Review tamoxifen off-target effects vs leprosy mechanism. Phenotypic screen recommended. prednisone endogenous_depression GAP_HIGH 0.0889 0.18181818181818182 levorphanol High-priority: Binding assay prednisone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.18) ifenprodil refractive_error SPECULATIVE 0.0889 0.11764705882352941 phenylephrine Speculative: Review ifenprodil off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phentermine mediastinal_cancer SPECULATIVE 0.0889 0.11764705882352941 melphalan Speculative: Review phentermine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. carbinoxamine alopecia_areata SPECULATIVE 0.0889 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-histidine sclerosing_cholangitis SPECULATIVE 0.0889 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. vinblastine coronary_artery_disease SPECULATIVE 0.0889 0.1111111111111111 naloxone Speculative: Review vinblastine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. methadone dilated_cardiomyopathy SPECULATIVE 0.0889 0.0967741935483871 drospirenone Speculative: Review methadone off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. bethanidine head_and_neck_cancer SPECULATIVE 0.0889 0.08695652173913043 alendronate Speculative: Review bethanidine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bethanidine malignant_glioma SPECULATIVE 0.0889 0.08695652173913043 alendronate Speculative: Review bethanidine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pazopanib gilles_de_la_tourette_syndrome SPECULATIVE 0.0889 0.07407407407407407 loperamide Speculative: Review pazopanib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sulfadiazine brain_cancer SPECULATIVE 0.0889 0.05 fluticasone_propionate Speculative: Review sulfadiazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cabazitaxel atherosclerosis SPECULATIVE 0.0889 0.047619047619047616 naproxen Speculative: Review cabazitaxel off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pimozide duodenum_cancer SPECULATIVE 0.0889 0.047619047619047616 naftifine Speculative: Review pimozide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. pimozide gallbladder_cancer SPECULATIVE 0.0889 0.047619047619047616 naftifine Speculative: Review pimozide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. anileridine brain_cancer SPECULATIVE 0.0889 0.043478260869565216 levorphanol Speculative: Review anileridine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. aciclovir nephrolithiasis SPECULATIVE 0.0889 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. aciclovir refractive_error SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review aciclovir off-target effects vs refractive_error mechanism. Phenotypic screen recommended. adenosine refractive_error SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review adenosine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. adinazolam nephrolithiasis SPECULATIVE 0.0889 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. alfacalcidol glaucoma SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review alfacalcidol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. anisindione lymphatic_system_cancer SPECULATIVE 0.0889 0.0 vinblastine Speculative: Review anisindione off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. calcidiol glaucoma SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review calcidiol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. calcipotriol glaucoma SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review calcipotriol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ceruletide glaucoma SPECULATIVE 0.0889 0.0 pirbuterol Speculative: Review ceruletide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. dimetindene lymphatic_system_cancer SPECULATIVE 0.0889 0.0 vinblastine Speculative: Review dimetindene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. epirubicin alcohol_dependence SPECULATIVE 0.0889 0.0 midazolam Speculative: Review epirubicin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. mefenamic_acid alcohol_dependence SPECULATIVE 0.0889 0.0 midazolam Speculative: Review mefenamic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. methyclothiazide lymphatic_system_cancer SPECULATIVE 0.0889 0.0 vinblastine Speculative: Review methyclothiazide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. orphenadrine atherosclerosis SPECULATIVE 0.0889 0.0 fenoprofen Speculative: Review orphenadrine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. orphenadrine lymphatic_system_cancer SPECULATIVE 0.0889 0.0 vinblastine Speculative: Review orphenadrine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. paricalcitol nephrolithiasis SPECULATIVE 0.0889 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenprocoumon alcohol_dependence SPECULATIVE 0.0889 0.0 midazolam Speculative: Review phenprocoumon off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. podofilox alcohol_dependence SPECULATIVE 0.0889 0.0 midazolam Speculative: Review podofilox off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. tenofovir malignant_mesothelioma SPECULATIVE 0.0889 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. theophylline polycystic_ovary_syndrome SPECULATIVE 0.0889 0.0 hydrocortisone Speculative: Review theophylline off-target effects vs polycystic_ovary_syndrome mechanism. Phenotypic screen recommended. phenacemide primary_biliary_cirrhosis GAP_HIGH 0.0888 0.16 mitiglinide High-priority: Binding assay phenacemide→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to mitiglinide (Jaccard=0.16) pipotiazine type_1_diabetes_mellitus GAP_HIGH 0.0888 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to tioguanine (Jaccard=0.15) phenacemide refractive_error SPECULATIVE 0.0888 0.13793103448275862 phenylpropanolamine Speculative: Review phenacemide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phentermine thymus_cancer SPECULATIVE 0.0888 0.11764705882352941 melphalan Speculative: Review phentermine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. voacamine gout SPECULATIVE 0.0888 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs gout mechanism. Phenotypic screen recommended. midazolam muscle_cancer SPECULATIVE 0.0888 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. metoclopramide azoospermia SPECULATIVE 0.0888 0.10144927536231885 procaine Speculative: Review metoclopramide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. raloxifene head_and_neck_cancer SPECULATIVE 0.0888 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. raloxifene malignant_glioma SPECULATIVE 0.0888 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lapatinib migraine SPECULATIVE 0.0888 0.09090909090909091 spironolactone Speculative: Review lapatinib off-target effects vs migraine mechanism. Phenotypic screen recommended. mequitazine atherosclerosis SPECULATIVE 0.0888 0.09090909090909091 phentermine Speculative: Review mequitazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. midazolam idiopathic_pulmonary_fibrosis SPECULATIVE 0.0888 0.09090909090909091 anisotropine_methylbromide Speculative: Review midazolam off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. menadione alopecia_areata SPECULATIVE 0.0888 0.07142857142857142 spironolactone Speculative: Review menadione off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. prednisolone larynx_cancer SPECULATIVE 0.0888 0.07142857142857142 doxorubicin Speculative: Review prednisolone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate gout SPECULATIVE 0.0888 0.058823529411764705 tioguanine Speculative: Review adenosine_triphosphate off-target effects vs gout mechanism. Phenotypic screen recommended. azacitidine restless_legs_syndrome SPECULATIVE 0.0888 0.045454545454545456 caffeine Speculative: Review azacitidine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. clotrimazole dilated_cardiomyopathy SPECULATIVE 0.0888 0.045454545454545456 drospirenone Speculative: Review clotrimazole off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. orciprenaline membranous_glomerulonephritis SPECULATIVE 0.0888 0.045454545454545456 tamsulosin Speculative: Review orciprenaline off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. ribavirin attention_deficit_hyperactivity_disorder SPECULATIVE 0.0888 0.045454545454545456 isoprenaline Speculative: Review ribavirin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. regadenoson migraine SPECULATIVE 0.0888 0.038461538461538464 dyphylline Speculative: Review regadenoson off-target effects vs migraine mechanism. Phenotypic screen recommended. drospirenone leprosy SPECULATIVE 0.0888 0.0 sulfapyridine Speculative: Review drospirenone off-target effects vs leprosy mechanism. Phenotypic screen recommended. dydrogesterone leprosy SPECULATIVE 0.0888 0.0 sulfapyridine Speculative: Review dydrogesterone off-target effects vs leprosy mechanism. Phenotypic screen recommended. testosterone_propionate leprosy SPECULATIVE 0.0888 0.0 sulfapyridine Speculative: Review testosterone_propionate off-target effects vs leprosy mechanism. Phenotypic screen recommended. vitamin_a azoospermia SPECULATIVE 0.0888 0.0 phenylbutazone Speculative: Review vitamin_a off-target effects vs azoospermia mechanism. Phenotypic screen recommended. fenoprofen ocular_cancer GAP_HIGH 0.0887 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in ocular_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) fenoprofen rectum_cancer GAP_HIGH 0.0887 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in rectum_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) tiaprofenic_acid ocular_cancer GAP_HIGH 0.0887 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in ocular_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) liothyronine systemic_lupus_erythematosus GAP_HIGH 0.0887 0.15384615384615385 isoprenaline High-priority: Binding assay liothyronine→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to isoprenaline (Jaccard=0.15) pseudoephedrine membranous_glomerulonephritis GAP_HIGH 0.0887 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.15) temazepam pharynx_cancer SPECULATIVE 0.0887 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate larynx_cancer SPECULATIVE 0.0887 0.1111111111111111 pantoprazole Speculative: Review fluticasone_propionate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxepin larynx_cancer SPECULATIVE 0.0887 0.1 podofilox Speculative: Review doxepin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ketoprofen duodenum_cancer SPECULATIVE 0.0887 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. ketoprofen gallbladder_cancer SPECULATIVE 0.0887 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. ketoprofen melanoma SPECULATIVE 0.0887 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs melanoma mechanism. Phenotypic screen recommended. vindesine chronic_kidney_failure SPECULATIVE 0.0887 0.07142857142857142 promethazine Speculative: Review vindesine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. sulfadiazine head_and_neck_cancer SPECULATIVE 0.0887 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. sulfadiazine malignant_glioma SPECULATIVE 0.0887 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. promazine bone_cancer SPECULATIVE 0.0887 0.043478260869565216 alendronate Speculative: Review promazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. terbutaline nephrolithiasis SPECULATIVE 0.0887 0.041666666666666664 cinchocaine Speculative: Review terbutaline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. estradiol_valeratedienogest atherosclerosis SPECULATIVE 0.0887 0.04 naproxen Speculative: Review estradiol_valeratedienogest off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. isoprenaline acquired_immunodeficiency_syndrome SPECULATIVE 0.0887 0.04 vidarabine Speculative: Review isoprenaline off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alverine lymphatic_system_cancer SPECULATIVE 0.0887 0.038461538461538464 riboflavin Speculative: Review alverine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenine atherosclerosis SPECULATIVE 0.0887 0.03571428571428571 bezafibrate Speculative: Review adenine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. sulfapyridine lymphatic_system_cancer SPECULATIVE 0.0887 0.03571428571428571 tetrahydrofolic_acid Speculative: Review sulfapyridine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorprothixene gestational_diabetes SPECULATIVE 0.0887 0.02564102564102564 bezafibrate Speculative: Review chlorprothixene off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ethynodiol lymphatic_system_cancer SPECULATIVE 0.0887 0.02564102564102564 adenosine_triphosphate Speculative: Review ethynodiol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clomipramine gestational_diabetes SPECULATIVE 0.0887 0.024390243902439025 bezafibrate Speculative: Review clomipramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lacosamide alcohol_dependence SPECULATIVE 0.0887 0.021739130434782608 mazindol Speculative: Review lacosamide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. alverine acquired_immunodeficiency_syndrome SPECULATIVE 0.0887 0.014925373134328358 adenosine_monophosphate Speculative: Review alverine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alfacalcidol brain_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alfacalcidol intracranial_aneurysm SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alprazolam esophageal_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. calcidiol brain_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. calcidiol intracranial_aneurysm SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. calcipotriol brain_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. calcipotriol intracranial_aneurysm SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diclofenamide esophageal_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol brain_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol intracranial_aneurysm SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dipivefrin esophageal_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. doxapram brain_cancer SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review doxapram off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. doxapram intracranial_aneurysm SPECULATIVE 0.0887 0.0 hydrocortisone Speculative: Review doxapram off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fenoprofen liver_cancer GAP_HIGH 0.0886 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in liver_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) liothyronine metabolic_syndrome_x GAP_HIGH 0.0886 0.15384615384615385 mitiglinide High-priority: Binding assay liothyronine→?; validate in metabolic_syndrome_x cell model. Expected: similar to mitiglinide (Jaccard=0.15) pirenzepine penile_cancer SPECULATIVE 0.0886 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salicylic_acid urinary_bladder_cancer SPECULATIVE 0.0886 0.13333333333333333 lacosamide Speculative: Review salicylic_acid off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. clocortolone focal_segmental_glomerulosclerosis SPECULATIVE 0.0886 0.125 floctafenine Speculative: Review clocortolone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. difluprednate focal_segmental_glomerulosclerosis SPECULATIVE 0.0886 0.125 floctafenine Speculative: Review difluprednate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. estrone larynx_cancer SPECULATIVE 0.0886 0.125 methimazole Speculative: Review estrone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. menadione pancreatic_cancer SPECULATIVE 0.0886 0.125 sirolimus Speculative: Review menadione off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. menadione ulcerative_colitis SPECULATIVE 0.0886 0.125 capecitabine Speculative: Review menadione off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. nortriptyline meningioma SPECULATIVE 0.0886 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs meningioma mechanism. Phenotypic screen recommended. amitriptyline larynx_cancer SPECULATIVE 0.0886 0.1 podofilox Speculative: Review amitriptyline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. raloxifene nephrolithiasis SPECULATIVE 0.0886 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clodronate primary_biliary_cirrhosis SPECULATIVE 0.0886 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. cinolazepam sarcoma SPECULATIVE 0.0886 0.08333333333333333 practolol Speculative: Review cinolazepam off-target effects vs sarcoma mechanism. Phenotypic screen recommended. afatinib hematologic_cancer SPECULATIVE 0.0886 0.07142857142857142 topotecan Speculative: Review afatinib off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. chloroprocaine chronic_kidney_failure SPECULATIVE 0.0886 0.0625 methadone Speculative: Review chloroprocaine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. naftifine dilated_cardiomyopathy SPECULATIVE 0.0886 0.05555555555555555 hydrocortisone Speculative: Review naftifine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. diazepam alopecia_areata SPECULATIVE 0.0886 0.047619047619047616 levorphanol Speculative: Review diazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. acenocoumarol penile_cancer SPECULATIVE 0.0886 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. chlorphenesin creutzfeldt-jakob_disease SPECULATIVE 0.0886 0.03571428571428571 phenytoin Speculative: Review chlorphenesin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. bevantolol atherosclerosis SPECULATIVE 0.0886 0.030303030303030304 salsalate Speculative: Review bevantolol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. antazoline acquired_immunodeficiency_syndrome SPECULATIVE 0.0886 0.015151515151515152 adenosine_monophosphate Speculative: Review antazoline off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenosine chronic_kidney_failure SPECULATIVE 0.0886 0.0 cinolazepam Speculative: Review adenosine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. cytarabine narcolepsy SPECULATIVE 0.0886 0.0 phenylbutazone Speculative: Review cytarabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. gemcitabine gestational_diabetes SPECULATIVE 0.0886 0.0 tolazamide Speculative: Review gemcitabine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. isoprenaline bone_cancer SPECULATIVE 0.0886 0.0 ibandronate Speculative: Review isoprenaline off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. isoprenaline gestational_diabetes SPECULATIVE 0.0886 0.0 tolazamide Speculative: Review isoprenaline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-tryptophan bone_cancer SPECULATIVE 0.0886 0.0 ibandronate Speculative: Review l-tryptophan off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-tryptophan gestational_diabetes SPECULATIVE 0.0886 0.0 tolazamide Speculative: Review l-tryptophan off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vitamin_a membranous_glomerulonephritis SPECULATIVE 0.0886 0.0 methdilazine Speculative: Review vitamin_a off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenylbutazone liver_cancer GAP_HIGH 0.0885 0.22727272727272727 clozapine High-priority: Binding assay phenylbutazone→?; validate in liver_cancer cell model. Expected: similar to clozapine (Jaccard=0.23) ethopropazine salivary_gland_cancer GAP_HIGH 0.0885 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in salivary_gland_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) dexamethasone allergic_rhinitis GAP_HIGH 0.0885 0.16666666666666666 megestrol_acetate High-priority: Binding assay dexamethasone→?; validate in allergic_rhinitis cell model. Expected: similar to megestrol_acetate (Jaccard=0.17) meclizine membranous_glomerulonephritis SPECULATIVE 0.0885 0.1388888888888889 naftifine Speculative: Review meclizine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lacosamide duodenum_cancer SPECULATIVE 0.0885 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. lacosamide gallbladder_cancer SPECULATIVE 0.0885 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. lacosamide melanoma SPECULATIVE 0.0885 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs melanoma mechanism. Phenotypic screen recommended. moricizine meningioma SPECULATIVE 0.0885 0.13043478260869565 loperamide Speculative: Review moricizine off-target effects vs meningioma mechanism. Phenotypic screen recommended. doxorubicin asthma SPECULATIVE 0.0885 0.125 danazol Speculative: Review doxorubicin off-target effects vs asthma mechanism. Phenotypic screen recommended. doxorubicin breast_cancer SPECULATIVE 0.0885 0.125 danazol Speculative: Review doxorubicin off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. menadione ovarian_cancer SPECULATIVE 0.0885 0.125 capecitabine Speculative: Review menadione off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. menadione psoriasis SPECULATIVE 0.0885 0.125 sirolimus Speculative: Review menadione off-target effects vs psoriasis mechanism. Phenotypic screen recommended. diphemanil_methylsulfate nephrolithiasis SPECULATIVE 0.0885 0.12 procaine Speculative: Review diphemanil_methylsulfate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. pazopanib autistic_disorder SPECULATIVE 0.0885 0.11764705882352941 l-arginine Speculative: Review pazopanib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. levonordefrin focal_segmental_glomerulosclerosis SPECULATIVE 0.0885 0.07692307692307693 acetophenazine Speculative: Review levonordefrin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. vandetanib larynx_cancer SPECULATIVE 0.0885 0.07692307692307693 docetaxel Speculative: Review vandetanib off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. etidronic_acid creutzfeldt-jakob_disease SPECULATIVE 0.0885 0.06666666666666667 nateglinide Speculative: Review etidronic_acid off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. terbutaline prostate_cancer SPECULATIVE 0.0885 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. gefitinib lymphatic_system_cancer SPECULATIVE 0.0885 0.05 s-adenosylmethionine Speculative: Review gefitinib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ribavirin conduct_disorder SPECULATIVE 0.0885 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. ribavirin panic_disorder SPECULATIVE 0.0885 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. ribavirin schizophrenia SPECULATIVE 0.0885 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. trimipramine gestational_diabetes SPECULATIVE 0.0885 0.043478260869565216 glimepiride Speculative: Review trimipramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. spironolactone gestational_diabetes SPECULATIVE 0.0885 0.03571428571428571 bezafibrate Speculative: Review spironolactone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. allylestrenol larynx_cancer SPECULATIVE 0.0885 0.0 vinblastine Speculative: Review allylestrenol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxylamine larynx_cancer SPECULATIVE 0.0885 0.0 vinblastine Speculative: Review doxylamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. goserelin acquired_immunodeficiency_syndrome SPECULATIVE 0.0885 0.0 mitiglinide Speculative: Review goserelin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. levomilnacipran alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. metaraminol alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review metaraminol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. milnacipran alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. oxcarbazepine acquired_immunodeficiency_syndrome SPECULATIVE 0.0885 0.0 mitiglinide Speculative: Review oxcarbazepine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenindione acquired_immunodeficiency_syndrome SPECULATIVE 0.0885 0.0 mitiglinide Speculative: Review phenindione off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenoxybenzamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0885 0.0 mitiglinide Speculative: Review phenoxybenzamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. pimozide alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pirbuterol alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. probenecid larynx_cancer SPECULATIVE 0.0885 0.0 vinblastine Speculative: Review probenecid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salbutamol alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review salbutamol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. selegiline larynx_cancer SPECULATIVE 0.0885 0.0 vinblastine Speculative: Review selegiline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tolazoline larynx_cancer SPECULATIVE 0.0885 0.0 vinblastine Speculative: Review tolazoline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. zidovudine alopecia_areata SPECULATIVE 0.0885 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. doxorubicin epilepsy_syndrome SPECULATIVE 0.0884 0.11764705882352941 lisinopril Speculative: Review doxorubicin off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pargyline primary_biliary_cirrhosis SPECULATIVE 0.0884 0.11764705882352941 mitiglinide Speculative: Review pargyline off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. l-histidine ankylosing_spondylitis SPECULATIVE 0.0884 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. liothyronine chronic_kidney_failure SPECULATIVE 0.0884 0.1111111111111111 tiaprofenic_acid Speculative: Review liothyronine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. masoprocol membranous_glomerulonephritis SPECULATIVE 0.0884 0.10344827586206896 tamsulosin Speculative: Review masoprocol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. sorafenib chronic_kidney_failure SPECULATIVE 0.0884 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. diethylstilbestrol glaucoma SPECULATIVE 0.0884 0.1 methacholine Speculative: Review diethylstilbestrol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. liothyronine focal_segmental_glomerulosclerosis SPECULATIVE 0.0884 0.1 acetophenazine Speculative: Review liothyronine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. afatinib osteoarthritis SPECULATIVE 0.0884 0.09090909090909091 gliclazide Speculative: Review afatinib off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. clodronate hematologic_cancer SPECULATIVE 0.0884 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. vinblastine chronic_kidney_failure SPECULATIVE 0.0884 0.09090909090909091 promethazine Speculative: Review vinblastine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. clonidine glaucoma SPECULATIVE 0.0884 0.08333333333333333 choline Speculative: Review clonidine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. alverine intracranial_aneurysm SPECULATIVE 0.0884 0.07142857142857142 epirubicin Speculative: Review alverine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. teniposide type_1_diabetes_mellitus SPECULATIVE 0.0884 0.058823529411764705 exemestane Speculative: Review teniposide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. ethinyl_estradiol malaria SPECULATIVE 0.0884 0.05263157894736842 talbutal Speculative: Review ethinyl_estradiol off-target effects vs malaria mechanism. Phenotypic screen recommended. chloroprocaine focal_segmental_glomerulosclerosis SPECULATIVE 0.0884 0.05 moricizine Speculative: Review chloroprocaine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. anileridine kidney_cancer SPECULATIVE 0.0884 0.045454545454545456 proparacaine Speculative: Review anileridine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. regadenoson restless_legs_syndrome SPECULATIVE 0.0884 0.041666666666666664 caffeine Speculative: Review regadenoson off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. sorafenib acquired_immunodeficiency_syndrome SPECULATIVE 0.0884 0.037037037037037035 floxuridine Speculative: Review sorafenib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenosine_monophosphate focal_segmental_glomerulosclerosis SPECULATIVE 0.0884 0.028169014084507043 ethopropazine Speculative: Review adenosine_monophosphate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. benzphetamine dilated_cardiomyopathy SPECULATIVE 0.0884 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. emtricitabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0884 0.0 hydrocortisone Speculative: Review emtricitabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. emtricitabine epilepsy_syndrome SPECULATIVE 0.0884 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide chronic_obstructive_pulmonary_disease SPECULATIVE 0.0884 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide epilepsy_syndrome SPECULATIVE 0.0884 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tolterodine dilated_cardiomyopathy SPECULATIVE 0.0884 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. doxepin peripheral_nervous_system_neoplasm GAP_HIGH 0.0883 0.16666666666666666 tamoxifen High-priority: Binding assay doxepin→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.17) erlotinib psoriasis SPECULATIVE 0.0883 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs psoriasis mechanism. Phenotypic screen recommended. mequitazine brain_cancer SPECULATIVE 0.0883 0.125 alendronate Speculative: Review mequitazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mequitazine intracranial_aneurysm SPECULATIVE 0.0883 0.125 alendronate Speculative: Review mequitazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. oxaprozin celiac_disease SPECULATIVE 0.0883 0.12121212121212122 chlorcyclizine Speculative: Review oxaprozin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. pazopanib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0883 0.11764705882352941 menadione Speculative: Review pazopanib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. mefenamic_acid germ_cell_cancer SPECULATIVE 0.0883 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. midazolam urinary_bladder_cancer SPECULATIVE 0.0883 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. olsalazine hepatitis_b SPECULATIVE 0.0883 0.0967741935483871 glucosamine Speculative: Review olsalazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. doxorubicin membranous_glomerulonephritis SPECULATIVE 0.0883 0.09090909090909091 floxuridine Speculative: Review doxorubicin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. ketoprofen sclerosing_cholangitis SPECULATIVE 0.0883 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. mestranol creutzfeldt-jakob_disease SPECULATIVE 0.0883 0.09090909090909091 l-dopa Speculative: Review mestranol off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. diazepam meningioma SPECULATIVE 0.0883 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. cinolazepam thyroid_cancer SPECULATIVE 0.0883 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. terbutaline mediastinal_cancer SPECULATIVE 0.0883 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. phenformin prostate_cancer SPECULATIVE 0.0883 0.05714285714285714 fenoprofen Speculative: Review phenformin off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. butenafine lymphatic_system_cancer SPECULATIVE 0.0883 0.05 riboflavin Speculative: Review butenafine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. anileridine nephrolithiasis SPECULATIVE 0.0883 0.045454545454545456 proparacaine Speculative: Review anileridine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. bethanidine lymphatic_system_cancer SPECULATIVE 0.0883 0.045454545454545456 streptozocin Speculative: Review bethanidine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. bromodiphenhydramine lymphatic_system_cancer SPECULATIVE 0.0883 0.045454545454545456 riboflavin Speculative: Review bromodiphenhydramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ribavirin bipolar_disorder SPECULATIVE 0.0883 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. afatinib glaucoma SPECULATIVE 0.0883 0.04 masoprocol Speculative: Review afatinib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. betamethasone gestational_diabetes SPECULATIVE 0.0883 0.030303030303030304 bezafibrate Speculative: Review betamethasone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. doxylamine kidney_cancer SPECULATIVE 0.0883 0.01818181818181818 vandetanib Speculative: Review doxylamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. alitretinoin focal_segmental_glomerulosclerosis SPECULATIVE 0.0883 0.0 methdilazine Speculative: Review alitretinoin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. azacitidine focal_segmental_glomerulosclerosis SPECULATIVE 0.0883 0.0 methdilazine Speculative: Review azacitidine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. bromodiphenhydramine alcohol_dependence SPECULATIVE 0.0883 0.0 midazolam Speculative: Review bromodiphenhydramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. clotiazepam meningioma SPECULATIVE 0.0883 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. deferasirox alcohol_dependence SPECULATIVE 0.0883 0.0 midazolam Speculative: Review deferasirox off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. menadione alcohol_dependence SPECULATIVE 0.0883 0.0 midazolam Speculative: Review menadione off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. mitiglinide alcohol_dependence SPECULATIVE 0.0883 0.0 midazolam Speculative: Review mitiglinide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. regadenoson focal_segmental_glomerulosclerosis SPECULATIVE 0.0883 0.0 methdilazine Speculative: Review regadenoson off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. tenofovir meningioma SPECULATIVE 0.0883 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs meningioma mechanism. Phenotypic screen recommended. tretinoin focal_segmental_glomerulosclerosis SPECULATIVE 0.0883 0.0 methdilazine Speculative: Review tretinoin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ethopropazine ocular_cancer GAP_HIGH 0.0882 0.21212121212121213 modafinil High-priority: Binding assay ethopropazine→?; validate in ocular_cancer cell model. Expected: similar to modafinil (Jaccard=0.21) dexamethasone multiple_sclerosis GAP_HIGH 0.0882 0.16666666666666666 megestrol_acetate High-priority: Binding assay dexamethasone→?; validate in multiple_sclerosis cell model. Expected: similar to megestrol_acetate (Jaccard=0.17) fluticasone_propionate attention_deficit_hyperactivity_disorder GAP_HIGH 0.0882 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in attention_deficit_hyperactivity_disorder cell model. Expected: similar to ospemifene (Jaccard=0.17) promazine alopecia_areata SPECULATIVE 0.0882 0.14814814814814814 levorphanol Speculative: Review promazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenylpropanolamine sclerosing_cholangitis SPECULATIVE 0.0882 0.13793103448275862 phenacemide Speculative: Review phenylpropanolamine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. menadione systemic_lupus_erythematosus SPECULATIVE 0.0882 0.125 sirolimus Speculative: Review menadione off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. pazopanib alzheimers_disease SPECULATIVE 0.0882 0.11538461538461539 acetylsalicylic_acid Speculative: Review pazopanib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. sorafenib germ_cell_cancer SPECULATIVE 0.0882 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. azelastine penile_cancer SPECULATIVE 0.0882 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. bepridil brain_cancer SPECULATIVE 0.0882 0.1 epirubicin Speculative: Review bepridil off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bepridil intracranial_aneurysm SPECULATIVE 0.0882 0.1 epirubicin Speculative: Review bepridil off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. paclitaxel crohns_disease SPECULATIVE 0.0882 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. phenprocoumon brain_cancer SPECULATIVE 0.0882 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenprocoumon intracranial_aneurysm SPECULATIVE 0.0882 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. estradiol_valeratedienogest refractive_error SPECULATIVE 0.0882 0.07142857142857142 chlorphenesin Speculative: Review estradiol_valeratedienogest off-target effects vs refractive_error mechanism. Phenotypic screen recommended. levorphanol malaria SPECULATIVE 0.0882 0.07142857142857142 talbutal Speculative: Review levorphanol off-target effects vs malaria mechanism. Phenotypic screen recommended. sulfaphenazole germ_cell_cancer SPECULATIVE 0.0882 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. terbutaline thymus_cancer SPECULATIVE 0.0882 0.058823529411764705 ifenprodil Speculative: Review terbutaline off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. estradiol atherosclerosis SPECULATIVE 0.0882 0.05263157894736842 mesalazine Speculative: Review estradiol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. ribavirin endogenous_depression SPECULATIVE 0.0882 0.045454545454545456 isoprenaline Speculative: Review ribavirin off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. clofarabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0882 0.041666666666666664 dyphylline Speculative: Review clofarabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. l-glutamine metabolic_syndrome_x SPECULATIVE 0.0882 0.031914893617021274 bezafibrate Speculative: Review l-glutamine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. bevantolol lymphatic_system_cancer SPECULATIVE 0.0882 0.027777777777777776 riboflavin Speculative: Review bevantolol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. doxylamine nephrolithiasis SPECULATIVE 0.0882 0.01818181818181818 vandetanib Speculative: Review doxylamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. alitretinoin gilles_de_la_tourette_syndrome SPECULATIVE 0.0882 0.0 loxapine Speculative: Review alitretinoin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. amitriptyline bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review amitriptyline off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. amitriptyline gestational_diabetes SPECULATIVE 0.0882 0.0 tolazamide Speculative: Review amitriptyline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. azacitidine gilles_de_la_tourette_syndrome SPECULATIVE 0.0882 0.0 loxapine Speculative: Review azacitidine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. bepridil bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review bepridil off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. bepridil gestational_diabetes SPECULATIVE 0.0882 0.0 tolazamide Speculative: Review bepridil off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. diethylstilbestrol bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review diethylstilbestrol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. megestrol_acetate bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review megestrol_acetate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. norethindrone bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review norethindrone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. norethindrone gestational_diabetes SPECULATIVE 0.0882 0.0 tolazamide Speculative: Review norethindrone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. oxaprozin bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review oxaprozin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. regadenoson gilles_de_la_tourette_syndrome SPECULATIVE 0.0882 0.0 loxapine Speculative: Review regadenoson off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. tretinoin gilles_de_la_tourette_syndrome SPECULATIVE 0.0882 0.0 loxapine Speculative: Review tretinoin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. vindesine bone_cancer SPECULATIVE 0.0882 0.0 ibandronate Speculative: Review vindesine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. vindesine gestational_diabetes SPECULATIVE 0.0882 0.0 tolazamide Speculative: Review vindesine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. amcinonide alzheimers_disease GAP_HIGH 0.0881 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.18) clofedanol type_1_diabetes_mellitus GAP_HIGH 0.0881 0.1724137931034483 benzatropine High-priority: Binding assay clofedanol→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to benzatropine (Jaccard=0.17) chlorpromazine penile_cancer GAP_HIGH 0.0881 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) pipotiazine celiac_disease GAP_HIGH 0.0881 0.16129032258064516 chlorcyclizine High-priority: Binding assay pipotiazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.16) nateglinide gilles_de_la_tourette_syndrome SPECULATIVE 0.0881 0.12903225806451613 meclizine Speculative: Review nateglinide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. phensuximide pharynx_cancer SPECULATIVE 0.0881 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. pazopanib parkinsons_disease SPECULATIVE 0.0881 0.11538461538461539 acetylsalicylic_acid Speculative: Review pazopanib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. acetylsalicylic_acid brain_cancer SPECULATIVE 0.0881 0.0967741935483871 progesterone Speculative: Review acetylsalicylic_acid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. acetylsalicylic_acid intracranial_aneurysm SPECULATIVE 0.0881 0.0967741935483871 progesterone Speculative: Review acetylsalicylic_acid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fluticasone_propionate lymphatic_system_cancer SPECULATIVE 0.0881 0.09090909090909091 vinblastine Speculative: Review fluticasone_propionate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fludrocortisone gestational_diabetes SPECULATIVE 0.0881 0.05405405405405406 bezafibrate Speculative: Review fludrocortisone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. ketoprofen focal_segmental_glomerulosclerosis SPECULATIVE 0.0881 0.045454545454545456 tamsulosin Speculative: Review ketoprofen off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ribavirin migraine SPECULATIVE 0.0881 0.045454545454545456 menadione Speculative: Review ribavirin off-target effects vs migraine mechanism. Phenotypic screen recommended. adenosine_monophosphate celiac_disease SPECULATIVE 0.0881 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. amoxapine refractive_error SPECULATIVE 0.0881 0.03571428571428571 practolol Speculative: Review amoxapine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ethylmorphine hepatitis_b SPECULATIVE 0.0881 0.0 mitiglinide Speculative: Review ethylmorphine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tenofovir crohns_disease SPECULATIVE 0.0881 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. amcinonide nicotine_dependence GAP_HIGH 0.088 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.18) mequitazine ocular_cancer GAP_HIGH 0.088 0.16666666666666666 metaraminol High-priority: Binding assay mequitazine→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.17) propericiazine pharynx_cancer GAP_HIGH 0.088 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in pharynx_cancer cell model. Expected: similar to tioguanine (Jaccard=0.17) exemestane azoospermia SPECULATIVE 0.088 0.14285714285714285 dienestrol Speculative: Review exemestane off-target effects vs azoospermia mechanism. Phenotypic screen recommended. temazepam salivary_gland_cancer SPECULATIVE 0.088 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. diphemanil_methylsulfate refractive_error SPECULATIVE 0.088 0.11764705882352941 clonidine Speculative: Review diphemanil_methylsulfate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pazopanib asthma SPECULATIVE 0.088 0.11764705882352941 danazol Speculative: Review pazopanib off-target effects vs asthma mechanism. Phenotypic screen recommended. l-histidine pancreatitis SPECULATIVE 0.088 0.1111111111111111 aminosalicylic_acid Speculative: Review l-histidine off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. moricizine kidney_cancer SPECULATIVE 0.088 0.1111111111111111 proparacaine Speculative: Review moricizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. nortriptyline idiopathic_pulmonary_fibrosis SPECULATIVE 0.088 0.1111111111111111 diphenhydramine Speculative: Review nortriptyline off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pseudoephedrine larynx_cancer SPECULATIVE 0.088 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cyclizine refractive_error SPECULATIVE 0.088 0.1 decamethonium Speculative: Review cyclizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ethinyl_estradiol azoospermia SPECULATIVE 0.088 0.1 dienestrol Speculative: Review ethinyl_estradiol off-target effects vs azoospermia mechanism. Phenotypic screen recommended. prednisolone chronic_kidney_failure SPECULATIVE 0.088 0.09090909090909091 carbinoxamine Speculative: Review prednisolone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. salicylic_acid brain_cancer SPECULATIVE 0.088 0.08333333333333333 cyproterone_acetate Speculative: Review salicylic_acid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. salicylic_acid intracranial_aneurysm SPECULATIVE 0.088 0.08333333333333333 prednicarbate Speculative: Review salicylic_acid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vindesine coronary_artery_disease SPECULATIVE 0.088 0.08333333333333333 ketorolac Speculative: Review vindesine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate ankylosing_spondylitis SPECULATIVE 0.088 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. dimetacrine dilated_cardiomyopathy SPECULATIVE 0.088 0.06060606060606061 hydrocortisone Speculative: Review dimetacrine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ribavirin restless_legs_syndrome SPECULATIVE 0.088 0.05 orciprenaline Speculative: Review ribavirin off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. ramipril chronic_kidney_failure SPECULATIVE 0.088 0.047619047619047616 salsalate Speculative: Review ramipril off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. topotecan lymphatic_system_cancer SPECULATIVE 0.088 0.04 glucosamine Speculative: Review topotecan off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ramipril focal_segmental_glomerulosclerosis SPECULATIVE 0.088 0.037037037037037035 bevantolol Speculative: Review ramipril off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. adenosine_monophosphate glaucoma SPECULATIVE 0.088 0.029850746268656716 l-carnitine Speculative: Review adenosine_monophosphate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. amoxapine type_1_diabetes_mellitus SPECULATIVE 0.088 0.025 sulfapyridine Speculative: Review amoxapine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. alitretinoin type_1_diabetes_mellitus SPECULATIVE 0.088 0.0 hydrocortisone Speculative: Review alitretinoin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cyproheptadine atherosclerosis SPECULATIVE 0.088 0.0 fenoprofen Speculative: Review cyproheptadine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. diclofenamide type_1_diabetes_mellitus SPECULATIVE 0.088 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. difenoxin lymphatic_system_cancer SPECULATIVE 0.088 0.0 vinblastine Speculative: Review difenoxin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. disopyramide atherosclerosis SPECULATIVE 0.088 0.0 fenoprofen Speculative: Review disopyramide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. disopyramide lymphatic_system_cancer SPECULATIVE 0.088 0.0 vinblastine Speculative: Review disopyramide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. isocarboxazid lymphatic_system_cancer SPECULATIVE 0.088 0.0 vinblastine Speculative: Review isocarboxazid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. oxazepam lymphatic_system_cancer SPECULATIVE 0.088 0.0 vinblastine Speculative: Review oxazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pentostatin atherosclerosis SPECULATIVE 0.088 0.0 fenoprofen Speculative: Review pentostatin off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. phenmetrazine lymphatic_system_cancer SPECULATIVE 0.088 0.0 vinblastine Speculative: Review phenmetrazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tretinoin type_1_diabetes_mellitus SPECULATIVE 0.088 0.0 hydrocortisone Speculative: Review tretinoin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fluticasone_propionate panic_disorder GAP_HIGH 0.0879 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in panic_disorder cell model. Expected: similar to ospemifene (Jaccard=0.17) fluticasone_propionate schizophrenia GAP_HIGH 0.0879 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in schizophrenia cell model. Expected: similar to ospemifene (Jaccard=0.17) dimetacrine type_1_diabetes_mellitus SPECULATIVE 0.0879 0.15 cyclopentolate Speculative: Review dimetacrine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. pazopanib atopic_dermatitis SPECULATIVE 0.0879 0.11764705882352941 menadione Speculative: Review pazopanib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. moricizine nephrolithiasis SPECULATIVE 0.0879 0.1111111111111111 proparacaine Speculative: Review moricizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ethinyl_estradiol refractive_error SPECULATIVE 0.0879 0.09090909090909091 carboprost_tromethamine Speculative: Review ethinyl_estradiol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. erlotinib glaucoma SPECULATIVE 0.0879 0.08333333333333333 dinoprost_tromethamine Speculative: Review erlotinib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. sulfadiazine nephrolithiasis SPECULATIVE 0.0879 0.05 fluticasone_propionate Speculative: Review sulfadiazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. l-phenylalanine penile_cancer SPECULATIVE 0.0879 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. ifenprodil alcohol_dependence SPECULATIVE 0.0879 0.04 ethylmorphine Speculative: Review ifenprodil off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. pimozide gout SPECULATIVE 0.0879 0.037037037037037035 modafinil Speculative: Review pimozide off-target effects vs gout mechanism. Phenotypic screen recommended. diphenhydramine bone_cancer SPECULATIVE 0.0879 0.034482758620689655 alendronate Speculative: Review diphenhydramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. trimipramine primary_biliary_cirrhosis GAP_HIGH 0.0878 0.2 tamoxifen High-priority: Binding assay trimipramine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tamoxifen (Jaccard=0.20) pirenzepine meningioma SPECULATIVE 0.0878 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs meningioma mechanism. Phenotypic screen recommended. temazepam ocular_cancer SPECULATIVE 0.0878 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine ankylosing_spondylitis SPECULATIVE 0.0878 0.13793103448275862 phenacemide Speculative: Review phenylpropanolamine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. erlotinib osteoarthritis SPECULATIVE 0.0878 0.13636363636363635 sorafenib Speculative: Review erlotinib off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. erlotinib epilepsy_syndrome SPECULATIVE 0.0878 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pazopanib restless_legs_syndrome SPECULATIVE 0.0878 0.125 trimethoprim Speculative: Review pazopanib off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. phentermine lung_cancer SPECULATIVE 0.0878 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. phentermine rectum_cancer SPECULATIVE 0.0878 0.125 methotrimeprazine Speculative: Review phentermine off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. pazopanib allergic_rhinitis SPECULATIVE 0.0878 0.11764705882352941 menadione Speculative: Review pazopanib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. phentermine prostate_cancer SPECULATIVE 0.0878 0.1111111111111111 thioproperazine Speculative: Review phentermine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. paclitaxel idiopathic_pulmonary_fibrosis SPECULATIVE 0.0878 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. menadione membranous_glomerulonephritis SPECULATIVE 0.0878 0.09090909090909091 trifluridine Speculative: Review menadione off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. cabazitaxel celiac_disease SPECULATIVE 0.0878 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. cortisone_acetate atherosclerosis SPECULATIVE 0.0878 0.07142857142857142 salicylic_acid Speculative: Review cortisone_acetate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate epilepsy_syndrome SPECULATIVE 0.0878 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. s-adenosylmethionine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0878 0.05084745762711865 zafirlukast Speculative: Review s-adenosylmethionine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. l-glutamine obesity SPECULATIVE 0.0878 0.031914893617021274 bezafibrate Speculative: Review l-glutamine off-target effects vs obesity mechanism. Phenotypic screen recommended. dydrogesterone gestational_diabetes SPECULATIVE 0.0878 0.029411764705882353 bezafibrate Speculative: Review dydrogesterone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alfacalcidol head_and_neck_cancer SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alfacalcidol malignant_glioma SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. calcidiol head_and_neck_cancer SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. calcidiol malignant_glioma SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. calcipotriol head_and_neck_cancer SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. calcipotriol malignant_glioma SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cyproterone_acetate acquired_immunodeficiency_syndrome SPECULATIVE 0.0878 0.0 mitiglinide Speculative: Review cyproterone_acetate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. dihydrotachysterol head_and_neck_cancer SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol malignant_glioma SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. emtricitabine alzheimers_disease SPECULATIVE 0.0878 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. erlotinib dilated_cardiomyopathy SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review erlotinib off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide alzheimers_disease SPECULATIVE 0.0878 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. mepenzolate dilated_cardiomyopathy SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. midazolam acquired_immunodeficiency_syndrome SPECULATIVE 0.0878 0.0 mitiglinide Speculative: Review midazolam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenprocoumon dilated_cardiomyopathy SPECULATIVE 0.0878 0.0 hydrocortisone Speculative: Review phenprocoumon off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fluticasone_propionate bipolar_disorder GAP_HIGH 0.0877 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in bipolar_disorder cell model. Expected: similar to ospemifene (Jaccard=0.17) mequitazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0877 0.16666666666666666 atropine High-priority: Binding assay mequitazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atropine (Jaccard=0.17) tiaprofenic_acid uterine_cancer GAP_HIGH 0.0877 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in uterine_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) pseudoephedrine malignant_mesothelioma GAP_HIGH 0.0877 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in malignant_mesothelioma cell model. Expected: similar to fenoprofen (Jaccard=0.15) zuclopenthixol type_1_diabetes_mellitus SPECULATIVE 0.0877 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. sunitinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0877 0.1111111111111111 dexamethasone Speculative: Review sunitinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. mefenamic_acid penile_cancer SPECULATIVE 0.0877 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. moricizine brain_cancer SPECULATIVE 0.0877 0.10526315789473684 levorphanol Speculative: Review moricizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. menadione crohns_disease SPECULATIVE 0.0877 0.1 sorafenib Speculative: Review menadione off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. mestranol epilepsy_syndrome SPECULATIVE 0.0877 0.09090909090909091 l-dopa Speculative: Review mestranol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. flurandrenolide malaria SPECULATIVE 0.0877 0.0625 sulfanilamide Speculative: Review flurandrenolide off-target effects vs malaria mechanism. Phenotypic screen recommended. sorafenib malaria SPECULATIVE 0.0877 0.06060606060606061 sulfapyridine Speculative: Review sorafenib off-target effects vs malaria mechanism. Phenotypic screen recommended. midazolam brain_cancer SPECULATIVE 0.0877 0.058823529411764705 levorphanol Speculative: Review midazolam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenylbutazone gestational_diabetes SPECULATIVE 0.0877 0.05 tolbutamide Speculative: Review phenylbutazone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alcaftadine prostate_cancer SPECULATIVE 0.0877 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. acenocoumarol meningioma SPECULATIVE 0.0877 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs meningioma mechanism. Phenotypic screen recommended. methdilazine gestational_diabetes SPECULATIVE 0.0877 0.02702702702702703 bezafibrate Speculative: Review methdilazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alfacalcidol kidney_cancer SPECULATIVE 0.0877 0.0 oxybuprocaine Speculative: Review alfacalcidol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. atomoxetine bone_cancer SPECULATIVE 0.0877 0.0 ibandronate Speculative: Review atomoxetine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. calcidiol kidney_cancer SPECULATIVE 0.0877 0.0 oxybuprocaine Speculative: Review calcidiol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. calcipotriol kidney_cancer SPECULATIVE 0.0877 0.0 oxybuprocaine Speculative: Review calcipotriol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cyclizine gestational_diabetes SPECULATIVE 0.0877 0.0 tolazamide Speculative: Review cyclizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. droperidol glaucoma SPECULATIVE 0.0877 0.0 pirbuterol Speculative: Review droperidol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. emtricitabine autistic_disorder SPECULATIVE 0.0877 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. emtricitabine nicotine_dependence SPECULATIVE 0.0877 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. emtricitabine parkinsons_disease SPECULATIVE 0.0877 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide autistic_disorder SPECULATIVE 0.0877 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide nicotine_dependence SPECULATIVE 0.0877 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide parkinsons_disease SPECULATIVE 0.0877 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. fluspirilene glaucoma SPECULATIVE 0.0877 0.0 pirbuterol Speculative: Review fluspirilene off-target effects vs glaucoma mechanism. Phenotypic screen recommended. indecainide gestational_diabetes SPECULATIVE 0.0877 0.0 tolazamide Speculative: Review indecainide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. nandrolone_phenpropionate glaucoma SPECULATIVE 0.0877 0.0 pirbuterol Speculative: Review nandrolone_phenpropionate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. nelarabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0877 0.0 hydrocortisone Speculative: Review nelarabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. procarbazine bone_cancer SPECULATIVE 0.0877 0.0 ibandronate Speculative: Review procarbazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tenofovir idiopathic_pulmonary_fibrosis SPECULATIVE 0.0877 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. fenoprofen uterine_cancer GAP_HIGH 0.0876 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in uterine_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) fentanyl membranous_glomerulonephritis GAP_HIGH 0.0876 0.17391304347826086 promethazine High-priority: Binding assay fentanyl→?; validate in membranous_glomerulonephritis cell model. Expected: similar to promethazine (Jaccard=0.17) fluticasone_propionate endogenous_depression GAP_HIGH 0.0876 0.16666666666666666 ospemifene High-priority: Binding assay fluticasone_propionate→?; validate in endogenous_depression cell model. Expected: similar to ospemifene (Jaccard=0.17) liothyronine urinary_bladder_cancer SPECULATIVE 0.0876 0.14285714285714285 mesalazine Speculative: Review liothyronine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. meclizine kidney_cancer SPECULATIVE 0.0876 0.125 dapsone Speculative: Review meclizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. menadione systemic_scleroderma SPECULATIVE 0.0876 0.125 sirolimus Speculative: Review menadione off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. beclomethasone focal_segmental_glomerulosclerosis SPECULATIVE 0.0876 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. pazopanib multiple_sclerosis SPECULATIVE 0.0876 0.11764705882352941 menadione Speculative: Review pazopanib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. isoprenaline membranous_glomerulonephritis SPECULATIVE 0.0876 0.1111111111111111 acetophenazine Speculative: Review isoprenaline off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. chlordiazepoxide brain_cancer SPECULATIVE 0.0876 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide intracranial_aneurysm SPECULATIVE 0.0876 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cabazitaxel germ_cell_cancer SPECULATIVE 0.0876 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. dexamethasone lymphatic_system_cancer SPECULATIVE 0.0876 0.07142857142857142 glucosamine Speculative: Review dexamethasone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. floxuridine atopic_dermatitis SPECULATIVE 0.0876 0.07142857142857142 sirolimus Speculative: Review floxuridine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. methylprednisolone gilles_de_la_tourette_syndrome SPECULATIVE 0.0876 0.07142857142857142 carbinoxamine Speculative: Review methylprednisolone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. procainamide gilles_de_la_tourette_syndrome SPECULATIVE 0.0876 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sulfaphenazole penile_cancer SPECULATIVE 0.0876 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. clocortolone alcohol_dependence SPECULATIVE 0.0876 0.047619047619047616 levorphanol Speculative: Review clocortolone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. difluprednate alcohol_dependence SPECULATIVE 0.0876 0.047619047619047616 levorphanol Speculative: Review difluprednate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-phenylalanine malignant_mesothelioma SPECULATIVE 0.0876 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. vandetanib atherosclerosis SPECULATIVE 0.0876 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. beclomethasone alcohol_dependence SPECULATIVE 0.0876 0.045454545454545456 levorphanol Speculative: Review beclomethasone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. gefitinib atherosclerosis SPECULATIVE 0.0876 0.043478260869565216 acetylsalicylic_acid Speculative: Review gefitinib off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. ribavirin autistic_disorder SPECULATIVE 0.0876 0.04 flurazepam Speculative: Review ribavirin off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. lapatinib hepatitis_b SPECULATIVE 0.0876 0.02857142857142857 adenosine_triphosphate Speculative: Review lapatinib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alfacalcidol nephrolithiasis SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. alfacalcidol refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review alfacalcidol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. calcidiol nephrolithiasis SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. calcidiol refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review calcidiol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. calcipotriol nephrolithiasis SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. calcipotriol refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review calcipotriol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ceruletide refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review ceruletide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. dihydrotachysterol nephrolithiasis SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. emtricitabine amyotrophic_lateral_sclerosis SPECULATIVE 0.0876 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. estazolam esophageal_cancer SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review estazolam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide amyotrophic_lateral_sclerosis SPECULATIVE 0.0876 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. olanzapine refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review olanzapine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pimozide esophageal_cancer SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. pirbuterol esophageal_cancer SPECULATIVE 0.0876 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. tenofovir prostate_cancer SPECULATIVE 0.0876 0.0 phenylbutazone Speculative: Review tenofovir off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. ziprasidone refractive_error SPECULATIVE 0.0876 0.0 pirbuterol Speculative: Review ziprasidone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. betamethasone alzheimers_disease GAP_HIGH 0.0875 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.19) amcinonide panic_disorder GAP_HIGH 0.0875 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) amitriptyline peripheral_nervous_system_neoplasm GAP_HIGH 0.0875 0.16666666666666666 tamoxifen High-priority: Binding assay amitriptyline→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.17) methotrexate epilepsy_syndrome SPECULATIVE 0.0875 0.125 pyrimethamine Speculative: Review methotrexate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. phensuximide salivary_gland_cancer SPECULATIVE 0.0875 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. mefenamic_acid malignant_mesothelioma SPECULATIVE 0.0875 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. cortisone_acetate glaucoma SPECULATIVE 0.0875 0.1 dinoprost_tromethamine Speculative: Review cortisone_acetate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. paclitaxel gout SPECULATIVE 0.0875 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs gout mechanism. Phenotypic screen recommended. clodronate duodenum_cancer SPECULATIVE 0.0875 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. clodronate gallbladder_cancer SPECULATIVE 0.0875 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. bezafibrate malaria SPECULATIVE 0.0875 0.07894736842105263 sulfapyridine Speculative: Review bezafibrate off-target effects vs malaria mechanism. Phenotypic screen recommended. alverine head_and_neck_cancer SPECULATIVE 0.0875 0.07142857142857142 epirubicin Speculative: Review alverine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alverine malignant_glioma SPECULATIVE 0.0875 0.07142857142857142 epirubicin Speculative: Review alverine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vindesine azoospermia SPECULATIVE 0.0875 0.07142857142857142 promethazine Speculative: Review vindesine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. anisotropine_methylbromide lung_cancer SPECULATIVE 0.0875 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide rectum_cancer SPECULATIVE 0.0875 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. sulfapyridine larynx_cancer SPECULATIVE 0.0875 0.045454545454545456 clodronate Speculative: Review sulfapyridine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. warfarin gestational_diabetes SPECULATIVE 0.0875 0.03225806451612903 bezafibrate Speculative: Review warfarin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. s-adenosylmethionine focal_segmental_glomerulosclerosis SPECULATIVE 0.0875 0.014492753623188406 bevantolol Speculative: Review s-adenosylmethionine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. cytarabine creutzfeldt-jakob_disease SPECULATIVE 0.0875 0.0 loxapine Speculative: Review cytarabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. ethylmorphine larynx_cancer SPECULATIVE 0.0875 0.0 vinblastine Speculative: Review ethylmorphine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. hydromorphone larynx_cancer SPECULATIVE 0.0875 0.0 vinblastine Speculative: Review hydromorphone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. practolol larynx_cancer SPECULATIVE 0.0875 0.0 vinblastine Speculative: Review practolol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. betamethasone nicotine_dependence GAP_HIGH 0.0874 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.19) amcinonide conduct_disorder GAP_HIGH 0.0874 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) propericiazine salivary_gland_cancer GAP_HIGH 0.0874 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in salivary_gland_cancer cell model. Expected: similar to tioguanine (Jaccard=0.17) loperamide brain_cancer GAP_HIGH 0.0874 0.16 levorphanol High-priority: Binding assay loperamide→?; validate in brain_cancer cell model. Expected: similar to levorphanol (Jaccard=0.16) thioproperazine glaucoma GAP_HIGH 0.0874 0.15384615384615385 metaraminol High-priority: Binding assay thioproperazine→?; validate in glaucoma cell model. Expected: similar to metaraminol (Jaccard=0.15) carbinoxamine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0874 0.14285714285714285 atomoxetine Speculative: Review carbinoxamine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. temazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0874 0.14285714285714285 alendronate Speculative: Review temazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. mequitazine head_and_neck_cancer SPECULATIVE 0.0874 0.125 alendronate Speculative: Review mequitazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. mequitazine malignant_glioma SPECULATIVE 0.0874 0.125 alendronate Speculative: Review mequitazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. mazindol germ_cell_cancer SPECULATIVE 0.0874 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. thioproperazine atherosclerosis SPECULATIVE 0.0874 0.1111111111111111 phentermine Speculative: Review thioproperazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. voacamine creutzfeldt-jakob_disease SPECULATIVE 0.0874 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. azelastine meningioma SPECULATIVE 0.0874 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs meningioma mechanism. Phenotypic screen recommended. bromfenac larynx_cancer SPECULATIVE 0.0874 0.1 procarbazine Speculative: Review bromfenac off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pargyline kidney_cancer SPECULATIVE 0.0874 0.09090909090909091 gliclazide Speculative: Review pargyline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. afatinib migraine SPECULATIVE 0.0874 0.08333333333333333 zonisamide Speculative: Review afatinib off-target effects vs migraine mechanism. Phenotypic screen recommended. teniposide crohns_disease SPECULATIVE 0.0874 0.07692307692307693 amitriptyline Speculative: Review teniposide off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. fenoprofen dilated_cardiomyopathy SPECULATIVE 0.0874 0.07142857142857142 drospirenone Speculative: Review fenoprofen off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. flurbiprofen hepatitis_b SPECULATIVE 0.0874 0.0625 mitiglinide Speculative: Review flurbiprofen off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. suprofen brain_cancer SPECULATIVE 0.0874 0.0625 cyproterone_acetate Speculative: Review suprofen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methylprednisolone larynx_cancer SPECULATIVE 0.0874 0.058823529411764705 doxorubicin Speculative: Review methylprednisolone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. terbutaline membranous_glomerulonephritis SPECULATIVE 0.0874 0.043478260869565216 tamsulosin Speculative: Review terbutaline off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lisinopril focal_segmental_glomerulosclerosis SPECULATIVE 0.0874 0.037037037037037035 bevantolol Speculative: Review lisinopril off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. metoclopramide lymphatic_system_cancer SPECULATIVE 0.0874 0.02857142857142857 s-adenosylmethionine Speculative: Review metoclopramide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. alprazolam intracranial_aneurysm SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clofarabine alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review clofarabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clotiazepam primary_biliary_cirrhosis SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review clotiazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. diclofenamide brain_cancer SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diclofenamide intracranial_aneurysm SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dipivefrin brain_cancer SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dipivefrin intracranial_aneurysm SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. doxylamine alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review doxylamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. droperidol intracranial_aneurysm SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review droperidol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. emtricitabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0874 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0874 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. fluspirilene intracranial_aneurysm SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review fluspirilene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. furosemide brain_cancer SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review furosemide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. probenecid alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review probenecid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ribavirin alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review ribavirin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. selegiline alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review selegiline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. sulfamethizole alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review sulfamethizole off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. tenofovir gout SPECULATIVE 0.0874 0.0 methdilazine Speculative: Review tenofovir off-target effects vs gout mechanism. Phenotypic screen recommended. tenofovir mediastinal_cancer SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. tolazoline alopecia_areata SPECULATIVE 0.0874 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. amcinonide bipolar_disorder GAP_HIGH 0.0873 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.18) chlorpromazine meningioma GAP_HIGH 0.0873 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.16) pseudoephedrine gout GAP_HIGH 0.0873 0.16 diclofenac High-priority: Binding assay pseudoephedrine→?; validate in gout cell model. Expected: similar to diclofenac (Jaccard=0.16) sorafenib breast_cancer SPECULATIVE 0.0873 0.13636363636363635 erlotinib Speculative: Review sorafenib off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. mequitazine kidney_cancer SPECULATIVE 0.0873 0.125 alendronate Speculative: Review mequitazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. mequitazine nephrolithiasis SPECULATIVE 0.0873 0.125 alendronate Speculative: Review mequitazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. menadione chronic_obstructive_pulmonary_disease SPECULATIVE 0.0873 0.1111111111111111 dipivefrin Speculative: Review menadione off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. salsalate larynx_cancer SPECULATIVE 0.0873 0.10526315789473684 procarbazine Speculative: Review salsalate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bepridil head_and_neck_cancer SPECULATIVE 0.0873 0.1 epirubicin Speculative: Review bepridil off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bepridil malignant_glioma SPECULATIVE 0.0873 0.1 epirubicin Speculative: Review bepridil off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acetylsalicylic_acid malignant_glioma SPECULATIVE 0.0873 0.0967741935483871 progesterone Speculative: Review acetylsalicylic_acid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenprocoumon head_and_neck_cancer SPECULATIVE 0.0873 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenprocoumon malignant_glioma SPECULATIVE 0.0873 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phentermine brain_cancer SPECULATIVE 0.0873 0.08333333333333333 alendronate Speculative: Review phentermine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phentermine intracranial_aneurysm SPECULATIVE 0.0873 0.08333333333333333 alendronate Speculative: Review phentermine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cinolazepam urinary_bladder_cancer SPECULATIVE 0.0873 0.07407407407407407 phenytoin Speculative: Review cinolazepam off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. vindesine membranous_glomerulonephritis SPECULATIVE 0.0873 0.07142857142857142 promethazine Speculative: Review vindesine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. oxaprozin lymphatic_system_cancer SPECULATIVE 0.0873 0.06666666666666667 vinblastine Speculative: Review oxaprozin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide liver_cancer SPECULATIVE 0.0873 0.058823529411764705 levorphanol Speculative: Review anisotropine_methylbromide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. sulfaphenazole malignant_mesothelioma SPECULATIVE 0.0873 0.058823529411764705 pralatrexate Speculative: Review sulfaphenazole off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. sorafenib lymphatic_system_cancer SPECULATIVE 0.0873 0.05555555555555555 vinblastine Speculative: Review sorafenib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. temazepam atherosclerosis SPECULATIVE 0.0873 0.05555555555555555 phentermine Speculative: Review temazepam off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alcaftadine narcolepsy SPECULATIVE 0.0873 0.045454545454545456 bevantolol Speculative: Review alcaftadine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. l-glutamine type_2_diabetes_mellitus SPECULATIVE 0.0873 0.031914893617021274 bezafibrate Speculative: Review l-glutamine off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. bromodiphenhydramine dilated_cardiomyopathy SPECULATIVE 0.0873 0.0 hydrocortisone Speculative: Review bromodiphenhydramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ceruletide chronic_kidney_failure SPECULATIVE 0.0873 0.0 cinolazepam Speculative: Review ceruletide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. chlorphenesin chronic_kidney_failure SPECULATIVE 0.0873 0.0 cinolazepam Speculative: Review chlorphenesin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. deferasirox dilated_cardiomyopathy SPECULATIVE 0.0873 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pentostatin malaria SPECULATIVE 0.0873 0.0 ethotoin Speculative: Review pentostatin off-target effects vs malaria mechanism. Phenotypic screen recommended. tenofovir thymus_cancer SPECULATIVE 0.0873 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. amcinonide endogenous_depression GAP_HIGH 0.0872 0.18181818181818182 levorphanol High-priority: Binding assay amcinonide→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.18) erlotinib alzheimers_disease SPECULATIVE 0.0872 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. erlotinib parkinsons_disease SPECULATIVE 0.0872 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenylpropanolamine primary_biliary_cirrhosis SPECULATIVE 0.0872 0.125 mitiglinide Speculative: Review phenylpropanolamine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. phensuximide ocular_cancer SPECULATIVE 0.0872 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. doxorubicin panic_disorder SPECULATIVE 0.0872 0.11764705882352941 lisinopril Speculative: Review doxorubicin off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. doxorubicin schizophrenia SPECULATIVE 0.0872 0.11764705882352941 lisinopril Speculative: Review doxorubicin off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. sunitinib migraine SPECULATIVE 0.0872 0.11764705882352941 trimethoprim Speculative: Review sunitinib off-target effects vs migraine mechanism. Phenotypic screen recommended. amitriptyline glaucoma SPECULATIVE 0.0872 0.1111111111111111 metaraminol Speculative: Review amitriptyline off-target effects vs glaucoma mechanism. Phenotypic screen recommended. metoclopramide coronary_artery_disease SPECULATIVE 0.0872 0.1111111111111111 chloroprocaine Speculative: Review metoclopramide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. sorafenib azoospermia SPECULATIVE 0.0872 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs azoospermia mechanism. Phenotypic screen recommended. bepridil kidney_cancer SPECULATIVE 0.0872 0.1 epirubicin Speculative: Review bepridil off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. lacosamide kidney_cancer SPECULATIVE 0.0872 0.1 acetaminophen Speculative: Review lacosamide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. vandetanib celiac_disease SPECULATIVE 0.0872 0.1 sorafenib Speculative: Review vandetanib off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. ketoprofen lung_cancer SPECULATIVE 0.0872 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. ketoprofen rectum_cancer SPECULATIVE 0.0872 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. vinblastine azoospermia SPECULATIVE 0.0872 0.09090909090909091 promethazine Speculative: Review vinblastine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. pazopanib membranous_glomerulonephritis SPECULATIVE 0.0872 0.08333333333333333 adefovir_dipivoxil Speculative: Review pazopanib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenprocoumon kidney_cancer SPECULATIVE 0.0872 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol gilles_de_la_tourette_syndrome SPECULATIVE 0.0872 0.07692307692307693 clotrimazole Speculative: Review ethinyl_estradiol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. diazepam germ_cell_cancer SPECULATIVE 0.0872 0.07142857142857142 alendronate Speculative: Review diazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. clonidine alopecia_areata SPECULATIVE 0.0872 0.06666666666666667 dexamethasone Speculative: Review clonidine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. etidronic_acid alzheimers_disease SPECULATIVE 0.0872 0.06666666666666667 nateglinide Speculative: Review etidronic_acid off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate alzheimers_disease SPECULATIVE 0.0872 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. adenosine_triphosphate parkinsons_disease SPECULATIVE 0.0872 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. bepridil atherosclerosis SPECULATIVE 0.0872 0.058823529411764705 pargyline Speculative: Review bepridil off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pemetrexed alzheimers_disease SPECULATIVE 0.0872 0.05263157894736842 acetylsalicylic_acid Speculative: Review pemetrexed off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. vidarabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0872 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. etidronic_acid type_1_diabetes_mellitus SPECULATIVE 0.0872 0.045454545454545456 sulfapyridine Speculative: Review etidronic_acid off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fluocinonide alcohol_dependence SPECULATIVE 0.0872 0.045454545454545456 levorphanol Speculative: Review fluocinonide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. gemcitabine atherosclerosis SPECULATIVE 0.0872 0.045454545454545456 acetylsalicylic_acid Speculative: Review gemcitabine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. ethopropazine bone_cancer SPECULATIVE 0.0872 0.043478260869565216 tetrahydrofolic_acid Speculative: Review ethopropazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. pralatrexate alzheimers_disease SPECULATIVE 0.0872 0.043478260869565216 acetylsalicylic_acid Speculative: Review pralatrexate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. bevantolol larynx_cancer SPECULATIVE 0.0872 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol atherosclerosis SPECULATIVE 0.0872 0.041666666666666664 mesalazine Speculative: Review ethinyl_estradiol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. ribavirin nicotine_dependence SPECULATIVE 0.0872 0.038461538461538464 phenylpropanolamine Speculative: Review ribavirin off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. acetophenazine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review acetophenazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. acetophenazine gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review acetophenazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alvimopan bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review alvimopan off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. butenafine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review butenafine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. butenafine gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review butenafine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. dexamethasone gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review dexamethasone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. doxepin bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review doxepin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. doxepin gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review doxepin off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. emtricitabine panic_disorder SPECULATIVE 0.0872 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. exemestane leprosy SPECULATIVE 0.0872 0.0 sulfapyridine Speculative: Review exemestane off-target effects vs leprosy mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide panic_disorder SPECULATIVE 0.0872 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. l-histidine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review l-histidine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-histidine gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review l-histidine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lamivudine gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review lamivudine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. levonordefrin alcohol_dependence SPECULATIVE 0.0872 0.0 midazolam Speculative: Review levonordefrin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. medrysone leprosy SPECULATIVE 0.0872 0.0 sulfapyridine Speculative: Review medrysone off-target effects vs leprosy mechanism. Phenotypic screen recommended. mesalazine leprosy SPECULATIVE 0.0872 0.0 sulfapyridine Speculative: Review mesalazine off-target effects vs leprosy mechanism. Phenotypic screen recommended. phenylpropanolamine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review phenylpropanolamine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine gestational_diabetes SPECULATIVE 0.0872 0.0 tolazamide Speculative: Review phenylpropanolamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pseudoephedrine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review pseudoephedrine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. vinblastine bone_cancer SPECULATIVE 0.0872 0.0 ibandronate Speculative: Review vinblastine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fenoprofen osteoarthritis GAP_HIGH 0.0871 0.2571428571428571 suprofen High-priority: Binding assay fenoprofen→?; validate in osteoarthritis cell model. Expected: similar to suprofen (Jaccard=0.26) fenoprofen penile_cancer GAP_HIGH 0.0871 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in penile_cancer cell model. Expected: similar to procarbazine (Jaccard=0.21) propericiazine ocular_cancer GAP_HIGH 0.0871 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in ocular_cancer cell model. Expected: similar to tioguanine (Jaccard=0.17) tiaprofenic_acid vaginal_cancer GAP_HIGH 0.0871 0.16666666666666666 clonidine High-priority: Binding assay tiaprofenic_acid→?; validate in vaginal_cancer cell model. Expected: similar to clonidine (Jaccard=0.17) phenylbutazone focal_segmental_glomerulosclerosis GAP_HIGH 0.0871 0.16129032258064516 chlorpromazine High-priority: Binding assay phenylbutazone→?; validate in focal_segmental_glomerulosclerosis cell model. Expected: similar to chlorpromazine (Jaccard=0.16) vandetanib hematologic_cancer SPECULATIVE 0.0871 0.13043478260869565 ponatinib Speculative: Review vandetanib off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. erlotinib autistic_disorder SPECULATIVE 0.0871 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. exemestane glaucoma SPECULATIVE 0.0871 0.125 carboprost_tromethamine Speculative: Review exemestane off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clonidine muscle_cancer SPECULATIVE 0.0871 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. doxorubicin allergic_rhinitis SPECULATIVE 0.0871 0.11764705882352941 lisinopril Speculative: Review doxorubicin off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. pazopanib creutzfeldt-jakob_disease SPECULATIVE 0.0871 0.10344827586206896 pseudoephedrine Speculative: Review pazopanib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. bepridil nephrolithiasis SPECULATIVE 0.0871 0.1 epirubicin Speculative: Review bepridil off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. menadione gout SPECULATIVE 0.0871 0.1 sorafenib Speculative: Review menadione off-target effects vs gout mechanism. Phenotypic screen recommended. phentermine penile_cancer SPECULATIVE 0.0871 0.1 topotecan Speculative: Review phentermine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. phenprocoumon nephrolithiasis SPECULATIVE 0.0871 0.08333333333333333 epirubicin Speculative: Review phenprocoumon off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. salicylic_acid head_and_neck_cancer SPECULATIVE 0.0871 0.08333333333333333 prednicarbate Speculative: Review salicylic_acid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. salicylic_acid malignant_glioma SPECULATIVE 0.0871 0.08333333333333333 prednicarbate Speculative: Review salicylic_acid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. aminosalicylic_acid acquired_immunodeficiency_syndrome SPECULATIVE 0.0871 0.07142857142857142 lisinopril Speculative: Review aminosalicylic_acid off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. etidronic_acid autistic_disorder SPECULATIVE 0.0871 0.06666666666666667 nateglinide Speculative: Review etidronic_acid off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. adenosine_triphosphate autistic_disorder SPECULATIVE 0.0871 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. promazine dilated_cardiomyopathy SPECULATIVE 0.0871 0.05555555555555555 hydrocortisone Speculative: Review promazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. tamoxifen dilated_cardiomyopathy SPECULATIVE 0.0871 0.05555555555555555 drospirenone Speculative: Review tamoxifen off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pralatrexate creutzfeldt-jakob_disease SPECULATIVE 0.0871 0.038461538461538464 pseudoephedrine Speculative: Review pralatrexate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. bevantolol hepatitis_b SPECULATIVE 0.0871 0.037037037037037035 trandolapril Speculative: Review bevantolol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vidarabine chronic_kidney_failure SPECULATIVE 0.0871 0.03125 salsalate Speculative: Review vidarabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. amoxapine hepatitis_b SPECULATIVE 0.0871 0.0 mitiglinide Speculative: Review amoxapine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorthalidone lymphatic_system_cancer SPECULATIVE 0.0871 0.0 vinblastine Speculative: Review chlorthalidone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clobazam acquired_immunodeficiency_syndrome SPECULATIVE 0.0871 0.0 mitiglinide Speculative: Review clobazam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. diethylpropion lymphatic_system_cancer SPECULATIVE 0.0871 0.0 vinblastine Speculative: Review diethylpropion off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. emtricitabine asthma SPECULATIVE 0.0871 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs asthma mechanism. Phenotypic screen recommended. emtricitabine atopic_dermatitis SPECULATIVE 0.0871 0.0 cinolazepam Speculative: Review emtricitabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. emtricitabine conduct_disorder SPECULATIVE 0.0871 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. emtricitabine schizophrenia SPECULATIVE 0.0871 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. enalapril focal_segmental_glomerulosclerosis SPECULATIVE 0.0871 0.0 methdilazine Speculative: Review enalapril off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ethynodiol acquired_immunodeficiency_syndrome SPECULATIVE 0.0871 0.0 mitiglinide Speculative: Review ethynodiol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide asthma SPECULATIVE 0.0871 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs asthma mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide atopic_dermatitis SPECULATIVE 0.0871 0.0 cinolazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide conduct_disorder SPECULATIVE 0.0871 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide hypertension SPECULATIVE 0.0871 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs hypertension mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide schizophrenia SPECULATIVE 0.0871 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. fulvestrant acquired_immunodeficiency_syndrome SPECULATIVE 0.0871 0.0 mitiglinide Speculative: Review fulvestrant off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. glucosamine focal_segmental_glomerulosclerosis SPECULATIVE 0.0871 0.0 methdilazine Speculative: Review glucosamine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. l-phenylalanine lymphatic_system_cancer SPECULATIVE 0.0871 0.0 vinblastine Speculative: Review l-phenylalanine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mestranol acquired_immunodeficiency_syndrome SPECULATIVE 0.0871 0.0 mitiglinide Speculative: Review mestranol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. nelarabine narcolepsy SPECULATIVE 0.0871 0.0 phenylbutazone Speculative: Review nelarabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. phenformin lymphatic_system_cancer SPECULATIVE 0.0871 0.0 vinblastine Speculative: Review phenformin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. telbivudine atherosclerosis SPECULATIVE 0.0871 0.0 fenoprofen Speculative: Review telbivudine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. tenofovir narcolepsy SPECULATIVE 0.0871 0.0 phenylbutazone Speculative: Review tenofovir off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. zidovudine focal_segmental_glomerulosclerosis SPECULATIVE 0.0871 0.0 methdilazine Speculative: Review zidovudine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. fenoprofen vaginal_cancer GAP_HIGH 0.087 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in vaginal_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) fenoprofen vulva_cancer GAP_HIGH 0.087 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in vulva_cancer cell model. Expected: similar to melphalan (Jaccard=0.26) toremifene type_1_diabetes_mellitus GAP_HIGH 0.087 0.16666666666666666 cyclopentolate High-priority: Binding assay toremifene→?; validate in type_1_diabetes_mellitus cell model. Expected: similar to cyclopentolate (Jaccard=0.17) warfarin membranous_glomerulonephritis GAP_HIGH 0.087 0.15789473684210525 fenoprofen High-priority: Binding assay warfarin→?; validate in membranous_glomerulonephritis cell model. Expected: similar to fenoprofen (Jaccard=0.16) desipramine alopecia_areata SPECULATIVE 0.087 0.09090909090909091 dexamethasone Speculative: Review desipramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ketoprofen liver_cancer SPECULATIVE 0.087 0.09090909090909091 vindesine Speculative: Review ketoprofen off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. vinblastine membranous_glomerulonephritis SPECULATIVE 0.087 0.09090909090909091 promethazine Speculative: Review vinblastine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. voacamine chronic_kidney_failure SPECULATIVE 0.087 0.08695652173913043 trimipramine Speculative: Review voacamine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. metoclopramide celiac_disease SPECULATIVE 0.087 0.08064516129032258 sulfanilamide Speculative: Review metoclopramide off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. afatinib amyotrophic_lateral_sclerosis SPECULATIVE 0.087 0.07692307692307693 rasagiline Speculative: Review afatinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. procarbazine alopecia_areata SPECULATIVE 0.087 0.0625 estradiol_valeratedienogest Speculative: Review procarbazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. voacamine atherosclerosis SPECULATIVE 0.087 0.05263157894736842 tiaprofenic_acid Speculative: Review voacamine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. l-phenylalanine meningioma SPECULATIVE 0.087 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs meningioma mechanism. Phenotypic screen recommended. cyproheptadine prostate_cancer SPECULATIVE 0.087 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. vidarabine crohns_disease SPECULATIVE 0.087 0.045454545454545456 tioguanine Speculative: Review vidarabine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. s-adenosylmethionine crohns_disease SPECULATIVE 0.087 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. diazepam esophageal_cancer SPECULATIVE 0.087 0.043478260869565216 toremifene Speculative: Review diazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. afatinib refractive_error SPECULATIVE 0.087 0.04 masoprocol Speculative: Review afatinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. floxuridine celiac_disease SPECULATIVE 0.087 0.037037037037037035 sorafenib Speculative: Review floxuridine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. clocortolone gestational_diabetes SPECULATIVE 0.087 0.03333333333333333 bezafibrate Speculative: Review clocortolone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. difluprednate gestational_diabetes SPECULATIVE 0.087 0.03333333333333333 bezafibrate Speculative: Review difluprednate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. aciclovir germ_cell_cancer SPECULATIVE 0.087 0.0 hydrocortisone Speculative: Review aciclovir off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. adinazolam germ_cell_cancer SPECULATIVE 0.087 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cytarabine ankylosing_spondylitis SPECULATIVE 0.087 0.0 flurazepam Speculative: Review cytarabine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. emtricitabine allergic_rhinitis SPECULATIVE 0.087 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. emtricitabine bipolar_disorder SPECULATIVE 0.087 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide allergic_rhinitis SPECULATIVE 0.087 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide bipolar_disorder SPECULATIVE 0.087 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. flurazepam germ_cell_cancer SPECULATIVE 0.087 0.0 hydrocortisone Speculative: Review flurazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. glucosamine gilles_de_la_tourette_syndrome SPECULATIVE 0.087 0.0 loxapine Speculative: Review glucosamine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. paricalcitol germ_cell_cancer SPECULATIVE 0.087 0.0 hydrocortisone Speculative: Review paricalcitol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. zidovudine gilles_de_la_tourette_syndrome SPECULATIVE 0.087 0.0 loxapine Speculative: Review zidovudine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. trimipramine idiopathic_pulmonary_fibrosis GAP_HIGH 0.0869 0.19230769230769232 propafenone High-priority: Binding assay trimipramine→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to propafenone (Jaccard=0.19) betamethasone panic_disorder GAP_HIGH 0.0869 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) lacosamide lung_cancer SPECULATIVE 0.0869 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. lacosamide rectum_cancer SPECULATIVE 0.0869 0.13333333333333333 cyclopentolate Speculative: Review lacosamide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. erlotinib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0869 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. voacamine ankylosing_spondylitis SPECULATIVE 0.0869 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. mefenamic_acid meningioma SPECULATIVE 0.0869 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs meningioma mechanism. Phenotypic screen recommended. melphalan nephrolithiasis SPECULATIVE 0.0869 0.09090909090909091 vincristine Speculative: Review melphalan off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mestranol autistic_disorder SPECULATIVE 0.0869 0.09090909090909091 l-dopa Speculative: Review mestranol off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. acetylsalicylic_acid glaucoma SPECULATIVE 0.0869 0.08823529411764706 pseudoephedrine Speculative: Review acetylsalicylic_acid off-target effects vs glaucoma mechanism. Phenotypic screen recommended. s-adenosylmethionine type_2_diabetes_mellitus SPECULATIVE 0.0869 0.07692307692307693 gemcitabine Speculative: Review s-adenosylmethionine off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. metoclopramide gilles_de_la_tourette_syndrome SPECULATIVE 0.0869 0.06666666666666667 meclizine Speculative: Review metoclopramide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. acetylsalicylic_acid hepatitis_b SPECULATIVE 0.0869 0.06521739130434782 adenosine_triphosphate Speculative: Review acetylsalicylic_acid off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. adenosine_triphosphate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0869 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. afatinib coronary_artery_disease SPECULATIVE 0.0869 0.0625 moexipril Speculative: Review afatinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. clofarabine atopic_dermatitis SPECULATIVE 0.0869 0.041666666666666664 dyphylline Speculative: Review clofarabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. emtricitabine endogenous_depression SPECULATIVE 0.0869 0.0 flurazepam Speculative: Review emtricitabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide endogenous_depression SPECULATIVE 0.0869 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. pimozide type_1_diabetes_mellitus SPECULATIVE 0.0869 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. zidovudine type_1_diabetes_mellitus SPECULATIVE 0.0869 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. betamethasone conduct_disorder GAP_HIGH 0.0868 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) trifluoperazine pharynx_cancer GAP_HIGH 0.0868 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in pharynx_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) propericiazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0868 0.16666666666666666 tioguanine High-priority: Binding assay propericiazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tioguanine (Jaccard=0.17) phensuximide peripheral_nervous_system_neoplasm SPECULATIVE 0.0868 0.12244897959183673 phenylbutazone Speculative: Review phensuximide off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. mazindol penile_cancer SPECULATIVE 0.0868 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salsalate gilles_de_la_tourette_syndrome SPECULATIVE 0.0868 0.11764705882352941 alvimopan Speculative: Review salsalate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. midazolam vascular_cancer SPECULATIVE 0.0868 0.10526315789473684 phenylbutazone Speculative: Review midazolam off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. oxaprozin glaucoma SPECULATIVE 0.0868 0.10344827586206896 pseudoephedrine Speculative: Review oxaprozin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. lacosamide chronic_kidney_failure SPECULATIVE 0.0868 0.1 tiaprofenic_acid Speculative: Review lacosamide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. diazepam primary_biliary_cirrhosis SPECULATIVE 0.0868 0.08333333333333333 atropine Speculative: Review diazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. megestrol_acetate focal_segmental_glomerulosclerosis SPECULATIVE 0.0868 0.08333333333333333 calcitriol Speculative: Review megestrol_acetate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sulfapyridine membranous_glomerulonephritis SPECULATIVE 0.0868 0.06896551724137931 mefenamic_acid Speculative: Review sulfapyridine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. nitrazepam primary_biliary_cirrhosis SPECULATIVE 0.0868 0.06666666666666667 sulfaphenazole Speculative: Review nitrazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. sulfaphenazole meningioma SPECULATIVE 0.0868 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs meningioma mechanism. Phenotypic screen recommended. adenosine_triphosphate idiopathic_pulmonary_fibrosis SPECULATIVE 0.0868 0.045454545454545456 propafenone Speculative: Review adenosine_triphosphate off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. adenosine_monophosphate refractive_error SPECULATIVE 0.0868 0.029850746268656716 l-carnitine Speculative: Review adenosine_monophosphate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. alendronate gestational_diabetes SPECULATIVE 0.0868 0.0 tolazamide Speculative: Review alendronate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. bezafibrate bone_cancer SPECULATIVE 0.0868 0.0 ibandronate Speculative: Review bezafibrate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cytarabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0868 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. cytarabine epilepsy_syndrome SPECULATIVE 0.0868 0.0 flurazepam Speculative: Review cytarabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. eplerenone bone_cancer SPECULATIVE 0.0868 0.0 ibandronate Speculative: Review eplerenone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. etidronic_acid gestational_diabetes SPECULATIVE 0.0868 0.0 tolazamide Speculative: Review etidronic_acid off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. lacosamide bone_cancer SPECULATIVE 0.0868 0.0 ibandronate Speculative: Review lacosamide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. liothyronine bone_cancer SPECULATIVE 0.0868 0.0 ibandronate Speculative: Review liothyronine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. liothyronine gestational_diabetes SPECULATIVE 0.0868 0.0 tolazamide Speculative: Review liothyronine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pamidronate gestational_diabetes SPECULATIVE 0.0868 0.0 tolazamide Speculative: Review pamidronate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. betamethasone bipolar_disorder GAP_HIGH 0.0867 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.19) megestrol_acetate epilepsy_syndrome SPECULATIVE 0.0867 0.125 bifonazole Speculative: Review megestrol_acetate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. nateglinide brain_cancer SPECULATIVE 0.0867 0.125 alendronate Speculative: Review nateglinide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. nateglinide intracranial_aneurysm SPECULATIVE 0.0867 0.125 alendronate Speculative: Review nateglinide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. carbinoxamine brain_cancer SPECULATIVE 0.0867 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. carbinoxamine intracranial_aneurysm SPECULATIVE 0.0867 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. voacamine epilepsy_syndrome SPECULATIVE 0.0867 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. doxorubicin ankylosing_spondylitis SPECULATIVE 0.0867 0.10714285714285714 pseudoephedrine Speculative: Review doxorubicin off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. fludiazepam pharynx_cancer SPECULATIVE 0.0867 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. amcinonide atherosclerosis SPECULATIVE 0.0867 0.1 floctafenine Speculative: Review amcinonide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. chlordiazepoxide head_and_neck_cancer SPECULATIVE 0.0867 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide malignant_glioma SPECULATIVE 0.0867 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. mestranol attention_deficit_hyperactivity_disorder SPECULATIVE 0.0867 0.09090909090909091 l-dopa Speculative: Review mestranol off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. cinnarizine membranous_glomerulonephritis SPECULATIVE 0.0867 0.07692307692307693 alimemazine Speculative: Review cinnarizine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. mazindol larynx_cancer SPECULATIVE 0.0867 0.07692307692307693 alendronate Speculative: Review mazindol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. teniposide gout SPECULATIVE 0.0867 0.07692307692307693 doxepin Speculative: Review teniposide off-target effects vs gout mechanism. Phenotypic screen recommended. cyclizine larynx_cancer SPECULATIVE 0.0867 0.07142857142857142 alendronate Speculative: Review cyclizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. masoprocol larynx_cancer SPECULATIVE 0.0867 0.0625 clodronate Speculative: Review masoprocol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol larynx_cancer SPECULATIVE 0.0867 0.058823529411764705 methimazole Speculative: Review ethinyl_estradiol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. procaine refractive_error SPECULATIVE 0.0867 0.05555555555555555 decamethonium Speculative: Review procaine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. estradiol lymphatic_system_cancer SPECULATIVE 0.0867 0.043478260869565216 lamivudine Speculative: Review estradiol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate azoospermia SPECULATIVE 0.0867 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. azatadine lymphatic_system_cancer SPECULATIVE 0.0867 0.03508771929824561 s-adenosylmethionine Speculative: Review azatadine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vidarabine azoospermia SPECULATIVE 0.0867 0.034482758620689655 phenylpropanolamine Speculative: Review vidarabine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. naftifine gestational_diabetes SPECULATIVE 0.0867 0.02564102564102564 bezafibrate Speculative: Review naftifine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. bromodiphenhydramine acquired_immunodeficiency_syndrome SPECULATIVE 0.0867 0.015873015873015872 adenosine_monophosphate Speculative: Review bromodiphenhydramine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. erlotinib acquired_immunodeficiency_syndrome SPECULATIVE 0.0867 0.014925373134328358 adenosine_monophosphate Speculative: Review erlotinib off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenine dilated_cardiomyopathy SPECULATIVE 0.0867 0.0 hydrocortisone Speculative: Review adenine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. chlordiazepoxide dilated_cardiomyopathy SPECULATIVE 0.0867 0.0 hydrocortisone Speculative: Review chlordiazepoxide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide migraine SPECULATIVE 0.0867 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs migraine mechanism. Phenotypic screen recommended. tioguanine dilated_cardiomyopathy SPECULATIVE 0.0867 0.0 hydrocortisone Speculative: Review tioguanine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fenoprofen uterine_fibroid GAP_HIGH 0.0866 0.2571428571428571 melphalan High-priority: Binding assay fenoprofen→?; validate in uterine_fibroid cell model. Expected: similar to melphalan (Jaccard=0.26) betamethasone endogenous_depression GAP_HIGH 0.0866 0.19047619047619047 levorphanol High-priority: Binding assay betamethasone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.19) erlotinib asthma SPECULATIVE 0.0866 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs asthma mechanism. Phenotypic screen recommended. erlotinib panic_disorder SPECULATIVE 0.0866 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. clonidine urinary_bladder_cancer SPECULATIVE 0.0866 0.11764705882352941 diphemanil_methylsulfate Speculative: Review clonidine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. l-histidine psoriasis SPECULATIVE 0.0866 0.1111111111111111 isoprenaline Speculative: Review l-histidine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. erlotinib refractive_error SPECULATIVE 0.0866 0.08333333333333333 dinoprost_tromethamine Speculative: Review erlotinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. levorphanol larynx_cancer SPECULATIVE 0.0866 0.07692307692307693 pantoprazole Speculative: Review levorphanol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate asthma SPECULATIVE 0.0866 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs asthma mechanism. Phenotypic screen recommended. adenosine_triphosphate panic_disorder SPECULATIVE 0.0866 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. adenosine_triphosphate schizophrenia SPECULATIVE 0.0866 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. masoprocol malaria SPECULATIVE 0.0866 0.047619047619047616 sulfamethizole Speculative: Review masoprocol off-target effects vs malaria mechanism. Phenotypic screen recommended. testosterone_propionate gestational_diabetes SPECULATIVE 0.0866 0.027777777777777776 bezafibrate Speculative: Review testosterone_propionate off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alprazolam head_and_neck_cancer SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alprazolam malignant_glioma SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. diclofenamide head_and_neck_cancer SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diclofenamide malignant_glioma SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dipivefrin head_and_neck_cancer SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dipivefrin malignant_glioma SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. droperidol head_and_neck_cancer SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review droperidol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. droperidol malignant_glioma SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review droperidol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fluspirilene head_and_neck_cancer SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review fluspirilene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fluspirilene malignant_glioma SPECULATIVE 0.0866 0.0 hydrocortisone Speculative: Review fluspirilene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. diphenylpyraline glaucoma GAP_HIGH 0.0865 0.16216216216216217 bevantolol High-priority: Binding assay diphenylpyraline→?; validate in glaucoma cell model. Expected: similar to bevantolol (Jaccard=0.16) vandetanib restless_legs_syndrome GAP_HIGH 0.0865 0.1595744680851064 metoclopramide High-priority: Binding assay vandetanib→?; validate in restless_legs_syndrome cell model. Expected: similar to metoclopramide (Jaccard=0.16) methotrimeprazine celiac_disease SPECULATIVE 0.0865 0.12903225806451613 diphenhydramine Speculative: Review methotrimeprazine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. clocortolone chronic_kidney_failure SPECULATIVE 0.0865 0.125 floctafenine Speculative: Review clocortolone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. difluprednate chronic_kidney_failure SPECULATIVE 0.0865 0.125 floctafenine Speculative: Review difluprednate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. erlotinib conduct_disorder SPECULATIVE 0.0865 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. erlotinib hypertension SPECULATIVE 0.0865 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs hypertension mechanism. Phenotypic screen recommended. l-dopa membranous_glomerulonephritis SPECULATIVE 0.0865 0.125 mitiglinide Speculative: Review l-dopa off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. fluocinonide focal_segmental_glomerulosclerosis SPECULATIVE 0.0865 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. lamivudine gout SPECULATIVE 0.0865 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs gout mechanism. Phenotypic screen recommended. chlordiazepoxide nephrolithiasis SPECULATIVE 0.0865 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. carbinoxamine larynx_cancer SPECULATIVE 0.0865 0.09090909090909091 podofilox Speculative: Review carbinoxamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine type_1_diabetes_mellitus SPECULATIVE 0.0865 0.09090909090909091 cyclandelate Speculative: Review phenylpropanolamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. raloxifene kidney_cancer SPECULATIVE 0.0865 0.09090909090909091 spironolactone Speculative: Review raloxifene off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate conduct_disorder SPECULATIVE 0.0865 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. adenosine_triphosphate hypertension SPECULATIVE 0.0865 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs hypertension mechanism. Phenotypic screen recommended. teniposide celiac_disease SPECULATIVE 0.0865 0.058823529411764705 exemestane Speculative: Review teniposide off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-tryptophan focal_segmental_glomerulosclerosis SPECULATIVE 0.0865 0.05555555555555555 fenoprofen Speculative: Review l-tryptophan off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sulfadiazine germ_cell_cancer SPECULATIVE 0.0865 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cyproheptadine narcolepsy SPECULATIVE 0.0865 0.045454545454545456 bevantolol Speculative: Review cyproheptadine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. pemetrexed creutzfeldt-jakob_disease SPECULATIVE 0.0865 0.045454545454545456 pseudoephedrine Speculative: Review pemetrexed off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. clofarabine migraine SPECULATIVE 0.0865 0.041666666666666664 dyphylline Speculative: Review clofarabine off-target effects vs migraine mechanism. Phenotypic screen recommended. s-adenosylmethionine azoospermia SPECULATIVE 0.0865 0.02857142857142857 meclizine Speculative: Review s-adenosylmethionine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. fulvestrant malaria SPECULATIVE 0.0865 0.021739130434782608 phensuximide Speculative: Review fulvestrant off-target effects vs malaria mechanism. Phenotypic screen recommended. propranolol alcohol_dependence SPECULATIVE 0.0865 0.02127659574468085 mazindol Speculative: Review propranolol off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. acenocoumarol larynx_cancer SPECULATIVE 0.0865 0.0 vinblastine Speculative: Review acenocoumarol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. afatinib malaria SPECULATIVE 0.0865 0.0 ethotoin Speculative: Review afatinib off-target effects vs malaria mechanism. Phenotypic screen recommended. diclofenamide kidney_cancer SPECULATIVE 0.0865 0.0 oxybuprocaine Speculative: Review diclofenamide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. orciprenaline malaria SPECULATIVE 0.0865 0.0 ethotoin Speculative: Review orciprenaline off-target effects vs malaria mechanism. Phenotypic screen recommended. pemetrexed malaria SPECULATIVE 0.0865 0.0 ethotoin Speculative: Review pemetrexed off-target effects vs malaria mechanism. Phenotypic screen recommended. telbivudine malaria SPECULATIVE 0.0865 0.0 ethotoin Speculative: Review telbivudine off-target effects vs malaria mechanism. Phenotypic screen recommended. terbutaline malaria SPECULATIVE 0.0865 0.0 ethotoin Speculative: Review terbutaline off-target effects vs malaria mechanism. Phenotypic screen recommended. zidovudine glaucoma SPECULATIVE 0.0865 0.0 pirbuterol Speculative: Review zidovudine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fenoprofen peripheral_nervous_system_neoplasm GAP_HIGH 0.0864 0.24242424242424243 atenolol High-priority: Binding assay fenoprofen→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to atenolol (Jaccard=0.24) modafinil kidney_cancer GAP_HIGH 0.0864 0.17142857142857143 oxybuprocaine High-priority: Binding assay modafinil→?; validate in kidney_cancer cell model. Expected: similar to oxybuprocaine (Jaccard=0.17) loperamide kidney_cancer GAP_HIGH 0.0864 0.16 levorphanol High-priority: Binding assay loperamide→?; validate in kidney_cancer cell model. Expected: similar to levorphanol (Jaccard=0.16) pseudoephedrine prostate_cancer GAP_HIGH 0.0864 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in prostate_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) methadone atherosclerosis SPECULATIVE 0.0864 0.13793103448275862 warfarin Speculative: Review methadone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. bromfenac malignant_mesothelioma SPECULATIVE 0.0864 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. estradiol panic_disorder SPECULATIVE 0.0864 0.13333333333333333 dienestrol Speculative: Review estradiol off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. estradiol schizophrenia SPECULATIVE 0.0864 0.13333333333333333 dienestrol Speculative: Review estradiol off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. erlotinib allergic_rhinitis SPECULATIVE 0.0864 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. erlotinib bipolar_disorder SPECULATIVE 0.0864 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. bezafibrate focal_segmental_glomerulosclerosis SPECULATIVE 0.0864 0.10344827586206896 mefenamic_acid Speculative: Review bezafibrate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. atomoxetine larynx_cancer SPECULATIVE 0.0864 0.08333333333333333 epirubicin Speculative: Review atomoxetine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. estradiol focal_segmental_glomerulosclerosis SPECULATIVE 0.0864 0.07692307692307693 bumetanide Speculative: Review estradiol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. l-dopa lymphatic_system_cancer SPECULATIVE 0.0864 0.07692307692307693 streptozocin Speculative: Review l-dopa off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vandetanib esophageal_cancer SPECULATIVE 0.0864 0.07692307692307693 docetaxel Speculative: Review vandetanib off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. eplerenone gilles_de_la_tourette_syndrome SPECULATIVE 0.0864 0.07142857142857142 carbinoxamine Speculative: Review eplerenone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate allergic_rhinitis SPECULATIVE 0.0864 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. adenosine_triphosphate bipolar_disorder SPECULATIVE 0.0864 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. suprofen nephrolithiasis SPECULATIVE 0.0864 0.0625 cabazitaxel Speculative: Review suprofen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mefenamic_acid larynx_cancer SPECULATIVE 0.0864 0.058823529411764705 procarbazine Speculative: Review mefenamic_acid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. vandetanib hepatitis_b SPECULATIVE 0.0864 0.05714285714285714 glucosamine Speculative: Review vandetanib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. floxuridine coronary_artery_disease SPECULATIVE 0.0864 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. fluoxymesterone alcohol_dependence SPECULATIVE 0.0864 0.047619047619047616 naloxone Speculative: Review fluoxymesterone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. fentanyl gestational_diabetes SPECULATIVE 0.0864 0.04 glimepiride Speculative: Review fentanyl off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. drospirenone gestational_diabetes SPECULATIVE 0.0864 0.03125 bezafibrate Speculative: Review drospirenone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. aceprometazine bone_cancer SPECULATIVE 0.0864 0.0 ibandronate Speculative: Review aceprometazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. aceprometazine gestational_diabetes SPECULATIVE 0.0864 0.0 tolazamide Speculative: Review aceprometazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alprazolam nephrolithiasis SPECULATIVE 0.0864 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. azelastine acquired_immunodeficiency_syndrome SPECULATIVE 0.0864 0.0 mitiglinide Speculative: Review azelastine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. brompheniramine bone_cancer SPECULATIVE 0.0864 0.0 ibandronate Speculative: Review brompheniramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. brompheniramine gestational_diabetes SPECULATIVE 0.0864 0.0 tolazamide Speculative: Review brompheniramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. droperidol refractive_error SPECULATIVE 0.0864 0.0 pirbuterol Speculative: Review droperidol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide metabolic_syndrome_x SPECULATIVE 0.0864 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. fludiazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0864 0.0 mitiglinide Speculative: Review fludiazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fluspirilene refractive_error SPECULATIVE 0.0864 0.0 pirbuterol Speculative: Review fluspirilene off-target effects vs refractive_error mechanism. Phenotypic screen recommended. nandrolone_phenpropionate refractive_error SPECULATIVE 0.0864 0.0 pirbuterol Speculative: Review nandrolone_phenpropionate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. voacamine bone_cancer SPECULATIVE 0.0864 0.0 ibandronate Speculative: Review voacamine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. voacamine gestational_diabetes SPECULATIVE 0.0864 0.0 tolazamide Speculative: Review voacamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. fenoprofen meningioma GAP_HIGH 0.0863 0.21212121212121213 procarbazine High-priority: Binding assay fenoprofen→?; validate in meningioma cell model. Expected: similar to procarbazine (Jaccard=0.21) estrone panic_disorder GAP_HIGH 0.0863 0.18181818181818182 dienestrol High-priority: Binding assay estrone→?; validate in panic_disorder cell model. Expected: similar to dienestrol (Jaccard=0.18) estrone schizophrenia GAP_HIGH 0.0863 0.18181818181818182 dienestrol High-priority: Binding assay estrone→?; validate in schizophrenia cell model. Expected: similar to dienestrol (Jaccard=0.18) modafinil nephrolithiasis GAP_HIGH 0.0863 0.17142857142857143 oxybuprocaine High-priority: Binding assay modafinil→?; validate in nephrolithiasis cell model. Expected: similar to oxybuprocaine (Jaccard=0.17) clomipramine penile_cancer GAP_HIGH 0.0863 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in penile_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) thioproperazine celiac_disease GAP_HIGH 0.0863 0.15625 chlorcyclizine High-priority: Binding assay thioproperazine→?; validate in celiac_disease cell model. Expected: similar to chlorcyclizine (Jaccard=0.16) vandetanib systemic_lupus_erythematosus GAP_HIGH 0.0863 0.1509433962264151 erlotinib High-priority: Binding assay vandetanib→?; validate in systemic_lupus_erythematosus cell model. Expected: similar to erlotinib (Jaccard=0.15) erlotinib endogenous_depression SPECULATIVE 0.0863 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. phentermine meningioma SPECULATIVE 0.0863 0.1 topotecan Speculative: Review phentermine off-target effects vs meningioma mechanism. Phenotypic screen recommended. sunitinib creutzfeldt-jakob_disease SPECULATIVE 0.0863 0.1 pseudoephedrine Speculative: Review sunitinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acetylsalicylic_acid head_and_neck_cancer SPECULATIVE 0.0863 0.09090909090909091 dexamethasone Speculative: Review acetylsalicylic_acid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clodronate pancreatitis SPECULATIVE 0.0863 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. raloxifene celiac_disease SPECULATIVE 0.0863 0.09090909090909091 spironolactone Speculative: Review raloxifene off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. spironolactone atherosclerosis SPECULATIVE 0.0863 0.08695652173913043 acetylsalicylic_acid Speculative: Review spironolactone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alimemazine lymphatic_system_cancer SPECULATIVE 0.0863 0.08333333333333333 vinblastine Speculative: Review alimemazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. levonordefrin chronic_kidney_failure SPECULATIVE 0.0863 0.07692307692307693 acetophenazine Speculative: Review levonordefrin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. adenosine_triphosphate endogenous_depression SPECULATIVE 0.0863 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. adenosine_triphosphate psoriasis SPECULATIVE 0.0863 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs psoriasis mechanism. Phenotypic screen recommended. adenosine_triphosphate creutzfeldt-jakob_disease SPECULATIVE 0.0863 0.05263157894736842 phenprocoumon Speculative: Review adenosine_triphosphate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. floxuridine narcolepsy SPECULATIVE 0.0863 0.05263157894736842 l-arginine Speculative: Review floxuridine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. lamivudine malaria SPECULATIVE 0.0863 0.05263157894736842 caffeine Speculative: Review lamivudine off-target effects vs malaria mechanism. Phenotypic screen recommended. naproxen nephrolithiasis SPECULATIVE 0.0863 0.047619047619047616 cabazitaxel Speculative: Review naproxen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. s-adenosylmethionine gout SPECULATIVE 0.0863 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs gout mechanism. Phenotypic screen recommended. cladribine azoospermia SPECULATIVE 0.0863 0.037037037037037035 procaine Speculative: Review cladribine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. floxuridine chronic_kidney_failure SPECULATIVE 0.0863 0.034482758620689655 acetylsalicylic_acid Speculative: Review floxuridine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. exemestane gestational_diabetes SPECULATIVE 0.0863 0.03225806451612903 bezafibrate Speculative: Review exemestane off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. medrysone gestational_diabetes SPECULATIVE 0.0863 0.03225806451612903 bezafibrate Speculative: Review medrysone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. alcaftadine atherosclerosis SPECULATIVE 0.0863 0.0 fenoprofen Speculative: Review alcaftadine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. anileridine lymphatic_system_cancer SPECULATIVE 0.0863 0.0 vinblastine Speculative: Review anileridine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide lymphatic_system_cancer SPECULATIVE 0.0863 0.0 vinblastine Speculative: Review anisotropine_methylbromide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. bepotastine lymphatic_system_cancer SPECULATIVE 0.0863 0.0 vinblastine Speculative: Review bepotastine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cladribine atherosclerosis SPECULATIVE 0.0863 0.0 fenoprofen Speculative: Review cladribine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. estazolam intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review estazolam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. flunarizine atherosclerosis SPECULATIVE 0.0863 0.0 fenoprofen Speculative: Review flunarizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. flunarizine lymphatic_system_cancer SPECULATIVE 0.0863 0.0 vinblastine Speculative: Review flunarizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. levomilnacipran brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. levomilnacipran intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. lidocaine alopecia_areata SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review lidocaine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. metaraminol brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review metaraminol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. metaraminol intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review metaraminol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. milnacipran brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. milnacipran intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. naproxen lymphatic_system_cancer SPECULATIVE 0.0863 0.0 vinblastine Speculative: Review naproxen off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pimozide brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pimozide intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pirbuterol brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pirbuterol intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. s-adenosylmethionine alopecia_areata SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review s-adenosylmethionine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. salbutamol brain_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review salbutamol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. salbutamol intracranial_aneurysm SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review salbutamol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tenofovir duodenum_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. tenofovir gallbladder_cancer SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. tenofovir melanoma SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs melanoma mechanism. Phenotypic screen recommended. vitamin_a idiopathic_pulmonary_fibrosis SPECULATIVE 0.0863 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pseudoephedrine mediastinal_cancer GAP_HIGH 0.0862 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in mediastinal_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) erlotinib multiple_sclerosis SPECULATIVE 0.0862 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. methotrexate panic_disorder SPECULATIVE 0.0862 0.125 pyrimethamine Speculative: Review methotrexate off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. methotrexate schizophrenia SPECULATIVE 0.0862 0.125 pyrimethamine Speculative: Review methotrexate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. acetylsalicylic_acid idiopathic_pulmonary_fibrosis SPECULATIVE 0.0862 0.11538461538461539 tiaprofenic_acid Speculative: Review acetylsalicylic_acid off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. lacosamide germ_cell_cancer SPECULATIVE 0.0862 0.10526315789473684 melphalan Speculative: Review lacosamide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. mefenamic_acid prostate_cancer SPECULATIVE 0.0862 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. cortisone_acetate refractive_error SPECULATIVE 0.0862 0.1 dinoprost_tromethamine Speculative: Review cortisone_acetate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pargyline germ_cell_cancer SPECULATIVE 0.0862 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. benzatropine brain_cancer SPECULATIVE 0.0862 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. benzatropine intracranial_aneurysm SPECULATIVE 0.0862 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. prednicarbate membranous_glomerulonephritis SPECULATIVE 0.0862 0.09090909090909091 calcitriol Speculative: Review prednicarbate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. docetaxel idiopathic_pulmonary_fibrosis SPECULATIVE 0.0862 0.08333333333333333 spironolactone Speculative: Review docetaxel off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. flurbiprofen type_1_diabetes_mellitus SPECULATIVE 0.0862 0.07692307692307693 methyldopa Speculative: Review flurbiprofen off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. phenprocoumon glaucoma SPECULATIVE 0.0862 0.07142857142857142 procarbazine Speculative: Review phenprocoumon off-target effects vs glaucoma mechanism. Phenotypic screen recommended. toremifene dilated_cardiomyopathy SPECULATIVE 0.0862 0.06896551724137931 progesterone Speculative: Review toremifene off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. bromodiphenhydramine glaucoma SPECULATIVE 0.0862 0.06666666666666667 alpha-linolenic_acid Speculative: Review bromodiphenhydramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. vindesine celiac_disease SPECULATIVE 0.0862 0.0625 clocortolone Speculative: Review vindesine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. l-phenylalanine mediastinal_cancer SPECULATIVE 0.0862 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. clofarabine restless_legs_syndrome SPECULATIVE 0.0862 0.045454545454545456 caffeine Speculative: Review clofarabine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. warfarin dilated_cardiomyopathy SPECULATIVE 0.0862 0.045454545454545456 drospirenone Speculative: Review warfarin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. adenosine_triphosphate coronary_artery_disease SPECULATIVE 0.0862 0.044444444444444446 ethopropazine Speculative: Review adenosine_triphosphate off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. adenosine_monophosphate chronic_kidney_failure SPECULATIVE 0.0862 0.028169014084507043 ethopropazine Speculative: Review adenosine_monophosphate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. cabazitaxel dilated_cardiomyopathy SPECULATIVE 0.0862 0.0 hydrocortisone Speculative: Review cabazitaxel off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clozapine dilated_cardiomyopathy SPECULATIVE 0.0862 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cytarabine alzheimers_disease SPECULATIVE 0.0862 0.0 flurazepam Speculative: Review cytarabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. gemcitabine alcohol_dependence SPECULATIVE 0.0862 0.0 midazolam Speculative: Review gemcitabine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. isoprenaline alcohol_dependence SPECULATIVE 0.0862 0.0 midazolam Speculative: Review isoprenaline off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. l-tryptophan alcohol_dependence SPECULATIVE 0.0862 0.0 midazolam Speculative: Review l-tryptophan off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. methotrexate dilated_cardiomyopathy SPECULATIVE 0.0862 0.0 hydrocortisone Speculative: Review methotrexate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. prochlorperazine dilated_cardiomyopathy SPECULATIVE 0.0862 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. temazepam dilated_cardiomyopathy SPECULATIVE 0.0862 0.0 hydrocortisone Speculative: Review temazepam off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. trifluoperazine salivary_gland_cancer GAP_HIGH 0.0861 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in salivary_gland_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) phenacemide liver_cancer GAP_HIGH 0.0861 0.16 mitiglinide High-priority: Binding assay phenacemide→?; validate in liver_cancer cell model. Expected: similar to mitiglinide (Jaccard=0.16) carbinoxamine peripheral_nervous_system_neoplasm GAP_HIGH 0.0861 0.15384615384615385 tamoxifen High-priority: Binding assay carbinoxamine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.15) thioproperazine refractive_error GAP_HIGH 0.0861 0.15384615384615385 metaraminol High-priority: Binding assay thioproperazine→?; validate in refractive_error cell model. Expected: similar to metaraminol (Jaccard=0.15) pseudoephedrine thymus_cancer GAP_HIGH 0.0861 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in thymus_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) thioproperazine type_1_diabetes_mellitus SPECULATIVE 0.0861 0.14285714285714285 tioguanine Speculative: Review thioproperazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. amitriptyline head_and_neck_cancer SPECULATIVE 0.0861 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. amitriptyline malignant_glioma SPECULATIVE 0.0861 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. voacamine alzheimers_disease SPECULATIVE 0.0861 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. voacamine parkinsons_disease SPECULATIVE 0.0861 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. trimipramine atherosclerosis SPECULATIVE 0.0861 0.10714285714285714 salsalate Speculative: Review trimipramine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. fludiazepam salivary_gland_cancer SPECULATIVE 0.0861 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. raloxifene penile_cancer SPECULATIVE 0.0861 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. megestrol_acetate chronic_kidney_failure SPECULATIVE 0.0861 0.09090909090909091 acetylsalicylic_acid Speculative: Review megestrol_acetate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. moricizine esophageal_cancer SPECULATIVE 0.0861 0.09090909090909091 topotecan Speculative: Review moricizine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. bezafibrate hepatitis_b SPECULATIVE 0.0861 0.08333333333333333 alvimopan Speculative: Review bezafibrate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. buclizine type_1_diabetes_mellitus SPECULATIVE 0.0861 0.07692307692307693 sulfapyridine Speculative: Review buclizine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. prednicarbate gilles_de_la_tourette_syndrome SPECULATIVE 0.0861 0.07692307692307693 carbinoxamine Speculative: Review prednicarbate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fludiazepam type_1_diabetes_mellitus SPECULATIVE 0.0861 0.058823529411764705 sulfapyridine Speculative: Review fludiazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. vindesine type_1_diabetes_mellitus SPECULATIVE 0.0861 0.05555555555555555 rimexolone Speculative: Review vindesine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. s-adenosylmethionine coronary_artery_disease SPECULATIVE 0.0861 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. procainamide lymphatic_system_cancer SPECULATIVE 0.0861 0.019417475728155338 s-adenosylmethionine Speculative: Review procainamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. anisindione hepatitis_b SPECULATIVE 0.0861 0.0 mitiglinide Speculative: Review anisindione off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. azacitidine chronic_kidney_failure SPECULATIVE 0.0861 0.0 cinolazepam Speculative: Review azacitidine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. ceruletide azoospermia SPECULATIVE 0.0861 0.0 phenylbutazone Speculative: Review ceruletide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. cytarabine amyotrophic_lateral_sclerosis SPECULATIVE 0.0861 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. cytarabine autistic_disorder SPECULATIVE 0.0861 0.0 flurazepam Speculative: Review cytarabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. cytarabine nicotine_dependence SPECULATIVE 0.0861 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. cytarabine parkinsons_disease SPECULATIVE 0.0861 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. dimetindene hepatitis_b SPECULATIVE 0.0861 0.0 mitiglinide Speculative: Review dimetindene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. orphenadrine hepatitis_b SPECULATIVE 0.0861 0.0 mitiglinide Speculative: Review orphenadrine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. regadenoson chronic_kidney_failure SPECULATIVE 0.0861 0.0 cinolazepam Speculative: Review regadenoson off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. trimipramine penile_cancer GAP_HIGH 0.086 0.17647058823529413 diphenylpyraline High-priority: Binding assay trimipramine→?; validate in penile_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) promazine brain_cancer SPECULATIVE 0.086 0.14814814814814814 levorphanol Speculative: Review promazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cortisone_acetate creutzfeldt-jakob_disease SPECULATIVE 0.086 0.125 dextromethorphan Speculative: Review cortisone_acetate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. mazindol meningioma SPECULATIVE 0.086 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs meningioma mechanism. Phenotypic screen recommended. phenylbutazone atherosclerosis SPECULATIVE 0.086 0.11627906976744186 fenoprofen Speculative: Review phenylbutazone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. amitriptyline kidney_cancer SPECULATIVE 0.086 0.1111111111111111 benzocaine Speculative: Review amitriptyline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. loteprednol epilepsy_syndrome SPECULATIVE 0.086 0.1111111111111111 cyclopentolate Speculative: Review loteprednol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. voacamine amyotrophic_lateral_sclerosis SPECULATIVE 0.086 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. voacamine autistic_disorder SPECULATIVE 0.086 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. voacamine nicotine_dependence SPECULATIVE 0.086 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. mefenamic_acid mediastinal_cancer SPECULATIVE 0.086 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. atomoxetine glaucoma SPECULATIVE 0.086 0.1 metaraminol Speculative: Review atomoxetine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clodronate rectum_cancer SPECULATIVE 0.086 0.09090909090909091 etoricoxib Speculative: Review clodronate off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. vismodegib creutzfeldt-jakob_disease SPECULATIVE 0.086 0.08695652173913043 salsalate Speculative: Review vismodegib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. sunitinib membranous_glomerulonephritis SPECULATIVE 0.086 0.07692307692307693 adefovir_dipivoxil Speculative: Review sunitinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. ethinyl_estradiol focal_segmental_glomerulosclerosis SPECULATIVE 0.086 0.06896551724137931 toremifene Speculative: Review ethinyl_estradiol off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sulfadiazine penile_cancer SPECULATIVE 0.086 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. l-phenylalanine thymus_cancer SPECULATIVE 0.086 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. trandolapril chronic_kidney_failure SPECULATIVE 0.086 0.047619047619047616 salsalate Speculative: Review trandolapril off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. azelastine larynx_cancer SPECULATIVE 0.086 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. dimetacrine gestational_diabetes SPECULATIVE 0.086 0.027777777777777776 bezafibrate Speculative: Review dimetacrine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. promazine gestational_diabetes SPECULATIVE 0.086 0.02564102564102564 bezafibrate Speculative: Review promazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. diphenhydramine gestational_diabetes SPECULATIVE 0.086 0.022222222222222223 bezafibrate Speculative: Review diphenhydramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. mepyramine nephrolithiasis SPECULATIVE 0.086 0.017857142857142856 vandetanib Speculative: Review mepyramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. bromfenac bone_cancer SPECULATIVE 0.086 0.0 ibandronate Speculative: Review bromfenac off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. clofarabine focal_segmental_glomerulosclerosis SPECULATIVE 0.086 0.0 methdilazine Speculative: Review clofarabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide obesity SPECULATIVE 0.086 0.0 hydrocortisone Speculative: Review flavin_adenine_dinucleotide off-target effects vs obesity mechanism. Phenotypic screen recommended. nelarabine creutzfeldt-jakob_disease SPECULATIVE 0.086 0.0 loxapine Speculative: Review nelarabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. ribavirin focal_segmental_glomerulosclerosis SPECULATIVE 0.086 0.0 methdilazine Speculative: Review ribavirin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. tenofovir creutzfeldt-jakob_disease SPECULATIVE 0.086 0.0 loxapine Speculative: Review tenofovir off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. triflupromazine bone_cancer SPECULATIVE 0.086 0.0 ibandronate Speculative: Review triflupromazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. triflupromazine gestational_diabetes SPECULATIVE 0.086 0.0 tolazamide Speculative: Review triflupromazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. trifluoperazine ocular_cancer GAP_HIGH 0.0859 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in ocular_cancer cell model. Expected: similar to alendronate (Jaccard=0.18) lacosamide thyroid_cancer SPECULATIVE 0.0859 0.125 liothyronine Speculative: Review lacosamide off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. nateglinide head_and_neck_cancer SPECULATIVE 0.0859 0.125 alendronate Speculative: Review nateglinide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. nateglinide malignant_glioma SPECULATIVE 0.0859 0.125 alendronate Speculative: Review nateglinide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. zuclopenthixol brain_cancer SPECULATIVE 0.0859 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. zuclopenthixol intracranial_aneurysm SPECULATIVE 0.0859 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. amitriptyline nephrolithiasis SPECULATIVE 0.0859 0.1111111111111111 benzocaine Speculative: Review amitriptyline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. amitriptyline refractive_error SPECULATIVE 0.0859 0.1111111111111111 metaraminol Speculative: Review amitriptyline off-target effects vs refractive_error mechanism. Phenotypic screen recommended. carbinoxamine malignant_glioma SPECULATIVE 0.0859 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. nortriptyline pharynx_cancer SPECULATIVE 0.0859 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. pseudoephedrine esophageal_cancer SPECULATIVE 0.0859 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. mefenamic_acid thymus_cancer SPECULATIVE 0.0859 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. pargyline gout SPECULATIVE 0.0859 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs gout mechanism. Phenotypic screen recommended. metoclopramide gout SPECULATIVE 0.0859 0.10144927536231885 procaine Speculative: Review metoclopramide off-target effects vs gout mechanism. Phenotypic screen recommended. clodronate parkinsons_disease SPECULATIVE 0.0859 0.09090909090909091 arbutamine Speculative: Review clodronate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. promethazine lymphatic_system_cancer SPECULATIVE 0.0859 0.09090909090909091 vinblastine Speculative: Review promethazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. voacamine azoospermia SPECULATIVE 0.0859 0.08695652173913043 trimipramine Speculative: Review voacamine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. eplerenone membranous_glomerulonephritis SPECULATIVE 0.0859 0.08333333333333333 calcitriol Speculative: Review eplerenone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. melphalan brain_cancer SPECULATIVE 0.0859 0.08333333333333333 histamine_phosphate Speculative: Review melphalan off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-tyrosine acquired_immunodeficiency_syndrome SPECULATIVE 0.0859 0.0625 lisinopril Speculative: Review l-tyrosine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. moricizine atherosclerosis SPECULATIVE 0.0859 0.0625 phentermine Speculative: Review moricizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pargyline larynx_cancer SPECULATIVE 0.0859 0.0625 epirubicin Speculative: Review pargyline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sulfaphenazole mediastinal_cancer SPECULATIVE 0.0859 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. trandolapril focal_segmental_glomerulosclerosis SPECULATIVE 0.0859 0.037037037037037035 bevantolol Speculative: Review trandolapril off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. meclizine dilated_cardiomyopathy SPECULATIVE 0.0859 0.03125 medrysone Speculative: Review meclizine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. ethynodiol hepatitis_b SPECULATIVE 0.0859 0.02564102564102564 adenosine_triphosphate Speculative: Review ethynodiol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. ceruletide membranous_glomerulonephritis SPECULATIVE 0.0859 0.0 methdilazine Speculative: Review ceruletide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. chlorphenesin membranous_glomerulonephritis SPECULATIVE 0.0859 0.0 methdilazine Speculative: Review chlorphenesin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. clofarabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0859 0.0 loxapine Speculative: Review clofarabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ribavirin gilles_de_la_tourette_syndrome SPECULATIVE 0.0859 0.0 loxapine Speculative: Review ribavirin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. exemestane refractive_error SPECULATIVE 0.0858 0.125 carboprost_tromethamine Speculative: Review exemestane off-target effects vs refractive_error mechanism. Phenotypic screen recommended. olsalazine penile_cancer SPECULATIVE 0.0858 0.125 pralatrexate Speculative: Review olsalazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. carbinoxamine kidney_cancer SPECULATIVE 0.0858 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. voacamine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0858 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. fludiazepam ocular_cancer SPECULATIVE 0.0858 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. acetophenazine germ_cell_cancer SPECULATIVE 0.0858 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. dydrogesterone gilles_de_la_tourette_syndrome SPECULATIVE 0.0858 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sorafenib type_1_diabetes_mellitus SPECULATIVE 0.0858 0.08 gliclazide Speculative: Review sorafenib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. afatinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0858 0.06666666666666667 medroxyprogesterone_acetate Speculative: Review afatinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. voacamine alopecia_areata SPECULATIVE 0.0858 0.06666666666666667 fluticasone_propionate Speculative: Review voacamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine_triphosphate metabolic_syndrome_x SPECULATIVE 0.0858 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. sulfaphenazole thymus_cancer SPECULATIVE 0.0858 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. benzphetamine hepatitis_b SPECULATIVE 0.0858 0.047619047619047616 nateglinide Speculative: Review benzphetamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. progesterone alcohol_dependence SPECULATIVE 0.0858 0.045454545454545456 naloxone Speculative: Review progesterone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. etidronic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0858 0.041666666666666664 meclizine Speculative: Review etidronic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. cytarabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0858 0.0 flurazepam Speculative: Review cytarabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. nortriptyline acquired_immunodeficiency_syndrome SPECULATIVE 0.0858 0.0 mitiglinide Speculative: Review nortriptyline off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. mesalazine creutzfeldt-jakob_disease GAP_HIGH 0.0857 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in creutzfeldt-jakob_disease cell model. Expected: similar to l-dopa (Jaccard=0.19) progesterone azoospermia GAP_HIGH 0.0857 0.15789473684210525 dienestrol High-priority: Binding assay progesterone→?; validate in azoospermia cell model. Expected: similar to dienestrol (Jaccard=0.16) carbinoxamine nephrolithiasis SPECULATIVE 0.0857 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. pazopanib amyotrophic_lateral_sclerosis SPECULATIVE 0.0857 0.10344827586206896 pseudoephedrine Speculative: Review pazopanib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. olsalazine focal_segmental_glomerulosclerosis SPECULATIVE 0.0857 0.1 mefenamic_acid Speculative: Review olsalazine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. erlotinib malignant_glioma SPECULATIVE 0.0857 0.07692307692307693 vinblastine Speculative: Review erlotinib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. sulfadiazine malignant_mesothelioma SPECULATIVE 0.0857 0.05263157894736842 pralatrexate Speculative: Review sulfadiazine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. entecavir coronary_artery_disease SPECULATIVE 0.0857 0.05 chloroprocaine Speculative: Review entecavir off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. gefitinib hepatitis_b SPECULATIVE 0.0857 0.05 s-adenosylmethionine Speculative: Review gefitinib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. rimexolone alcohol_dependence SPECULATIVE 0.0857 0.043478260869565216 levorphanol Speculative: Review rimexolone off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. alfacalcidol germ_cell_cancer SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. calcidiol germ_cell_cancer SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. calcipotriol germ_cell_cancer SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. dihydrotachysterol germ_cell_cancer SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review dihydrotachysterol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fosphenytoin dilated_cardiomyopathy SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenelzine dilated_cardiomyopathy SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review phenelzine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenindamine dilated_cardiomyopathy SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review phenindamine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phentermine dilated_cardiomyopathy SPECULATIVE 0.0857 0.0 hydrocortisone Speculative: Review phentermine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vindesine alcohol_dependence SPECULATIVE 0.0857 0.0 midazolam Speculative: Review vindesine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. vitamin_a narcolepsy SPECULATIVE 0.0857 0.0 phenylbutazone Speculative: Review vitamin_a off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. vandetanib systemic_scleroderma GAP_HIGH 0.0856 0.1509433962264151 erlotinib High-priority: Binding assay vandetanib→?; validate in systemic_scleroderma cell model. Expected: similar to erlotinib (Jaccard=0.15) olsalazine malignant_mesothelioma SPECULATIVE 0.0856 0.125 pralatrexate Speculative: Review olsalazine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. pargyline liver_cancer SPECULATIVE 0.0856 0.11764705882352941 mitiglinide Speculative: Review pargyline off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. diazepam pharynx_cancer SPECULATIVE 0.0856 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. methylprednisolone azoospermia SPECULATIVE 0.0856 0.07692307692307693 aprindine Speculative: Review methylprednisolone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. pargyline gilles_de_la_tourette_syndrome SPECULATIVE 0.0856 0.07407407407407407 trimipramine Speculative: Review pargyline off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. afatinib creutzfeldt-jakob_disease SPECULATIVE 0.0856 0.0625 moexipril Speculative: Review afatinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. procainamide atherosclerosis SPECULATIVE 0.0856 0.016129032258064516 phentermine Speculative: Review procainamide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. carbinoxamine gestational_diabetes SPECULATIVE 0.0856 0.0 tolazamide Speculative: Review carbinoxamine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. cladribine malaria SPECULATIVE 0.0856 0.0 ethotoin Speculative: Review cladribine off-target effects vs malaria mechanism. Phenotypic screen recommended. cytarabine panic_disorder SPECULATIVE 0.0856 0.0 flurazepam Speculative: Review cytarabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. cytarabine schizophrenia SPECULATIVE 0.0856 0.0 flurazepam Speculative: Review cytarabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. floxuridine malaria SPECULATIVE 0.0856 0.0 ethotoin Speculative: Review floxuridine off-target effects vs malaria mechanism. Phenotypic screen recommended. ketoprofen malaria SPECULATIVE 0.0856 0.0 ethotoin Speculative: Review ketoprofen off-target effects vs malaria mechanism. Phenotypic screen recommended. fenoprofen idiopathic_pulmonary_fibrosis GAP_HIGH 0.0855 0.21052631578947367 sotalol High-priority: Binding assay fenoprofen→?; validate in idiopathic_pulmonary_fibrosis cell model. Expected: similar to sotalol (Jaccard=0.21) trifluoperazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0855 0.18181818181818182 alendronate High-priority: Binding assay trifluoperazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to alendronate (Jaccard=0.18) clomipramine meningioma GAP_HIGH 0.0855 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in meningioma cell model. Expected: similar to phenylbutazone (Jaccard=0.16) drospirenone azoospermia GAP_HIGH 0.0855 0.15384615384615385 procaine High-priority: Binding assay drospirenone→?; validate in azoospermia cell model. Expected: similar to procaine (Jaccard=0.15) megestrol_acetate schizophrenia SPECULATIVE 0.0855 0.125 bifonazole Speculative: Review megestrol_acetate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. warfarin esophageal_cancer SPECULATIVE 0.0855 0.125 tamoxifen Speculative: Review warfarin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. prednicarbate schizophrenia SPECULATIVE 0.0855 0.1111111111111111 hydromorphone Speculative: Review prednicarbate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. voacamine asthma SPECULATIVE 0.0855 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs asthma mechanism. Phenotypic screen recommended. voacamine panic_disorder SPECULATIVE 0.0855 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. voacamine schizophrenia SPECULATIVE 0.0855 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. fludiazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0855 0.10526315789473684 alendronate Speculative: Review fludiazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. bromfenac alopecia_areata SPECULATIVE 0.0855 0.09523809523809523 flurandrenolide Speculative: Review bromfenac off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. nitrazepam pharynx_cancer SPECULATIVE 0.0855 0.06896551724137931 l-tyrosine Speculative: Review nitrazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. mesalazine dilated_cardiomyopathy SPECULATIVE 0.0855 0.05555555555555555 medrysone Speculative: Review mesalazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. nitrazepam penile_cancer SPECULATIVE 0.0855 0.05263157894736842 phenylbutazone Speculative: Review nitrazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0855 0.05084745762711865 zafirlukast Speculative: Review s-adenosylmethionine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. phensuximide hepatitis_b SPECULATIVE 0.0855 0.044444444444444446 mitiglinide Speculative: Review phensuximide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. bevantolol esophageal_cancer SPECULATIVE 0.0855 0.043478260869565216 raloxifene Speculative: Review bevantolol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. propranolol acquired_immunodeficiency_syndrome SPECULATIVE 0.0855 0.043478260869565216 nateglinide Speculative: Review propranolol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine acquired_immunodeficiency_syndrome SPECULATIVE 0.0855 0.037037037037037035 lisinopril Speculative: Review pseudoephedrine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tripelennamine nephrolithiasis SPECULATIVE 0.0855 0.017543859649122806 vandetanib Speculative: Review tripelennamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. anisindione larynx_cancer SPECULATIVE 0.0855 0.0 vinblastine Speculative: Review anisindione off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cytarabine asthma SPECULATIVE 0.0855 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs asthma mechanism. Phenotypic screen recommended. cytarabine atopic_dermatitis SPECULATIVE 0.0855 0.0 cinolazepam Speculative: Review cytarabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. cytarabine conduct_disorder SPECULATIVE 0.0855 0.0 flurazepam Speculative: Review cytarabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. cytarabine hypertension SPECULATIVE 0.0855 0.0 hydrocortisone Speculative: Review cytarabine off-target effects vs hypertension mechanism. Phenotypic screen recommended. dimetindene larynx_cancer SPECULATIVE 0.0855 0.0 vinblastine Speculative: Review dimetindene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. flavin_adenine_dinucleotide restless_legs_syndrome SPECULATIVE 0.0855 0.0 flurazepam Speculative: Review flavin_adenine_dinucleotide off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. methyclothiazide larynx_cancer SPECULATIVE 0.0855 0.0 vinblastine Speculative: Review methyclothiazide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. orphenadrine larynx_cancer SPECULATIVE 0.0855 0.0 vinblastine Speculative: Review orphenadrine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tenofovir ankylosing_spondylitis SPECULATIVE 0.0855 0.0 flurazepam Speculative: Review tenofovir off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. fenoprofen gilles_de_la_tourette_syndrome GAP_HIGH 0.0854 0.16666666666666666 mazindol High-priority: Binding assay fenoprofen→?; validate in gilles_de_la_tourette_syndrome cell model. Expected: similar to mazindol (Jaccard=0.17) phenytoin celiac_disease SPECULATIVE 0.0854 0.13953488372093023 modafinil Speculative: Review phenytoin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. beclomethasone chronic_kidney_failure SPECULATIVE 0.0854 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. voacamine atopic_dermatitis SPECULATIVE 0.0854 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. voacamine conduct_disorder SPECULATIVE 0.0854 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. lacosamide malignant_mesothelioma SPECULATIVE 0.0854 0.10526315789473684 melphalan Speculative: Review lacosamide off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. doxepin brain_cancer SPECULATIVE 0.0854 0.1 podofilox Speculative: Review doxepin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. doxepin intracranial_aneurysm SPECULATIVE 0.0854 0.1 podofilox Speculative: Review doxepin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pargyline malignant_mesothelioma SPECULATIVE 0.0854 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phenylpropanolamine chronic_kidney_failure SPECULATIVE 0.0854 0.09523809523809523 tiaprofenic_acid Speculative: Review phenylpropanolamine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. benzatropine head_and_neck_cancer SPECULATIVE 0.0854 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. benzatropine malignant_glioma SPECULATIVE 0.0854 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. moricizine larynx_cancer SPECULATIVE 0.0854 0.07692307692307693 epirubicin Speculative: Review moricizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adenosine_triphosphate obesity SPECULATIVE 0.0854 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs obesity mechanism. Phenotypic screen recommended. gefitinib larynx_cancer SPECULATIVE 0.0854 0.05263157894736842 docetaxel Speculative: Review gefitinib off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. alcaftadine hematologic_cancer SPECULATIVE 0.0854 0.0392156862745098 s-adenosylmethionine Speculative: Review alcaftadine off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. phenindione type_1_diabetes_mellitus SPECULATIVE 0.0854 0.03225806451612903 bezafibrate Speculative: Review phenindione off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. abacavir atherosclerosis SPECULATIVE 0.0854 0.0 fenoprofen Speculative: Review abacavir off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. allylestrenol glaucoma SPECULATIVE 0.0854 0.0 pirbuterol Speculative: Review allylestrenol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cinolazepam lymphatic_system_cancer SPECULATIVE 0.0854 0.0 vinblastine Speculative: Review cinolazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cytarabine allergic_rhinitis SPECULATIVE 0.0854 0.0 flurazepam Speculative: Review cytarabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. cytarabine bipolar_disorder SPECULATIVE 0.0854 0.0 flurazepam Speculative: Review cytarabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. diazepam lymphatic_system_cancer SPECULATIVE 0.0854 0.0 vinblastine Speculative: Review diazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. estazolam head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review estazolam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. estazolam malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review estazolam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. levomilnacipran head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. levomilnacipran malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. milnacipran head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. milnacipran malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pimozide head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pimozide malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pirbuterol head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pirbuterol malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. quinethazone lymphatic_system_cancer SPECULATIVE 0.0854 0.0 vinblastine Speculative: Review quinethazone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. salbutamol head_and_neck_cancer SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review salbutamol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. salbutamol malignant_glioma SPECULATIVE 0.0854 0.0 hydrocortisone Speculative: Review salbutamol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. tranylcypromine lymphatic_system_cancer SPECULATIVE 0.0854 0.0 vinblastine Speculative: Review tranylcypromine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mequitazine germ_cell_cancer SPECULATIVE 0.0853 0.125 alendronate Speculative: Review mequitazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. mazindol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0853 0.12195121951219512 azatadine Speculative: Review mazindol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. propiomazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0853 0.12 diphenhydramine Speculative: Review propiomazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pseudoephedrine kidney_cancer SPECULATIVE 0.0853 0.11764705882352941 procaine Speculative: Review pseudoephedrine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. nortriptyline salivary_gland_cancer SPECULATIVE 0.0853 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. voacamine allergic_rhinitis SPECULATIVE 0.0853 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. voacamine bipolar_disorder SPECULATIVE 0.0853 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. pseudoephedrine type_1_diabetes_mellitus SPECULATIVE 0.0853 0.10714285714285714 olsalazine Speculative: Review pseudoephedrine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. benzatropine kidney_cancer SPECULATIVE 0.0853 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. isoprenaline alopecia_areata SPECULATIVE 0.0853 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. sulfaphenazole prostate_cancer SPECULATIVE 0.0853 0.05555555555555555 fluticasone_propionate Speculative: Review sulfaphenazole off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine chronic_kidney_failure SPECULATIVE 0.0853 0.014492753623188406 bevantolol Speculative: Review s-adenosylmethionine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. acenocoumarol alopecia_areata SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine_monophosphate alopecia_areata SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review adenosine_monophosphate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cytarabine endogenous_depression SPECULATIVE 0.0853 0.0 flurazepam Speculative: Review cytarabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. levomilnacipran kidney_cancer SPECULATIVE 0.0853 0.0 oxybuprocaine Speculative: Review levomilnacipran off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. mepyramine alopecia_areata SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review mepyramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. milnacipran kidney_cancer SPECULATIVE 0.0853 0.0 oxybuprocaine Speculative: Review milnacipran off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. nelarabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review nelarabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. nelarabine epilepsy_syndrome SPECULATIVE 0.0853 0.0 flurazepam Speculative: Review nelarabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tenofovir chronic_obstructive_pulmonary_disease SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. tenofovir epilepsy_syndrome SPECULATIVE 0.0853 0.0 flurazepam Speculative: Review tenofovir off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tripelennamine alopecia_areata SPECULATIVE 0.0853 0.0 hydrocortisone Speculative: Review tripelennamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trimipramine meningioma GAP_HIGH 0.0852 0.17647058823529413 diphenylpyraline High-priority: Binding assay trimipramine→?; validate in meningioma cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) pseudoephedrine nephrolithiasis SPECULATIVE 0.0852 0.11764705882352941 procaine Speculative: Review pseudoephedrine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. voacamine endogenous_depression SPECULATIVE 0.0852 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. voacamine psoriasis SPECULATIVE 0.0852 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. acetophenazine penile_cancer SPECULATIVE 0.0852 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. amitriptyline brain_cancer SPECULATIVE 0.0852 0.1 podofilox Speculative: Review amitriptyline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. amitriptyline intracranial_aneurysm SPECULATIVE 0.0852 0.1 podofilox Speculative: Review amitriptyline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. raloxifene meningioma SPECULATIVE 0.0852 0.1 dexamethasone Speculative: Review raloxifene off-target effects vs meningioma mechanism. Phenotypic screen recommended. benzatropine nephrolithiasis SPECULATIVE 0.0852 0.09090909090909091 epirubicin Speculative: Review benzatropine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ethinyl_estradiol chronic_kidney_failure SPECULATIVE 0.0852 0.07692307692307693 clotrimazole Speculative: Review ethinyl_estradiol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. vinblastine celiac_disease SPECULATIVE 0.0852 0.07692307692307693 clocortolone Speculative: Review vinblastine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. buclizine esophageal_cancer SPECULATIVE 0.0852 0.06896551724137931 etoricoxib Speculative: Review buclizine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. levonordefrin gilles_de_la_tourette_syndrome SPECULATIVE 0.0852 0.0625 tolterodine Speculative: Review levonordefrin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. levonordefrin alopecia_areata SPECULATIVE 0.0852 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vindesine malaria SPECULATIVE 0.0852 0.03333333333333333 phenytoin Speculative: Review vindesine off-target effects vs malaria mechanism. Phenotypic screen recommended. phenacemide alcohol_dependence SPECULATIVE 0.0852 0.03125 temazepam Speculative: Review phenacemide off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. progesterone gestational_diabetes SPECULATIVE 0.0852 0.02702702702702703 bezafibrate Speculative: Review progesterone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. acepromazine bone_cancer SPECULATIVE 0.0852 0.0 ibandronate Speculative: Review acepromazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. acepromazine gestational_diabetes SPECULATIVE 0.0852 0.0 tolazamide Speculative: Review acepromazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. clomipramine bone_cancer SPECULATIVE 0.0852 0.0 ibandronate Speculative: Review clomipramine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cytarabine psoriasis SPECULATIVE 0.0852 0.0 loxapine Speculative: Review cytarabine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. difenoxin hepatitis_b SPECULATIVE 0.0852 0.0 mitiglinide Speculative: Review difenoxin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. disopyramide hepatitis_b SPECULATIVE 0.0852 0.0 mitiglinide Speculative: Review disopyramide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. doxylamine brain_cancer SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review doxylamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. doxylamine intracranial_aneurysm SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review doxylamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. drostanolone hepatitis_b SPECULATIVE 0.0852 0.0 mitiglinide Speculative: Review drostanolone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. gemcitabine dilated_cardiomyopathy SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review gemcitabine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. levomilnacipran nephrolithiasis SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review levomilnacipran off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. levomilnacipran refractive_error SPECULATIVE 0.0852 0.0 pirbuterol Speculative: Review levomilnacipran off-target effects vs refractive_error mechanism. Phenotypic screen recommended. milnacipran nephrolithiasis SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review milnacipran off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. milnacipran refractive_error SPECULATIVE 0.0852 0.0 pirbuterol Speculative: Review milnacipran off-target effects vs refractive_error mechanism. Phenotypic screen recommended. moricizine gestational_diabetes SPECULATIVE 0.0852 0.0 tolazamide Speculative: Review moricizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. nateglinide gestational_diabetes SPECULATIVE 0.0852 0.0 tolazamide Speculative: Review nateglinide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. oxazepam hepatitis_b SPECULATIVE 0.0852 0.0 mitiglinide Speculative: Review oxazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pargyline dilated_cardiomyopathy SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review pargyline off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. prednisone bone_cancer SPECULATIVE 0.0852 0.0 ibandronate Speculative: Review prednisone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. probenecid brain_cancer SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review probenecid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. probenecid intracranial_aneurysm SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review probenecid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. propranolol bone_cancer SPECULATIVE 0.0852 0.0 ibandronate Speculative: Review propranolol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. selegiline brain_cancer SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review selegiline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. selegiline intracranial_aneurysm SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review selegiline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tolazoline brain_cancer SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tolazoline intracranial_aneurysm SPECULATIVE 0.0852 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. zidovudine refractive_error SPECULATIVE 0.0852 0.0 pirbuterol Speculative: Review zidovudine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pseudoephedrine melanoma GAP_HIGH 0.0851 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in melanoma cell model. Expected: similar to fenoprofen (Jaccard=0.15) pirenzepine pharynx_cancer SPECULATIVE 0.0851 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. bromfenac prostate_cancer SPECULATIVE 0.0851 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. clocortolone membranous_glomerulonephritis SPECULATIVE 0.0851 0.125 floctafenine Speculative: Review clocortolone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. difluprednate membranous_glomerulonephritis SPECULATIVE 0.0851 0.125 floctafenine Speculative: Review difluprednate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. metoclopramide osteoporosis SPECULATIVE 0.0851 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. pargyline thyroid_cancer SPECULATIVE 0.0851 0.1111111111111111 liothyronine Speculative: Review pargyline off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. voacamine migraine SPECULATIVE 0.0851 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs migraine mechanism. Phenotypic screen recommended. voacamine multiple_sclerosis SPECULATIVE 0.0851 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. voacamine osteoporosis SPECULATIVE 0.0851 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. l-dopa focal_segmental_glomerulosclerosis SPECULATIVE 0.0851 0.1 fenoprofen Speculative: Review l-dopa off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. methotrexate idiopathic_pulmonary_fibrosis SPECULATIVE 0.0851 0.1 epinephrine Speculative: Review methotrexate off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. moricizine glaucoma SPECULATIVE 0.0851 0.09090909090909091 metaraminol Speculative: Review moricizine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. bethanidine type_1_diabetes_mellitus SPECULATIVE 0.0851 0.06060606060606061 methyldopa Speculative: Review bethanidine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. moricizine lymphatic_system_cancer SPECULATIVE 0.0851 0.058823529411764705 tetrahydrofolic_acid Speculative: Review moricizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. sulfadiazine meningioma SPECULATIVE 0.0851 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. adenosine_monophosphate idiopathic_pulmonary_fibrosis SPECULATIVE 0.0851 0.04477611940298507 zafirlukast Speculative: Review adenosine_monophosphate off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. acenocoumarol pharynx_cancer SPECULATIVE 0.0851 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. acetylsalicylic_acid malaria SPECULATIVE 0.0851 0.041666666666666664 caffeine Speculative: Review acetylsalicylic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. floxuridine azoospermia SPECULATIVE 0.0851 0.034482758620689655 acetylsalicylic_acid Speculative: Review floxuridine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. metoclopramide hepatitis_b SPECULATIVE 0.0851 0.031746031746031744 mitiglinide Speculative: Review metoclopramide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. dimetindene kidney_cancer SPECULATIVE 0.0851 0.017857142857142856 vandetanib Speculative: Review dimetindene off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cinnarizine acquired_immunodeficiency_syndrome SPECULATIVE 0.0851 0.0 mitiglinide Speculative: Review cinnarizine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. teniposide acquired_immunodeficiency_syndrome SPECULATIVE 0.0851 0.0 mitiglinide Speculative: Review teniposide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tenofovir pancreatitis SPECULATIVE 0.0851 0.0 hydrocortisone Speculative: Review tenofovir off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. promazine kidney_cancer SPECULATIVE 0.085 0.14814814814814814 levorphanol Speculative: Review promazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. olsalazine meningioma SPECULATIVE 0.085 0.125 pralatrexate Speculative: Review olsalazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. mazindol primary_biliary_cirrhosis SPECULATIVE 0.085 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. zuclopenthixol head_and_neck_cancer SPECULATIVE 0.085 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. zuclopenthixol malignant_glioma SPECULATIVE 0.085 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. nortriptyline ocular_cancer SPECULATIVE 0.085 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. acetophenazine malignant_mesothelioma SPECULATIVE 0.085 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. atomoxetine head_and_neck_cancer SPECULATIVE 0.085 0.1 topotecan Speculative: Review atomoxetine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. atomoxetine malignant_glioma SPECULATIVE 0.085 0.1 topotecan Speculative: Review atomoxetine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. menadione narcolepsy SPECULATIVE 0.085 0.09090909090909091 l-tryptophan Speculative: Review menadione off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. phenylpropanolamine kidney_cancer SPECULATIVE 0.085 0.09090909090909091 acetaminophen Speculative: Review phenylpropanolamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. diazepam salivary_gland_cancer SPECULATIVE 0.085 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. clocortolone malaria SPECULATIVE 0.085 0.08333333333333333 talbutal Speculative: Review clocortolone off-target effects vs malaria mechanism. Phenotypic screen recommended. difluprednate malaria SPECULATIVE 0.085 0.08333333333333333 talbutal Speculative: Review difluprednate off-target effects vs malaria mechanism. Phenotypic screen recommended. vindesine idiopathic_pulmonary_fibrosis SPECULATIVE 0.085 0.07142857142857142 fluticasone_propionate Speculative: Review vindesine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. gefitinib gilles_de_la_tourette_syndrome SPECULATIVE 0.085 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. clonidine intracranial_aneurysm SPECULATIVE 0.085 0.06666666666666667 dexamethasone Speculative: Review clonidine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cyproheptadine hematologic_cancer SPECULATIVE 0.085 0.0392156862745098 s-adenosylmethionine Speculative: Review cyproheptadine off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. acenocoumarol primary_biliary_cirrhosis SPECULATIVE 0.085 0.034482758620689655 bezafibrate Speculative: Review acenocoumarol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. fenoprofen bone_cancer SPECULATIVE 0.085 0.02702702702702703 alendronate Speculative: Review fenoprofen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. indapamide gilles_de_la_tourette_syndrome SPECULATIVE 0.085 0.025 mazindol Speculative: Review indapamide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. dimetindene nephrolithiasis SPECULATIVE 0.085 0.017857142857142856 vandetanib Speculative: Review dimetindene off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. zidovudine celiac_disease SPECULATIVE 0.085 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. zidovudine chronic_kidney_failure SPECULATIVE 0.085 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. vandetanib rheumatoid_arthritis GAP_HIGH 0.0849 0.1509433962264151 erlotinib High-priority: Binding assay vandetanib→?; validate in rheumatoid_arthritis cell model. Expected: similar to erlotinib (Jaccard=0.15) bromfenac mediastinal_cancer SPECULATIVE 0.0849 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid kidney_cancer SPECULATIVE 0.0849 0.125 sulfaphenazole Speculative: Review aminosalicylic_acid off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. erlotinib restless_legs_syndrome SPECULATIVE 0.0849 0.125 acetylsalicylic_acid Speculative: Review erlotinib off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. zuclopenthixol kidney_cancer SPECULATIVE 0.0849 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. spironolactone focal_segmental_glomerulosclerosis SPECULATIVE 0.0849 0.1111111111111111 bumetanide Speculative: Review spironolactone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. atomoxetine kidney_cancer SPECULATIVE 0.0849 0.1 benzocaine Speculative: Review atomoxetine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. sunitinib amyotrophic_lateral_sclerosis SPECULATIVE 0.0849 0.1 pseudoephedrine Speculative: Review sunitinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. chlorcyclizine atherosclerosis SPECULATIVE 0.0849 0.0975609756097561 pseudoephedrine Speculative: Review chlorcyclizine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. megestrol_acetate azoospermia SPECULATIVE 0.0849 0.09090909090909091 acetylsalicylic_acid Speculative: Review megestrol_acetate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. levonordefrin membranous_glomerulonephritis SPECULATIVE 0.0849 0.07692307692307693 acetophenazine Speculative: Review levonordefrin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. temazepam type_1_diabetes_mellitus SPECULATIVE 0.0849 0.07692307692307693 atropine Speculative: Review temazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. adenosine_triphosphate restless_legs_syndrome SPECULATIVE 0.0849 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate type_2_diabetes_mellitus SPECULATIVE 0.0849 0.06521739130434782 acetylsalicylic_acid Speculative: Review adenosine_triphosphate off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. levorphanol atherosclerosis SPECULATIVE 0.0849 0.05405405405405406 flurbiprofen Speculative: Review levorphanol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate amyotrophic_lateral_sclerosis SPECULATIVE 0.0849 0.05263157894736842 phenprocoumon Speculative: Review adenosine_triphosphate off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate nicotine_dependence SPECULATIVE 0.0849 0.05263157894736842 phenprocoumon Speculative: Review adenosine_triphosphate off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. vidarabine coronary_artery_disease SPECULATIVE 0.0849 0.04 menadione Speculative: Review vidarabine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. vidarabine narcolepsy SPECULATIVE 0.0849 0.04 isoprenaline Speculative: Review vidarabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. azacitidine azoospermia SPECULATIVE 0.0849 0.0 phenylbutazone Speculative: Review azacitidine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. trimipramine peripheral_nervous_system_neoplasm GAP_HIGH 0.0848 0.2 tamoxifen High-priority: Binding assay trimipramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tamoxifen (Jaccard=0.20) testolactone alzheimers_disease GAP_HIGH 0.0848 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in alzheimers_disease cell model. Expected: similar to levorphanol (Jaccard=0.16) bromfenac thymus_cancer SPECULATIVE 0.0848 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. metoclopramide systemic_lupus_erythematosus SPECULATIVE 0.0848 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. zuclopenthixol nephrolithiasis SPECULATIVE 0.0848 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. sorafenib duodenum_cancer SPECULATIVE 0.0848 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. sorafenib gallbladder_cancer SPECULATIVE 0.0848 0.1111111111111111 docetaxel Speculative: Review sorafenib off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. pargyline duodenum_cancer SPECULATIVE 0.0848 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. pargyline gallbladder_cancer SPECULATIVE 0.0848 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. atomoxetine nephrolithiasis SPECULATIVE 0.0848 0.1 benzocaine Speculative: Review atomoxetine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cyclopentolate glaucoma SPECULATIVE 0.0848 0.1 methacholine Speculative: Review cyclopentolate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. propericiazine alopecia_areata SPECULATIVE 0.0848 0.1 levorphanol Speculative: Review propericiazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. progesterone atherosclerosis SPECULATIVE 0.0848 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. desipramine intracranial_aneurysm SPECULATIVE 0.0848 0.09090909090909091 dexamethasone Speculative: Review desipramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. voacamine membranous_glomerulonephritis SPECULATIVE 0.0848 0.08333333333333333 alvimopan Speculative: Review voacamine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. dexamethasone hepatitis_b SPECULATIVE 0.0848 0.07142857142857142 trandolapril Speculative: Review dexamethasone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. salicylic_acid nephrolithiasis SPECULATIVE 0.0848 0.07142857142857142 spironolactone Speculative: Review salicylic_acid off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. dydrogesterone atherosclerosis SPECULATIVE 0.0848 0.06896551724137931 acetylsalicylic_acid Speculative: Review dydrogesterone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. procarbazine brain_cancer SPECULATIVE 0.0848 0.0625 estradiol_valeratedienogest Speculative: Review procarbazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. modafinil dilated_cardiomyopathy SPECULATIVE 0.0848 0.05714285714285714 drospirenone Speculative: Review modafinil off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vidarabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0848 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. clodronate type_1_diabetes_mellitus SPECULATIVE 0.0848 0.045454545454545456 sulfapyridine Speculative: Review clodronate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. adenosine_monophosphate gout SPECULATIVE 0.0848 0.04477611940298507 gliclazide Speculative: Review adenosine_monophosphate off-target effects vs gout mechanism. Phenotypic screen recommended. bevantolol type_1_diabetes_mellitus SPECULATIVE 0.0848 0.043478260869565216 tioguanine Speculative: Review bevantolol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. trimipramine dilated_cardiomyopathy SPECULATIVE 0.0848 0.041666666666666664 trandolapril Speculative: Review trimipramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. buclizine lymphatic_system_cancer SPECULATIVE 0.0848 0.03896103896103896 adenosine_monophosphate Speculative: Review buclizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. entecavir azoospermia SPECULATIVE 0.0848 0.038461538461538464 procaine Speculative: Review entecavir off-target effects vs azoospermia mechanism. Phenotypic screen recommended. phenacemide dilated_cardiomyopathy SPECULATIVE 0.0848 0.034482758620689655 trandolapril Speculative: Review phenacemide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. abacavir malaria SPECULATIVE 0.0848 0.0 ethotoin Speculative: Review abacavir off-target effects vs malaria mechanism. Phenotypic screen recommended. alvimopan alcohol_dependence SPECULATIVE 0.0848 0.0 midazolam Speculative: Review alvimopan off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. butenafine alcohol_dependence SPECULATIVE 0.0848 0.0 midazolam Speculative: Review butenafine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. etoricoxib gestational_diabetes SPECULATIVE 0.0848 0.0 tolazamide Speculative: Review etoricoxib off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. l-histidine alcohol_dependence SPECULATIVE 0.0848 0.0 midazolam Speculative: Review l-histidine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. lamivudine alcohol_dependence SPECULATIVE 0.0848 0.0 midazolam Speculative: Review lamivudine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. propiomazine bone_cancer SPECULATIVE 0.0848 0.0 ibandronate Speculative: Review propiomazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. propiomazine gestational_diabetes SPECULATIVE 0.0848 0.0 tolazamide Speculative: Review propiomazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. raloxifene bone_cancer SPECULATIVE 0.0848 0.0 ibandronate Speculative: Review raloxifene off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. raloxifene gestational_diabetes SPECULATIVE 0.0848 0.0 tolazamide Speculative: Review raloxifene off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tiaprofenic_acid bone_cancer SPECULATIVE 0.0848 0.0 ibandronate Speculative: Review tiaprofenic_acid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. testolactone nicotine_dependence GAP_HIGH 0.0847 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in nicotine_dependence cell model. Expected: similar to levorphanol (Jaccard=0.16) ethopropazine kidney_cancer SPECULATIVE 0.0847 0.14814814814814814 oxybuprocaine Speculative: Review ethopropazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cortisone_acetate parkinsons_disease SPECULATIVE 0.0847 0.125 dextromethorphan Speculative: Review cortisone_acetate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. mequitazine penile_cancer SPECULATIVE 0.0847 0.125 alendronate Speculative: Review mequitazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. nortriptyline peripheral_nervous_system_neoplasm SPECULATIVE 0.0847 0.1111111111111111 alendronate Speculative: Review nortriptyline off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. pseudoephedrine brain_cancer SPECULATIVE 0.0847 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pseudoephedrine intracranial_aneurysm SPECULATIVE 0.0847 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. azelastine pharynx_cancer SPECULATIVE 0.0847 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine germ_cell_cancer SPECULATIVE 0.0847 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. vinblastine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0847 0.09090909090909091 fluticasone_propionate Speculative: Review vinblastine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. diazepam ocular_cancer SPECULATIVE 0.0847 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol nephrolithiasis SPECULATIVE 0.0847 0.08695652173913043 procaine Speculative: Review diethylstilbestrol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cyclizine kidney_cancer SPECULATIVE 0.0847 0.08333333333333333 oxybuprocaine Speculative: Review cyclizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. mestranol parkinsons_disease SPECULATIVE 0.0847 0.08 toremifene Speculative: Review mestranol off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. vinblastine type_1_diabetes_mellitus SPECULATIVE 0.0847 0.06666666666666667 rimexolone Speculative: Review vinblastine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. nitrazepam meningioma SPECULATIVE 0.0847 0.05263157894736842 phenylbutazone Speculative: Review nitrazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. bepridil lymphatic_system_cancer SPECULATIVE 0.0847 0.045454545454545456 riboflavin Speculative: Review bepridil off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate crohns_disease SPECULATIVE 0.0847 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. diphenylpyraline bone_cancer SPECULATIVE 0.0847 0.037037037037037035 alendronate Speculative: Review diphenylpyraline off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-phenylalanine chronic_kidney_failure SPECULATIVE 0.0847 0.024390243902439025 mazindol Speculative: Review l-phenylalanine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. amitriptyline dilated_cardiomyopathy SPECULATIVE 0.0847 0.0 hydrocortisone Speculative: Review amitriptyline off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. bepridil dilated_cardiomyopathy SPECULATIVE 0.0847 0.0 hydrocortisone Speculative: Review bepridil off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. floctafenine lymphatic_system_cancer SPECULATIVE 0.0847 0.0 vinblastine Speculative: Review floctafenine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. indapamide lymphatic_system_cancer SPECULATIVE 0.0847 0.0 vinblastine Speculative: Review indapamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nelarabine alzheimers_disease SPECULATIVE 0.0847 0.0 flurazepam Speculative: Review nelarabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. nitrazepam lymphatic_system_cancer SPECULATIVE 0.0847 0.0 vinblastine Speculative: Review nitrazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tenofovir alzheimers_disease SPECULATIVE 0.0847 0.0 flurazepam Speculative: Review tenofovir off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. chlorpromazine pharynx_cancer GAP_HIGH 0.0846 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) ethopropazine nephrolithiasis SPECULATIVE 0.0846 0.14814814814814814 oxybuprocaine Speculative: Review ethopropazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cortisone_acetate autistic_disorder SPECULATIVE 0.0846 0.125 dextromethorphan Speculative: Review cortisone_acetate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. metoclopramide osteoarthritis SPECULATIVE 0.0846 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. voacamine osteoarthritis SPECULATIVE 0.0846 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. lamivudine ankylosing_spondylitis SPECULATIVE 0.0846 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. methotrexate coronary_artery_disease SPECULATIVE 0.0846 0.1 naloxone Speculative: Review methotrexate off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. chlordiazepoxide germ_cell_cancer SPECULATIVE 0.0846 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cyclizine nephrolithiasis SPECULATIVE 0.0846 0.08333333333333333 oxybuprocaine Speculative: Review cyclizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mitiglinide meningioma SPECULATIVE 0.0846 0.08333333333333333 fentanyl Speculative: Review mitiglinide off-target effects vs meningioma mechanism. Phenotypic screen recommended. eplerenone azoospermia SPECULATIVE 0.0846 0.07692307692307693 aprindine Speculative: Review eplerenone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. sulfapyridine creutzfeldt-jakob_disease SPECULATIVE 0.0846 0.07692307692307693 lisinopril Speculative: Review sulfapyridine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. docetaxel refractive_error SPECULATIVE 0.0846 0.05555555555555555 masoprocol Speculative: Review docetaxel off-target effects vs refractive_error mechanism. Phenotypic screen recommended. ketoprofen membranous_glomerulonephritis SPECULATIVE 0.0846 0.045454545454545456 tamsulosin Speculative: Review ketoprofen off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. oxcarbazepine type_1_diabetes_mellitus SPECULATIVE 0.0846 0.038461538461538464 bezafibrate Speculative: Review oxcarbazepine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. l-serine malaria SPECULATIVE 0.0846 0.029411764705882353 methylphenobarbital Speculative: Review l-serine off-target effects vs malaria mechanism. Phenotypic screen recommended. diphenidol hepatitis_b SPECULATIVE 0.0846 0.02631578947368421 adenosine_triphosphate Speculative: Review diphenidol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. procainamide malaria SPECULATIVE 0.0846 0.013513513513513514 ethotoin Speculative: Review procainamide off-target effects vs malaria mechanism. Phenotypic screen recommended. adinazolam primary_biliary_cirrhosis SPECULATIVE 0.0846 0.0 hydrocortisone Speculative: Review adinazolam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. cyproheptadine larynx_cancer SPECULATIVE 0.0846 0.0 vinblastine Speculative: Review cyproheptadine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. disopyramide larynx_cancer SPECULATIVE 0.0846 0.0 vinblastine Speculative: Review disopyramide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. isocarboxazid larynx_cancer SPECULATIVE 0.0846 0.0 vinblastine Speculative: Review isocarboxazid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. nelarabine amyotrophic_lateral_sclerosis SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. nelarabine autistic_disorder SPECULATIVE 0.0846 0.0 flurazepam Speculative: Review nelarabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. nelarabine nicotine_dependence SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. nelarabine parkinsons_disease SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenmetrazine larynx_cancer SPECULATIVE 0.0846 0.0 vinblastine Speculative: Review phenmetrazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tenofovir amyotrophic_lateral_sclerosis SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. tenofovir autistic_disorder SPECULATIVE 0.0846 0.0 flurazepam Speculative: Review tenofovir off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. tenofovir nicotine_dependence SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. tenofovir parkinsons_disease SPECULATIVE 0.0846 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. pirenzepine salivary_gland_cancer SPECULATIVE 0.0845 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. doxepin head_and_neck_cancer SPECULATIVE 0.0845 0.1 podofilox Speculative: Review doxepin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. doxepin malignant_glioma SPECULATIVE 0.0845 0.1 podofilox Speculative: Review doxepin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fluoxymesterone atherosclerosis SPECULATIVE 0.0845 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. oxaprozin esophageal_cancer SPECULATIVE 0.0845 0.08333333333333333 letrozole Speculative: Review oxaprozin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. prednicarbate azoospermia SPECULATIVE 0.0845 0.08333333333333333 aprindine Speculative: Review prednicarbate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. temazepam glaucoma SPECULATIVE 0.0845 0.07692307692307693 metaraminol Speculative: Review temazepam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. afatinib atopic_dermatitis SPECULATIVE 0.0845 0.06666666666666667 medroxyprogesterone_acetate Speculative: Review afatinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. floxuridine epilepsy_syndrome SPECULATIVE 0.0845 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. adenosine_triphosphate chronic_obstructive_pulmonary_disease SPECULATIVE 0.0845 0.045454545454545456 propafenone Speculative: Review adenosine_triphosphate off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. s-adenosylmethionine ankylosing_spondylitis SPECULATIVE 0.0845 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. acenocoumarol salivary_gland_cancer SPECULATIVE 0.0845 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. alprazolam germ_cell_cancer SPECULATIVE 0.0845 0.0 hydrocortisone Speculative: Review alprazolam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. azatadine acquired_immunodeficiency_syndrome SPECULATIVE 0.0845 0.0 mitiglinide Speculative: Review azatadine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. diclofenamide germ_cell_cancer SPECULATIVE 0.0845 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. dipivefrin germ_cell_cancer SPECULATIVE 0.0845 0.0 hydrocortisone Speculative: Review dipivefrin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol acquired_immunodeficiency_syndrome SPECULATIVE 0.0845 0.0 mitiglinide Speculative: Review ethinyl_estradiol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tolterodine acquired_immunodeficiency_syndrome SPECULATIVE 0.0845 0.0 mitiglinide Speculative: Review tolterodine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. vitamin_a creutzfeldt-jakob_disease SPECULATIVE 0.0845 0.0 loxapine Speculative: Review vitamin_a off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. cortisone_acetate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0844 0.125 dextromethorphan Speculative: Review cortisone_acetate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. diphenhydramine alopecia_areata SPECULATIVE 0.0844 0.12121212121212122 levorphanol Speculative: Review diphenhydramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. doxepin penile_cancer SPECULATIVE 0.0844 0.11538461538461539 methadone Speculative: Review doxepin off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. acetophenazine meningioma SPECULATIVE 0.0844 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. indecainide primary_biliary_cirrhosis SPECULATIVE 0.0844 0.1 cyclopentolate Speculative: Review indecainide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. diphenhydramine atherosclerosis SPECULATIVE 0.0844 0.09090909090909091 warfarin Speculative: Review diphenhydramine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. diazepam peripheral_nervous_system_neoplasm SPECULATIVE 0.0844 0.08695652173913043 phenylbutazone Speculative: Review diazepam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. bezafibrate larynx_cancer SPECULATIVE 0.0844 0.07692307692307693 procarbazine Speculative: Review bezafibrate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cabazitaxel crohns_disease SPECULATIVE 0.0844 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. eplerenone chronic_kidney_failure SPECULATIVE 0.0844 0.07142857142857142 carbinoxamine Speculative: Review eplerenone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. procainamide azoospermia SPECULATIVE 0.0844 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. voacamine focal_segmental_glomerulosclerosis SPECULATIVE 0.0844 0.06666666666666667 promethazine Speculative: Review voacamine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. adenosine_triphosphate atopic_dermatitis SPECULATIVE 0.0844 0.05263157894736842 phenprocoumon Speculative: Review adenosine_triphosphate off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. phenytoin dilated_cardiomyopathy SPECULATIVE 0.0844 0.02857142857142857 rimexolone Speculative: Review phenytoin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cyclopentolate alcohol_dependence SPECULATIVE 0.0844 0.023255813953488372 mazindol Speculative: Review cyclopentolate off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. acenocoumarol esophageal_cancer SPECULATIVE 0.0844 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. adenosine narcolepsy SPECULATIVE 0.0844 0.0 phenylbutazone Speculative: Review adenosine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. anisindione alopecia_areata SPECULATIVE 0.0844 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. atropine bone_cancer SPECULATIVE 0.0844 0.0 ibandronate Speculative: Review atropine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. benzatropine bone_cancer SPECULATIVE 0.0844 0.0 ibandronate Speculative: Review benzatropine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. benzatropine gestational_diabetes SPECULATIVE 0.0844 0.0 tolazamide Speculative: Review benzatropine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. chlorprothixene bone_cancer SPECULATIVE 0.0844 0.0 ibandronate Speculative: Review chlorprothixene off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. desipramine alcohol_dependence SPECULATIVE 0.0844 0.0 midazolam Speculative: Review desipramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. dimetindene alopecia_areata SPECULATIVE 0.0844 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. liothyronine alcohol_dependence SPECULATIVE 0.0844 0.0 midazolam Speculative: Review liothyronine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. methyclothiazide alopecia_areata SPECULATIVE 0.0844 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. orphenadrine alopecia_areata SPECULATIVE 0.0844 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. salsalate bone_cancer SPECULATIVE 0.0844 0.0 ibandronate Speculative: Review salsalate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. thiothixene gestational_diabetes SPECULATIVE 0.0844 0.0 tolazamide Speculative: Review thiothixene off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. mesalazine autistic_disorder GAP_HIGH 0.0843 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in autistic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.19) mesalazine nicotine_dependence GAP_HIGH 0.0843 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in nicotine_dependence cell model. Expected: similar to l-dopa (Jaccard=0.19) chlorcyclizine kidney_cancer SPECULATIVE 0.0843 0.1388888888888889 oxybuprocaine Speculative: Review chlorcyclizine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. fentanyl esophageal_cancer SPECULATIVE 0.0843 0.13043478260869565 tamoxifen Speculative: Review fentanyl off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. fluocinonide chronic_kidney_failure SPECULATIVE 0.0843 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. rimexolone focal_segmental_glomerulosclerosis SPECULATIVE 0.0843 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. salsalate esophageal_cancer SPECULATIVE 0.0843 0.1 mesalazine Speculative: Review salsalate off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. sunitinib atopic_dermatitis SPECULATIVE 0.0843 0.1 pseudoephedrine Speculative: Review sunitinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. norethindrone gilles_de_la_tourette_syndrome SPECULATIVE 0.0843 0.08 loperamide Speculative: Review norethindrone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. clocortolone lymphatic_system_cancer SPECULATIVE 0.0843 0.07692307692307693 vinblastine Speculative: Review clocortolone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. difluprednate lymphatic_system_cancer SPECULATIVE 0.0843 0.07692307692307693 vinblastine Speculative: Review difluprednate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. megestrol_acetate gilles_de_la_tourette_syndrome SPECULATIVE 0.0843 0.07142857142857142 carbinoxamine Speculative: Review megestrol_acetate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. flurbiprofen alopecia_areata SPECULATIVE 0.0843 0.05405405405405406 levorphanol Speculative: Review flurbiprofen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. sulfadiazine mediastinal_cancer SPECULATIVE 0.0843 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. chlorthalidone hepatitis_b SPECULATIVE 0.0843 0.0 mitiglinide Speculative: Review chlorthalidone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. doxylamine head_and_neck_cancer SPECULATIVE 0.0843 0.0 hydrocortisone Speculative: Review doxylamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. doxylamine malignant_glioma SPECULATIVE 0.0843 0.0 hydrocortisone Speculative: Review doxylamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. nelarabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0843 0.0 flurazepam Speculative: Review nelarabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. tenofovir attention_deficit_hyperactivity_disorder SPECULATIVE 0.0843 0.0 flurazepam Speculative: Review tenofovir off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. tolazoline head_and_neck_cancer SPECULATIVE 0.0843 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tolazoline malignant_glioma SPECULATIVE 0.0843 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. testolactone panic_disorder GAP_HIGH 0.0842 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in panic_disorder cell model. Expected: similar to levorphanol (Jaccard=0.16) pirenzepine ocular_cancer SPECULATIVE 0.0842 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. chlorcyclizine nephrolithiasis SPECULATIVE 0.0842 0.1388888888888889 oxybuprocaine Speculative: Review chlorcyclizine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. metoclopramide systemic_scleroderma SPECULATIVE 0.0842 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. toremifene malaria SPECULATIVE 0.0842 0.11428571428571428 modafinil Speculative: Review toremifene off-target effects vs malaria mechanism. Phenotypic screen recommended. prochlorperazine salivary_gland_cancer SPECULATIVE 0.0842 0.1111111111111111 phenylephrine Speculative: Review prochlorperazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. bezafibrate chronic_kidney_failure SPECULATIVE 0.0842 0.10344827586206896 mefenamic_acid Speculative: Review bezafibrate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. sorafenib narcolepsy SPECULATIVE 0.0842 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. salicylic_acid prostate_cancer SPECULATIVE 0.0842 0.09090909090909091 trimipramine Speculative: Review salicylic_acid off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. beclomethasone malaria SPECULATIVE 0.0842 0.07692307692307693 talbutal Speculative: Review beclomethasone off-target effects vs malaria mechanism. Phenotypic screen recommended. midazolam hematologic_cancer SPECULATIVE 0.0842 0.06976744186046512 phensuximide Speculative: Review midazolam off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. l-tryptophan gilles_de_la_tourette_syndrome SPECULATIVE 0.0842 0.047619047619047616 loperamide Speculative: Review l-tryptophan off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. acenocoumarol ocular_cancer SPECULATIVE 0.0842 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. clofedanol bone_cancer SPECULATIVE 0.0842 0.03225806451612903 alendronate Speculative: Review clofedanol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. butenafine acquired_immunodeficiency_syndrome SPECULATIVE 0.0842 0.01639344262295082 adenosine_monophosphate Speculative: Review butenafine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. atomoxetine dilated_cardiomyopathy SPECULATIVE 0.0842 0.0 hydrocortisone Speculative: Review atomoxetine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cyclizine dilated_cardiomyopathy SPECULATIVE 0.0842 0.0 hydrocortisone Speculative: Review cyclizine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. indecainide dilated_cardiomyopathy SPECULATIVE 0.0842 0.0 hydrocortisone Speculative: Review indecainide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. loxapine dilated_cardiomyopathy SPECULATIVE 0.0842 0.0 hydrocortisone Speculative: Review loxapine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. testolactone conduct_disorder GAP_HIGH 0.0841 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in conduct_disorder cell model. Expected: similar to levorphanol (Jaccard=0.16) olsalazine mediastinal_cancer SPECULATIVE 0.0841 0.125 pralatrexate Speculative: Review olsalazine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. azelastine salivary_gland_cancer SPECULATIVE 0.0841 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. bromfenac intracranial_aneurysm SPECULATIVE 0.0841 0.1 procarbazine Speculative: Review bromfenac off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. eplerenone schizophrenia SPECULATIVE 0.0841 0.1 hydromorphone Speculative: Review eplerenone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. raloxifene hematologic_cancer SPECULATIVE 0.0841 0.1 megestrol_acetate Speculative: Review raloxifene off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. raloxifene narcolepsy SPECULATIVE 0.0841 0.1 tamoxifen Speculative: Review raloxifene off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. isoprenaline azoospermia SPECULATIVE 0.0841 0.09090909090909091 ritodrine Speculative: Review isoprenaline off-target effects vs azoospermia mechanism. Phenotypic screen recommended. vinblastine narcolepsy SPECULATIVE 0.0841 0.09090909090909091 promethazine Speculative: Review vinblastine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. gefitinib celiac_disease SPECULATIVE 0.0841 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. fluorometholone gilles_de_la_tourette_syndrome SPECULATIVE 0.0841 0.07142857142857142 carbinoxamine Speculative: Review fluorometholone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. masoprocol gilles_de_la_tourette_syndrome SPECULATIVE 0.0841 0.0625 mazindol Speculative: Review masoprocol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sulfadiazine thymus_cancer SPECULATIVE 0.0841 0.05263157894736842 procarbazine Speculative: Review sulfadiazine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine atopic_dermatitis SPECULATIVE 0.0841 0.05084745762711865 zafirlukast Speculative: Review s-adenosylmethionine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. l-phenylalanine thyroid_cancer SPECULATIVE 0.0841 0.047619047619047616 loperamide Speculative: Review l-phenylalanine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. clodronate gilles_de_la_tourette_syndrome SPECULATIVE 0.0841 0.041666666666666664 meclizine Speculative: Review clodronate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. s-adenosylmethionine creutzfeldt-jakob_disease SPECULATIVE 0.0841 0.0392156862745098 cyproheptadine Speculative: Review s-adenosylmethionine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. allylestrenol refractive_error SPECULATIVE 0.0841 0.0 pirbuterol Speculative: Review allylestrenol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. cortisone_acetate bone_cancer SPECULATIVE 0.0841 0.0 ibandronate Speculative: Review cortisone_acetate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ethylmorphine intracranial_aneurysm SPECULATIVE 0.0841 0.0 hydrocortisone Speculative: Review ethylmorphine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fluorometholone bone_cancer SPECULATIVE 0.0841 0.0 ibandronate Speculative: Review fluorometholone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. flurandrenolide bone_cancer SPECULATIVE 0.0841 0.0 ibandronate Speculative: Review flurandrenolide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. lidocaine brain_cancer SPECULATIVE 0.0841 0.0 hydrocortisone Speculative: Review lidocaine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lidocaine intracranial_aneurysm SPECULATIVE 0.0841 0.0 hydrocortisone Speculative: Review lidocaine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. loteprednol bone_cancer SPECULATIVE 0.0841 0.0 ibandronate Speculative: Review loteprednol off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mequitazine gestational_diabetes SPECULATIVE 0.0841 0.0 tolazamide Speculative: Review mequitazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. nelarabine panic_disorder SPECULATIVE 0.0841 0.0 flurazepam Speculative: Review nelarabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. nelarabine schizophrenia SPECULATIVE 0.0841 0.0 flurazepam Speculative: Review nelarabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. practolol intracranial_aneurysm SPECULATIVE 0.0841 0.0 hydrocortisone Speculative: Review practolol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. prednicarbate bone_cancer SPECULATIVE 0.0841 0.0 ibandronate Speculative: Review prednicarbate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tenofovir panic_disorder SPECULATIVE 0.0841 0.0 flurazepam Speculative: Review tenofovir off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. tenofovir schizophrenia SPECULATIVE 0.0841 0.0 flurazepam Speculative: Review tenofovir off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. tolazoline nephrolithiasis SPECULATIVE 0.0841 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. chlorpromazine salivary_gland_cancer GAP_HIGH 0.084 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) testolactone bipolar_disorder GAP_HIGH 0.084 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in bipolar_disorder cell model. Expected: similar to levorphanol (Jaccard=0.16) medrysone alzheimers_disease SPECULATIVE 0.084 0.15 levorphanol Speculative: Review medrysone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. olsalazine thymus_cancer SPECULATIVE 0.084 0.125 pralatrexate Speculative: Review olsalazine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. beclomethasone membranous_glomerulonephritis SPECULATIVE 0.084 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. acetophenazine pharynx_cancer SPECULATIVE 0.084 0.1111111111111111 isoprenaline Speculative: Review acetophenazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid focal_segmental_glomerulosclerosis SPECULATIVE 0.084 0.1111111111111111 acetophenazine Speculative: Review aminosalicylic_acid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. salicylate-sodium focal_segmental_glomerulosclerosis SPECULATIVE 0.084 0.1 ergocalciferol Speculative: Review salicylate-sodium off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. sorafenib idiopathic_pulmonary_fibrosis SPECULATIVE 0.084 0.1 dexamethasone Speculative: Review sorafenib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. chlordiazepoxide penile_cancer SPECULATIVE 0.084 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. l-dopa gilles_de_la_tourette_syndrome SPECULATIVE 0.084 0.09523809523809523 ifenprodil Speculative: Review l-dopa off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. moricizine head_and_neck_cancer SPECULATIVE 0.084 0.09090909090909091 topotecan Speculative: Review moricizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. moricizine malignant_glioma SPECULATIVE 0.084 0.09090909090909091 topotecan Speculative: Review moricizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. bezafibrate alopecia_areata SPECULATIVE 0.084 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cabazitaxel idiopathic_pulmonary_fibrosis SPECULATIVE 0.084 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. prednicarbate chronic_kidney_failure SPECULATIVE 0.084 0.07692307692307693 carbinoxamine Speculative: Review prednicarbate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. bromodiphenhydramine refractive_error SPECULATIVE 0.084 0.0625 l-dopa Speculative: Review bromodiphenhydramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. adenosine_triphosphate migraine SPECULATIVE 0.084 0.05263157894736842 phenprocoumon Speculative: Review adenosine_triphosphate off-target effects vs migraine mechanism. Phenotypic screen recommended. sorafenib hepatitis_b SPECULATIVE 0.084 0.05263157894736842 trifluridine Speculative: Review sorafenib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. azelastine type_1_diabetes_mellitus SPECULATIVE 0.084 0.05 atropine Speculative: Review azelastine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. levorphanol lymphatic_system_cancer SPECULATIVE 0.084 0.05 tetrahydrofolic_acid Speculative: Review levorphanol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine schizophrenia SPECULATIVE 0.084 0.05 gefitinib Speculative: Review s-adenosylmethionine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. prochlorperazine malaria SPECULATIVE 0.084 0.037037037037037035 modafinil Speculative: Review prochlorperazine off-target effects vs malaria mechanism. Phenotypic screen recommended. estradiol acquired_immunodeficiency_syndrome SPECULATIVE 0.084 0.0 mitiglinide Speculative: Review estradiol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. estradiol_valeratedienogest acquired_immunodeficiency_syndrome SPECULATIVE 0.084 0.0 mitiglinide Speculative: Review estradiol_valeratedienogest off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. indapamide malaria SPECULATIVE 0.084 0.0 ethotoin Speculative: Review indapamide off-target effects vs malaria mechanism. Phenotypic screen recommended. mepenzolate acquired_immunodeficiency_syndrome SPECULATIVE 0.084 0.0 mitiglinide Speculative: Review mepenzolate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. nelarabine asthma SPECULATIVE 0.084 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs asthma mechanism. Phenotypic screen recommended. nelarabine atopic_dermatitis SPECULATIVE 0.084 0.0 cinolazepam Speculative: Review nelarabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. nelarabine conduct_disorder SPECULATIVE 0.084 0.0 flurazepam Speculative: Review nelarabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. nelarabine hypertension SPECULATIVE 0.084 0.0 hydrocortisone Speculative: Review nelarabine off-target effects vs hypertension mechanism. Phenotypic screen recommended. podofilox acquired_immunodeficiency_syndrome SPECULATIVE 0.084 0.0 mitiglinide Speculative: Review podofilox off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. pralatrexate focal_segmental_glomerulosclerosis SPECULATIVE 0.084 0.0 methdilazine Speculative: Review pralatrexate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. tenofovir asthma SPECULATIVE 0.084 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs asthma mechanism. Phenotypic screen recommended. tenofovir atopic_dermatitis SPECULATIVE 0.084 0.0 cinolazepam Speculative: Review tenofovir off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. tenofovir breast_cancer SPECULATIVE 0.084 0.0 flurazepam Speculative: Review tenofovir off-target effects vs breast_cancer mechanism. Phenotypic screen recommended. tenofovir colon_cancer SPECULATIVE 0.084 0.0 flurazepam Speculative: Review tenofovir off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. tenofovir conduct_disorder SPECULATIVE 0.084 0.0 flurazepam Speculative: Review tenofovir off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. testolactone endogenous_depression GAP_HIGH 0.0839 0.16 levorphanol High-priority: Binding assay testolactone→?; validate in endogenous_depression cell model. Expected: similar to levorphanol (Jaccard=0.16) medrysone nicotine_dependence SPECULATIVE 0.0839 0.15 levorphanol Speculative: Review medrysone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. pirenzepine peripheral_nervous_system_neoplasm SPECULATIVE 0.0839 0.14285714285714285 alendronate Speculative: Review pirenzepine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. dydrogesterone alzheimers_disease SPECULATIVE 0.0839 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. fludrocortisone focal_segmental_glomerulosclerosis SPECULATIVE 0.0839 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. promazine type_1_diabetes_mellitus SPECULATIVE 0.0839 0.13043478260869565 cyclopentolate Speculative: Review promazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. mequitazine meningioma SPECULATIVE 0.0839 0.125 alendronate Speculative: Review mequitazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. carbidopa chronic_kidney_failure SPECULATIVE 0.0839 0.1111111111111111 salsalate Speculative: Review carbidopa off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. moricizine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0839 0.1111111111111111 cyclandelate Speculative: Review moricizine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. lacosamide mediastinal_cancer SPECULATIVE 0.0839 0.10526315789473684 melphalan Speculative: Review lacosamide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. salsalate intracranial_aneurysm SPECULATIVE 0.0839 0.10526315789473684 procarbazine Speculative: Review salsalate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. carbinoxamine head_and_neck_cancer SPECULATIVE 0.0839 0.1 loteprednol Speculative: Review carbinoxamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine malignant_mesothelioma SPECULATIVE 0.0839 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. pseudoephedrine gilles_de_la_tourette_syndrome SPECULATIVE 0.0839 0.0975609756097561 chlorcyclizine Speculative: Review pseudoephedrine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pargyline mediastinal_cancer SPECULATIVE 0.0839 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. clocortolone larynx_cancer SPECULATIVE 0.0839 0.09090909090909091 pantoprazole Speculative: Review clocortolone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. difluprednate larynx_cancer SPECULATIVE 0.0839 0.09090909090909091 pantoprazole Speculative: Review difluprednate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. estradiol membranous_glomerulonephritis SPECULATIVE 0.0839 0.08333333333333333 adefovir_dipivoxil Speculative: Review estradiol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. thiothixene atherosclerosis SPECULATIVE 0.0839 0.07692307692307693 salicylic_acid Speculative: Review thiothixene off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. aceprometazine glaucoma SPECULATIVE 0.0839 0.06666666666666667 sotalol Speculative: Review aceprometazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. lamivudine type_1_diabetes_mellitus SPECULATIVE 0.0839 0.06666666666666667 tioguanine Speculative: Review lamivudine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. s-adenosylmethionine metabolic_syndrome_x SPECULATIVE 0.0839 0.05357142857142857 sulpiride Speculative: Review s-adenosylmethionine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. s-adenosylmethionine psoriasis SPECULATIVE 0.0839 0.05084745762711865 zafirlukast Speculative: Review s-adenosylmethionine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. vindesine gilles_de_la_tourette_syndrome SPECULATIVE 0.0839 0.047619047619047616 ethopropazine Speculative: Review vindesine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. acenocoumarol peripheral_nervous_system_neoplasm SPECULATIVE 0.0839 0.043478260869565216 phenylbutazone Speculative: Review acenocoumarol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. bevantolol brain_cancer SPECULATIVE 0.0839 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bevantolol intracranial_aneurysm SPECULATIVE 0.0839 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pargyline lymphatic_system_cancer SPECULATIVE 0.0839 0.03571428571428571 riboflavin Speculative: Review pargyline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. azatadine hepatitis_b SPECULATIVE 0.0839 0.03508771929824561 s-adenosylmethionine Speculative: Review azatadine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorcyclizine gestational_diabetes SPECULATIVE 0.0839 0.022222222222222223 bezafibrate Speculative: Review chlorcyclizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. brompheniramine alcohol_dependence SPECULATIVE 0.0839 0.0 midazolam Speculative: Review brompheniramine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. goserelin atherosclerosis SPECULATIVE 0.0839 0.0 fenoprofen Speculative: Review goserelin off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. goserelin lymphatic_system_cancer SPECULATIVE 0.0839 0.0 vinblastine Speculative: Review goserelin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. nelarabine allergic_rhinitis SPECULATIVE 0.0839 0.0 flurazepam Speculative: Review nelarabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. nelarabine bipolar_disorder SPECULATIVE 0.0839 0.0 flurazepam Speculative: Review nelarabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. oxcarbazepine lymphatic_system_cancer SPECULATIVE 0.0839 0.0 vinblastine Speculative: Review oxcarbazepine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phenindione lymphatic_system_cancer SPECULATIVE 0.0839 0.0 vinblastine Speculative: Review phenindione off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tenofovir allergic_rhinitis SPECULATIVE 0.0839 0.0 flurazepam Speculative: Review tenofovir off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. tenofovir bipolar_disorder SPECULATIVE 0.0839 0.0 flurazepam Speculative: Review tenofovir off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. vitamin_a chronic_obstructive_pulmonary_disease SPECULATIVE 0.0839 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. vitamin_a epilepsy_syndrome SPECULATIVE 0.0839 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. voacamine alcohol_dependence SPECULATIVE 0.0839 0.0 midazolam Speculative: Review voacamine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. mesalazine conduct_disorder GAP_HIGH 0.0838 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in conduct_disorder cell model. Expected: similar to l-dopa (Jaccard=0.19) mesalazine panic_disorder GAP_HIGH 0.0838 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in panic_disorder cell model. Expected: similar to l-dopa (Jaccard=0.19) mesalazine schizophrenia GAP_HIGH 0.0838 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in schizophrenia cell model. Expected: similar to l-dopa (Jaccard=0.19) dydrogesterone nicotine_dependence SPECULATIVE 0.0838 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. voacamine restless_legs_syndrome SPECULATIVE 0.0838 0.1111111111111111 epinastine Speculative: Review voacamine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine head_and_neck_cancer SPECULATIVE 0.0838 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pseudoephedrine malignant_glioma SPECULATIVE 0.0838 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lacosamide thymus_cancer SPECULATIVE 0.0838 0.10526315789473684 melphalan Speculative: Review lacosamide off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. azelastine ocular_cancer SPECULATIVE 0.0838 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. paclitaxel migraine SPECULATIVE 0.0838 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs migraine mechanism. Phenotypic screen recommended. pargyline thymus_cancer SPECULATIVE 0.0838 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. menadione creutzfeldt-jakob_disease SPECULATIVE 0.0838 0.09090909090909091 l-tryptophan Speculative: Review menadione off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. moricizine refractive_error SPECULATIVE 0.0838 0.09090909090909091 metaraminol Speculative: Review moricizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. voacamine coronary_artery_disease SPECULATIVE 0.0838 0.09090909090909091 eprosartan Speculative: Review voacamine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. lacosamide nephrolithiasis SPECULATIVE 0.0838 0.08333333333333333 benzocaine Speculative: Review lacosamide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. isoprenaline gilles_de_la_tourette_syndrome SPECULATIVE 0.0838 0.07142857142857142 trifluoperazine Speculative: Review isoprenaline off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. oxaprozin larynx_cancer SPECULATIVE 0.0838 0.06666666666666667 vinblastine Speculative: Review oxaprozin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. sulfaphenazole thyroid_cancer SPECULATIVE 0.0838 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. sulfadiazine prostate_cancer SPECULATIVE 0.0838 0.05 fluticasone_propionate Speculative: Review sulfadiazine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate coronary_artery_disease SPECULATIVE 0.0838 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. methadone bone_cancer SPECULATIVE 0.0838 0.038461538461538464 alendronate Speculative: Review methadone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fludiazepam alopecia_areata SPECULATIVE 0.0838 0.037037037037037035 levorphanol Speculative: Review fludiazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. bepridil acquired_immunodeficiency_syndrome SPECULATIVE 0.0838 0.015873015873015872 adenosine_monophosphate Speculative: Review bepridil off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. acetophenazine dilated_cardiomyopathy SPECULATIVE 0.0838 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. butenafine dilated_cardiomyopathy SPECULATIVE 0.0838 0.0 hydrocortisone Speculative: Review butenafine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. clofarabine chronic_kidney_failure SPECULATIVE 0.0838 0.0 cinolazepam Speculative: Review clofarabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. doxepin dilated_cardiomyopathy SPECULATIVE 0.0838 0.0 hydrocortisone Speculative: Review doxepin off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. nelarabine endogenous_depression SPECULATIVE 0.0838 0.0 flurazepam Speculative: Review nelarabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. pralatrexate gilles_de_la_tourette_syndrome SPECULATIVE 0.0838 0.0 loxapine Speculative: Review pralatrexate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. tenofovir endogenous_depression SPECULATIVE 0.0838 0.0 flurazepam Speculative: Review tenofovir off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. tenofovir ulcerative_colitis SPECULATIVE 0.0838 0.0 loxapine Speculative: Review tenofovir off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. zidovudine azoospermia SPECULATIVE 0.0838 0.0 phenylbutazone Speculative: Review zidovudine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. chlorpromazine ocular_cancer GAP_HIGH 0.0837 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) metoclopramide migraine SPECULATIVE 0.0837 0.1111111111111111 chloroprocaine Speculative: Review metoclopramide off-target effects vs migraine mechanism. Phenotypic screen recommended. dydrogesterone chronic_kidney_failure SPECULATIVE 0.0837 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. menadione colon_cancer SPECULATIVE 0.0837 0.1 etonogestrel Speculative: Review menadione off-target effects vs colon_cancer mechanism. Phenotypic screen recommended. vandetanib crohns_disease SPECULATIVE 0.0837 0.1 sorafenib Speculative: Review vandetanib off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. ifenprodil kidney_cancer SPECULATIVE 0.0837 0.09523809523809523 proparacaine Speculative: Review ifenprodil off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. voacamine narcolepsy SPECULATIVE 0.0837 0.09090909090909091 aspartame Speculative: Review voacamine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. cabazitaxel gout SPECULATIVE 0.0837 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs gout mechanism. Phenotypic screen recommended. mazindol type_1_diabetes_mellitus SPECULATIVE 0.0837 0.07547169811320754 sulfapyridine Speculative: Review mazindol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. beclomethasone lymphatic_system_cancer SPECULATIVE 0.0837 0.07142857142857142 vinblastine Speculative: Review beclomethasone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. prednisone atherosclerosis SPECULATIVE 0.0837 0.06060606060606061 bezafibrate Speculative: Review prednisone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. entecavir metabolic_syndrome_x SPECULATIVE 0.0837 0.05555555555555555 lidocaine Speculative: Review entecavir off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. floxuridine autistic_disorder SPECULATIVE 0.0837 0.05263157894736842 l-arginine Speculative: Review floxuridine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. floxuridine nicotine_dependence SPECULATIVE 0.0837 0.05263157894736842 l-arginine Speculative: Review floxuridine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. vidarabine creutzfeldt-jakob_disease SPECULATIVE 0.0837 0.04 phenylephrine Speculative: Review vidarabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. adenosine_monophosphate narcolepsy SPECULATIVE 0.0837 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. loperamide gestational_diabetes SPECULATIVE 0.0837 0.02702702702702703 bezafibrate Speculative: Review loperamide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vinblastine acquired_immunodeficiency_syndrome SPECULATIVE 0.0837 0.01639344262295082 adenosine_monophosphate Speculative: Review vinblastine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. chlorthalidone larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review chlorthalidone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clotrimazole bone_cancer SPECULATIVE 0.0837 0.0 ibandronate Speculative: Review clotrimazole off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. diethylpropion larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review diethylpropion off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. l-phenylalanine larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review l-phenylalanine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. orciprenaline larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review orciprenaline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenformin larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review phenformin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pirenzepine gestational_diabetes SPECULATIVE 0.0837 0.0 tolazamide Speculative: Review pirenzepine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tenofovir migraine SPECULATIVE 0.0837 0.0 flurazepam Speculative: Review tenofovir off-target effects vs migraine mechanism. Phenotypic screen recommended. tenofovir ovarian_cancer SPECULATIVE 0.0837 0.0 flurazepam Speculative: Review tenofovir off-target effects vs ovarian_cancer mechanism. Phenotypic screen recommended. tenofovir psoriasis SPECULATIVE 0.0837 0.0 loxapine Speculative: Review tenofovir off-target effects vs psoriasis mechanism. Phenotypic screen recommended. terbutaline larynx_cancer SPECULATIVE 0.0837 0.0 vinblastine Speculative: Review terbutaline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxepin meningioma SPECULATIVE 0.0836 0.11538461538461539 methadone Speculative: Review doxepin off-target effects vs meningioma mechanism. Phenotypic screen recommended. prednisolone epilepsy_syndrome SPECULATIVE 0.0836 0.1 cyclopentolate Speculative: Review prednisolone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. ifenprodil nephrolithiasis SPECULATIVE 0.0836 0.09523809523809523 proparacaine Speculative: Review ifenprodil off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. gemcitabine coronary_artery_disease SPECULATIVE 0.0836 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. gemcitabine narcolepsy SPECULATIVE 0.0836 0.08333333333333333 l-arginine Speculative: Review gemcitabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. salicylic_acid meningioma SPECULATIVE 0.0836 0.08333333333333333 prednicarbate Speculative: Review salicylic_acid off-target effects vs meningioma mechanism. Phenotypic screen recommended. metoclopramide crohns_disease SPECULATIVE 0.0836 0.08064516129032258 sulfanilamide Speculative: Review metoclopramide off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. raloxifene gilles_de_la_tourette_syndrome SPECULATIVE 0.0836 0.07142857142857142 clotrimazole Speculative: Review raloxifene off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fluorometholone larynx_cancer SPECULATIVE 0.0836 0.058823529411764705 doxorubicin Speculative: Review fluorometholone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mitiglinide focal_segmental_glomerulosclerosis SPECULATIVE 0.0836 0.05263157894736842 fenoprofen Speculative: Review mitiglinide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. docetaxel head_and_neck_cancer SPECULATIVE 0.0836 0.05 fluoxymesterone Speculative: Review docetaxel off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. desipramine atherosclerosis SPECULATIVE 0.0836 0.047619047619047616 acetylsalicylic_acid Speculative: Review desipramine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alfacalcidol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0836 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. calcidiol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0836 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. calcipotriol idiopathic_pulmonary_fibrosis SPECULATIVE 0.0836 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. phenylbutazone membranous_glomerulonephritis GAP_HIGH 0.0835 0.16129032258064516 chlorpromazine High-priority: Binding assay phenylbutazone→?; validate in membranous_glomerulonephritis cell model. Expected: similar to chlorpromazine (Jaccard=0.16) pseudoephedrine lung_cancer GAP_HIGH 0.0835 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in lung_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) metoclopramide rheumatoid_arthritis SPECULATIVE 0.0835 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs rheumatoid_arthritis mechanism. Phenotypic screen recommended. exemestane gilles_de_la_tourette_syndrome SPECULATIVE 0.0835 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. mefenamic_acid muscle_cancer SPECULATIVE 0.0835 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. acetophenazine mediastinal_cancer SPECULATIVE 0.0835 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. azelastine peripheral_nervous_system_neoplasm SPECULATIVE 0.0835 0.1 phenylbutazone Speculative: Review azelastine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. olsalazine chronic_kidney_failure SPECULATIVE 0.0835 0.1 mefenamic_acid Speculative: Review olsalazine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. loxapine glaucoma SPECULATIVE 0.0835 0.08108108108108109 pseudoephedrine Speculative: Review loxapine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cabazitaxel coronary_artery_disease SPECULATIVE 0.0835 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. cabazitaxel hematologic_cancer SPECULATIVE 0.0835 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. fluocinonide malaria SPECULATIVE 0.0835 0.07692307692307693 talbutal Speculative: Review fluocinonide off-target effects vs malaria mechanism. Phenotypic screen recommended. lamivudine glaucoma SPECULATIVE 0.0835 0.06666666666666667 choline Speculative: Review lamivudine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. afatinib nicotine_dependence SPECULATIVE 0.0835 0.058823529411764705 naloxone Speculative: Review afatinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. gefitinib esophageal_cancer SPECULATIVE 0.0835 0.05357142857142857 lapatinib Speculative: Review gefitinib off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine obesity SPECULATIVE 0.0835 0.05357142857142857 sulpiride Speculative: Review s-adenosylmethionine off-target effects vs obesity mechanism. Phenotypic screen recommended. floxuridine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0835 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. vidarabine asthma SPECULATIVE 0.0835 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs asthma mechanism. Phenotypic screen recommended. vidarabine atopic_dermatitis SPECULATIVE 0.0835 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. floxuridine crohns_disease SPECULATIVE 0.0835 0.037037037037037035 sorafenib Speculative: Review floxuridine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. anileridine hepatitis_b SPECULATIVE 0.0835 0.0 mitiglinide Speculative: Review anileridine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. anisotropine_methylbromide hepatitis_b SPECULATIVE 0.0835 0.0 mitiglinide Speculative: Review anisotropine_methylbromide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. bepotastine hepatitis_b SPECULATIVE 0.0835 0.0 mitiglinide Speculative: Review bepotastine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. bromfenac alcohol_dependence SPECULATIVE 0.0835 0.0 midazolam Speculative: Review bromfenac off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. flunarizine hepatitis_b SPECULATIVE 0.0835 0.0 mitiglinide Speculative: Review flunarizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. triflupromazine alcohol_dependence SPECULATIVE 0.0835 0.0 midazolam Speculative: Review triflupromazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. mesalazine migraine GAP_HIGH 0.0834 0.1875 l-dopa High-priority: Binding assay mesalazine→?; validate in migraine cell model. Expected: similar to l-dopa (Jaccard=0.19) chlorpromazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0834 0.16129032258064516 phenylbutazone High-priority: Binding assay chlorpromazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.16) medrysone panic_disorder SPECULATIVE 0.0834 0.15 levorphanol Speculative: Review medrysone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. amitriptyline penile_cancer SPECULATIVE 0.0834 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. acetophenazine thymus_cancer SPECULATIVE 0.0834 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol narcolepsy SPECULATIVE 0.0834 0.09090909090909091 diethylstilbestrol Speculative: Review ethinyl_estradiol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. aminosalicylic_acid malaria SPECULATIVE 0.0834 0.08 sulfapyridine Speculative: Review aminosalicylic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. mazindol brain_cancer SPECULATIVE 0.0834 0.07692307692307693 alendronate Speculative: Review mazindol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mazindol intracranial_aneurysm SPECULATIVE 0.0834 0.07692307692307693 alendronate Speculative: Review mazindol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenacemide malaria SPECULATIVE 0.0834 0.07407407407407407 tranylcypromine Speculative: Review phenacemide off-target effects vs malaria mechanism. Phenotypic screen recommended. prednisone lymphatic_system_cancer SPECULATIVE 0.0834 0.058823529411764705 vinblastine Speculative: Review prednisone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vidarabine allergic_rhinitis SPECULATIVE 0.0834 0.047619047619047616 dipivefrin Speculative: Review vidarabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. carbidopa acquired_immunodeficiency_syndrome SPECULATIVE 0.0834 0.045454545454545456 mitiglinide Speculative: Review carbidopa off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. s-adenosylmethionine epilepsy_syndrome SPECULATIVE 0.0834 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. s-adenosylmethionine narcolepsy SPECULATIVE 0.0834 0.02857142857142857 meclizine Speculative: Review s-adenosylmethionine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. antazoline hepatitis_b SPECULATIVE 0.0834 0.025 adenosine_triphosphate Speculative: Review antazoline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alimemazine gestational_diabetes SPECULATIVE 0.0834 0.0 tolazamide Speculative: Review alimemazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. anisindione esophageal_cancer SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. betamethasone bone_cancer SPECULATIVE 0.0834 0.0 ibandronate Speculative: Review betamethasone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyproheptadine alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. deferasirox acquired_immunodeficiency_syndrome SPECULATIVE 0.0834 0.0 mitiglinide Speculative: Review deferasirox off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. disopyramide alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. isocarboxazid alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. meclizine gestational_diabetes SPECULATIVE 0.0834 0.0 tolazamide Speculative: Review meclizine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. methotrimeprazine gestational_diabetes SPECULATIVE 0.0834 0.0 tolazamide Speculative: Review methotrimeprazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. oxazepam alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review oxazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pentostatin alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenmetrazine alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenytoin bone_cancer SPECULATIVE 0.0834 0.0 ibandronate Speculative: Review phenytoin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. promethazine bone_cancer SPECULATIVE 0.0834 0.0 ibandronate Speculative: Review promethazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. promethazine gestational_diabetes SPECULATIVE 0.0834 0.0 tolazamide Speculative: Review promethazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. trifluoperazine gestational_diabetes SPECULATIVE 0.0834 0.0 tolazamide Speculative: Review trifluoperazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. vidarabine alopecia_areata SPECULATIVE 0.0834 0.0 hydrocortisone Speculative: Review vidarabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. medrysone conduct_disorder SPECULATIVE 0.0833 0.15 levorphanol Speculative: Review medrysone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. betamethasone azoospermia SPECULATIVE 0.0833 0.13043478260869565 ospemifene Speculative: Review betamethasone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. dydrogesterone panic_disorder SPECULATIVE 0.0833 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. mazindol pharynx_cancer SPECULATIVE 0.0833 0.12195121951219512 etoricoxib Speculative: Review mazindol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. metoclopramide psoriatic_arthritis SPECULATIVE 0.0833 0.1206896551724138 probenecid Speculative: Review metoclopramide off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. acetophenazine salivary_gland_cancer SPECULATIVE 0.0833 0.1111111111111111 isoprenaline Speculative: Review acetophenazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. metoclopramide metabolic_syndrome_x SPECULATIVE 0.0833 0.1111111111111111 chloroprocaine Speculative: Review metoclopramide off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. pargyline lung_cancer SPECULATIVE 0.0833 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. pargyline rectum_cancer SPECULATIVE 0.0833 0.10526315789473684 alimemazine Speculative: Review pargyline off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. dydrogesterone azoospermia SPECULATIVE 0.0833 0.10344827586206896 procaine Speculative: Review dydrogesterone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. paclitaxel osteoarthritis SPECULATIVE 0.0833 0.1 spironolactone Speculative: Review paclitaxel off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. bromfenac brain_cancer SPECULATIVE 0.0833 0.09523809523809523 flurandrenolide Speculative: Review bromfenac off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. norethindrone glaucoma SPECULATIVE 0.0833 0.07692307692307693 choline Speculative: Review norethindrone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cyclizine brain_cancer SPECULATIVE 0.0833 0.07142857142857142 alendronate Speculative: Review cyclizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cyclizine intracranial_aneurysm SPECULATIVE 0.0833 0.07142857142857142 alendronate Speculative: Review cyclizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. liothyronine alopecia_areata SPECULATIVE 0.0833 0.06666666666666667 spironolactone Speculative: Review liothyronine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. masoprocol brain_cancer SPECULATIVE 0.0833 0.0625 clodronate Speculative: Review masoprocol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. masoprocol intracranial_aneurysm SPECULATIVE 0.0833 0.0625 etidronic_acid Speculative: Review masoprocol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. prednisone malaria SPECULATIVE 0.0833 0.0625 talbutal Speculative: Review prednisone off-target effects vs malaria mechanism. Phenotypic screen recommended. salsalate lymphatic_system_cancer SPECULATIVE 0.0833 0.0625 streptozocin Speculative: Review salsalate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. entecavir obesity SPECULATIVE 0.0833 0.05555555555555555 lidocaine Speculative: Review entecavir off-target effects vs obesity mechanism. Phenotypic screen recommended. levonordefrin hepatitis_b SPECULATIVE 0.0833 0.038461538461538464 ribavirin Speculative: Review levonordefrin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vinblastine malaria SPECULATIVE 0.0833 0.037037037037037035 phenytoin Speculative: Review vinblastine off-target effects vs malaria mechanism. Phenotypic screen recommended. toremifene gestational_diabetes SPECULATIVE 0.0833 0.029411764705882353 bezafibrate Speculative: Review toremifene off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. procainamide hepatitis_b SPECULATIVE 0.0833 0.019417475728155338 s-adenosylmethionine Speculative: Review procainamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alendronate dilated_cardiomyopathy SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review alendronate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. alfacalcidol gout SPECULATIVE 0.0833 0.0 methdilazine Speculative: Review alfacalcidol off-target effects vs gout mechanism. Phenotypic screen recommended. calcidiol gout SPECULATIVE 0.0833 0.0 methdilazine Speculative: Review calcidiol off-target effects vs gout mechanism. Phenotypic screen recommended. calcipotriol gout SPECULATIVE 0.0833 0.0 methdilazine Speculative: Review calcipotriol off-target effects vs gout mechanism. Phenotypic screen recommended. estazolam germ_cell_cancer SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review estazolam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. etidronic_acid dilated_cardiomyopathy SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review etidronic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pamidronate dilated_cardiomyopathy SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review pamidronate off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pimozide germ_cell_cancer SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. pirbuterol germ_cell_cancer SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review pirbuterol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. practolol head_and_neck_cancer SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review practolol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. practolol malignant_glioma SPECULATIVE 0.0833 0.0 hydrocortisone Speculative: Review practolol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. medrysone bipolar_disorder SPECULATIVE 0.0832 0.15 levorphanol Speculative: Review medrysone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. dydrogesterone conduct_disorder SPECULATIVE 0.0832 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. bromfenac head_and_neck_cancer SPECULATIVE 0.0832 0.1 procarbazine Speculative: Review bromfenac off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bromfenac malignant_glioma SPECULATIVE 0.0832 0.1 procarbazine Speculative: Review bromfenac off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlordiazepoxide meningioma SPECULATIVE 0.0832 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs meningioma mechanism. Phenotypic screen recommended. megestrol_acetate membranous_glomerulonephritis SPECULATIVE 0.0832 0.08333333333333333 calcitriol Speculative: Review megestrol_acetate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. temazepam refractive_error SPECULATIVE 0.0832 0.07692307692307693 metaraminol Speculative: Review temazepam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. l-histidine membranous_glomerulonephritis SPECULATIVE 0.0832 0.07142857142857142 mitiglinide Speculative: Review l-histidine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. modafinil acquired_immunodeficiency_syndrome SPECULATIVE 0.0832 0.07142857142857142 alvimopan Speculative: Review modafinil off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenosine_monophosphate type_2_diabetes_mellitus SPECULATIVE 0.0832 0.06666666666666667 gemcitabine Speculative: Review adenosine_monophosphate off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. clodronate coronary_artery_disease SPECULATIVE 0.0832 0.06666666666666667 nateglinide Speculative: Review clodronate off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. fluticasone_propionate atherosclerosis SPECULATIVE 0.0832 0.06666666666666667 floctafenine Speculative: Review fluticasone_propionate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. floxuridine asthma SPECULATIVE 0.0832 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs asthma mechanism. Phenotypic screen recommended. floxuridine conduct_disorder SPECULATIVE 0.0832 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. floxuridine panic_disorder SPECULATIVE 0.0832 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. floxuridine schizophrenia SPECULATIVE 0.0832 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. phensuximide glaucoma SPECULATIVE 0.0832 0.05263157894736842 pseudoephedrine Speculative: Review phensuximide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. vidarabine alzheimers_disease SPECULATIVE 0.0832 0.043478260869565216 orciprenaline Speculative: Review vidarabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. vidarabine parkinsons_disease SPECULATIVE 0.0832 0.043478260869565216 orciprenaline Speculative: Review vidarabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. lamivudine atherosclerosis SPECULATIVE 0.0832 0.03571428571428571 acetylsalicylic_acid Speculative: Review lamivudine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. alverine hepatitis_b SPECULATIVE 0.0832 0.024390243902439025 adenosine_triphosphate Speculative: Review alverine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. warfarin alcohol_dependence SPECULATIVE 0.0832 0.02127659574468085 mazindol Speculative: Review warfarin off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. oxaprozin acquired_immunodeficiency_syndrome SPECULATIVE 0.0832 0.014492753623188406 adenosine_monophosphate Speculative: Review oxaprozin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. adenosine creutzfeldt-jakob_disease SPECULATIVE 0.0832 0.0 loxapine Speculative: Review adenosine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. cyproterone_acetate lymphatic_system_cancer SPECULATIVE 0.0832 0.0 vinblastine Speculative: Review cyproterone_acetate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. goserelin malaria SPECULATIVE 0.0832 0.0 ethotoin Speculative: Review goserelin off-target effects vs malaria mechanism. Phenotypic screen recommended. lapatinib malaria SPECULATIVE 0.0832 0.0 ethotoin Speculative: Review lapatinib off-target effects vs malaria mechanism. Phenotypic screen recommended. midazolam lymphatic_system_cancer SPECULATIVE 0.0832 0.0 vinblastine Speculative: Review midazolam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vitamin_a alzheimers_disease SPECULATIVE 0.0832 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. vitamin_a autistic_disorder SPECULATIVE 0.0832 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. vitamin_a parkinsons_disease SPECULATIVE 0.0832 0.0 cinolazepam Speculative: Review vitamin_a off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. medrysone endogenous_depression SPECULATIVE 0.0831 0.15 levorphanol Speculative: Review medrysone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. dydrogesterone bipolar_disorder SPECULATIVE 0.0831 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. chlorcyclizine glaucoma SPECULATIVE 0.0831 0.125 bevantolol Speculative: Review chlorcyclizine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. mazindol salivary_gland_cancer SPECULATIVE 0.0831 0.125 quinethazone Speculative: Review mazindol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. carbinoxamine penile_cancer SPECULATIVE 0.0831 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salsalate head_and_neck_cancer SPECULATIVE 0.0831 0.10526315789473684 procarbazine Speculative: Review salsalate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. salsalate malignant_glioma SPECULATIVE 0.0831 0.10526315789473684 procarbazine Speculative: Review salsalate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methotrimeprazine type_1_diabetes_mellitus SPECULATIVE 0.0831 0.1 cyclandelate Speculative: Review methotrimeprazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. vandetanib gout SPECULATIVE 0.0831 0.1 sorafenib Speculative: Review vandetanib off-target effects vs gout mechanism. Phenotypic screen recommended. trimipramine lymphatic_system_cancer SPECULATIVE 0.0831 0.08695652173913043 voacamine Speculative: Review trimipramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ifenprodil esophageal_cancer SPECULATIVE 0.0831 0.08333333333333333 toremifene Speculative: Review ifenprodil off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. metoclopramide hematologic_cancer SPECULATIVE 0.0831 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. metoclopramide narcolepsy SPECULATIVE 0.0831 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. salicylate-sodium larynx_cancer SPECULATIVE 0.0831 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cortisone_acetate focal_segmental_glomerulosclerosis SPECULATIVE 0.0831 0.07692307692307693 calcitriol Speculative: Review cortisone_acetate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. acetylsalicylic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0831 0.0625 trimipramine Speculative: Review acetylsalicylic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. midazolam primary_biliary_cirrhosis SPECULATIVE 0.0831 0.0625 sulfaphenazole Speculative: Review midazolam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. flurandrenolide larynx_cancer SPECULATIVE 0.0831 0.05555555555555555 doxorubicin Speculative: Review flurandrenolide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tiaprofenic_acid lymphatic_system_cancer SPECULATIVE 0.0831 0.05555555555555555 vindesine Speculative: Review tiaprofenic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. floxuridine allergic_rhinitis SPECULATIVE 0.0831 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. phensuximide type_1_diabetes_mellitus SPECULATIVE 0.0831 0.05 methylphenidate Speculative: Review phensuximide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. vidarabine amyotrophic_lateral_sclerosis SPECULATIVE 0.0831 0.043478260869565216 orciprenaline Speculative: Review vidarabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. l-serine lymphatic_system_cancer SPECULATIVE 0.0831 0.017391304347826087 adenosine_monophosphate Speculative: Review l-serine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. acenocoumarol brain_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. acenocoumarol intracranial_aneurysm SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alfacalcidol hematologic_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review alfacalcidol off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. calcidiol hematologic_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review calcidiol off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. calcipotriol hematologic_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review calcipotriol off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. ceruletide narcolepsy SPECULATIVE 0.0831 0.0 phenylbutazone Speculative: Review ceruletide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. mepyramine brain_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review mepyramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. practolol nephrolithiasis SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review practolol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. tripelennamine brain_cancer SPECULATIVE 0.0831 0.0 hydrocortisone Speculative: Review tripelennamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vitamin_a amyotrophic_lateral_sclerosis SPECULATIVE 0.0831 0.0 cinolazepam Speculative: Review vitamin_a off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. dydrogesterone endogenous_depression SPECULATIVE 0.083 0.13043478260869565 levorphanol Speculative: Review dydrogesterone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. diphenhydramine glaucoma SPECULATIVE 0.083 0.125 bevantolol Speculative: Review diphenhydramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clomipramine celiac_disease SPECULATIVE 0.083 0.12195121951219512 chlorcyclizine Speculative: Review clomipramine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. ethopropazine larynx_cancer SPECULATIVE 0.083 0.1111111111111111 epirubicin Speculative: Review ethopropazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mefenamic_acid urinary_bladder_cancer SPECULATIVE 0.083 0.10526315789473684 clocortolone Speculative: Review mefenamic_acid off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. atomoxetine brain_cancer SPECULATIVE 0.083 0.08333333333333333 epirubicin Speculative: Review atomoxetine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. atomoxetine intracranial_aneurysm SPECULATIVE 0.083 0.08333333333333333 epirubicin Speculative: Review atomoxetine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. bezafibrate esophageal_cancer SPECULATIVE 0.083 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. exemestane malaria SPECULATIVE 0.083 0.07692307692307693 talbutal Speculative: Review exemestane off-target effects vs malaria mechanism. Phenotypic screen recommended. fluocinonide lymphatic_system_cancer SPECULATIVE 0.083 0.07142857142857142 vinblastine Speculative: Review fluocinonide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. isoprenaline brain_cancer SPECULATIVE 0.083 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. isoprenaline intracranial_aneurysm SPECULATIVE 0.083 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. lamivudine alopecia_areata SPECULATIVE 0.083 0.05555555555555555 dexamethasone Speculative: Review lamivudine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. levonordefrin brain_cancer SPECULATIVE 0.083 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. levonordefrin intracranial_aneurysm SPECULATIVE 0.083 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. propranolol atherosclerosis SPECULATIVE 0.083 0.05555555555555555 floctafenine Speculative: Review propranolol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. floxuridine bipolar_disorder SPECULATIVE 0.083 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. floxuridine endogenous_depression SPECULATIVE 0.083 0.05263157894736842 menadione Speculative: Review floxuridine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. s-adenosylmethionine asthma SPECULATIVE 0.083 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs asthma mechanism. Phenotypic screen recommended. s-adenosylmethionine panic_disorder SPECULATIVE 0.083 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. bevantolol head_and_neck_cancer SPECULATIVE 0.083 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bevantolol kidney_cancer SPECULATIVE 0.083 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. bevantolol malignant_glioma SPECULATIVE 0.083 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vidarabine epilepsy_syndrome SPECULATIVE 0.083 0.04 isoprenaline Speculative: Review vidarabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. norethindrone atherosclerosis SPECULATIVE 0.083 0.038461538461538464 acetylsalicylic_acid Speculative: Review norethindrone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. l-dopa bone_cancer SPECULATIVE 0.083 0.0 ibandronate Speculative: Review l-dopa off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-dopa gestational_diabetes SPECULATIVE 0.083 0.0 tolazamide Speculative: Review l-dopa off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. perphenazine gestational_diabetes SPECULATIVE 0.083 0.0 tolazamide Speculative: Review perphenazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pipotiazine gestational_diabetes SPECULATIVE 0.083 0.0 tolazamide Speculative: Review pipotiazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. clomipramine pharynx_cancer GAP_HIGH 0.0829 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in pharynx_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) methdilazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0829 0.13636363636363635 ephedrine Speculative: Review methdilazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. toremifene alopecia_areata SPECULATIVE 0.0829 0.13043478260869565 levorphanol Speculative: Review toremifene off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fluocinonide membranous_glomerulonephritis SPECULATIVE 0.0829 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. zuclopenthixol germ_cell_cancer SPECULATIVE 0.0829 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. metoclopramide obesity SPECULATIVE 0.0829 0.1111111111111111 chloroprocaine Speculative: Review metoclopramide off-target effects vs obesity mechanism. Phenotypic screen recommended. l-dopa chronic_kidney_failure SPECULATIVE 0.0829 0.1 fenoprofen Speculative: Review l-dopa off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. dexamethasone chronic_kidney_failure SPECULATIVE 0.0829 0.09090909090909091 acetylsalicylic_acid Speculative: Review dexamethasone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. prednisone gilles_de_la_tourette_syndrome SPECULATIVE 0.0829 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. alimemazine larynx_cancer SPECULATIVE 0.0829 0.08333333333333333 vinblastine Speculative: Review alimemazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. hydrocortisone atherosclerosis SPECULATIVE 0.0829 0.08108108108108109 bezafibrate Speculative: Review hydrocortisone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. trifluoperazine atherosclerosis SPECULATIVE 0.0829 0.07142857142857142 aminosalicylic_acid Speculative: Review trifluoperazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. sulfaphenazole urinary_bladder_cancer SPECULATIVE 0.0829 0.058823529411764705 procarbazine Speculative: Review sulfaphenazole off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. vidarabine hypertension SPECULATIVE 0.0829 0.045454545454545456 pirbuterol Speculative: Review vidarabine off-target effects vs hypertension mechanism. Phenotypic screen recommended. s-adenosylmethionine allergic_rhinitis SPECULATIVE 0.0829 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. s-adenosylmethionine hypertension SPECULATIVE 0.0829 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs hypertension mechanism. Phenotypic screen recommended. bevantolol nephrolithiasis SPECULATIVE 0.0829 0.041666666666666664 epirubicin Speculative: Review bevantolol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. aceprometazine dilated_cardiomyopathy SPECULATIVE 0.0829 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. brompheniramine dilated_cardiomyopathy SPECULATIVE 0.0829 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vitamin_a attention_deficit_hyperactivity_disorder SPECULATIVE 0.0829 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. pipotiazine primary_biliary_cirrhosis GAP_HIGH 0.0828 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in primary_biliary_cirrhosis cell model. Expected: similar to tioguanine (Jaccard=0.15) fenoprofen hepatitis_b SPECULATIVE 0.0828 0.12195121951219512 nateglinide Speculative: Review fenoprofen off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. oxaprozin sclerosing_cholangitis SPECULATIVE 0.0828 0.12121212121212122 chlorcyclizine Speculative: Review oxaprozin off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. lamivudine psoriasis SPECULATIVE 0.0828 0.10526315789473684 tetrahydrofolic_acid Speculative: Review lamivudine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. bezafibrate membranous_glomerulonephritis SPECULATIVE 0.0828 0.10344827586206896 mefenamic_acid Speculative: Review bezafibrate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. pargyline melanoma SPECULATIVE 0.0828 0.09523809523809523 melphalan Speculative: Review pargyline off-target effects vs melanoma mechanism. Phenotypic screen recommended. pirenzepine esophageal_cancer SPECULATIVE 0.0828 0.08695652173913043 toremifene Speculative: Review pirenzepine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. beclomethasone larynx_cancer SPECULATIVE 0.0828 0.08333333333333333 pantoprazole Speculative: Review beclomethasone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bezafibrate gilles_de_la_tourette_syndrome SPECULATIVE 0.0828 0.08333333333333333 alvimopan Speculative: Review bezafibrate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine alopecia_areata SPECULATIVE 0.0828 0.08 dexamethasone Speculative: Review pseudoephedrine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. procainamide hematologic_cancer SPECULATIVE 0.0828 0.07894736842105263 ponatinib Speculative: Review procainamide off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. isopropamide larynx_cancer SPECULATIVE 0.0828 0.07692307692307693 epirubicin Speculative: Review isopropamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. l-histidine azoospermia SPECULATIVE 0.0828 0.06896551724137931 phentermine Speculative: Review l-histidine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. menadione type_1_diabetes_mellitus SPECULATIVE 0.0828 0.05 droxidopa Speculative: Review menadione off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. droxidopa acquired_immunodeficiency_syndrome SPECULATIVE 0.0828 0.047619047619047616 lisinopril Speculative: Review droxidopa off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clofedanol dilated_cardiomyopathy SPECULATIVE 0.0828 0.045454545454545456 hydrocortisone Speculative: Review clofedanol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. adenosine_monophosphate chronic_obstructive_pulmonary_disease SPECULATIVE 0.0828 0.04477611940298507 zafirlukast Speculative: Review adenosine_monophosphate off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. atomoxetine lymphatic_system_cancer SPECULATIVE 0.0828 0.041666666666666664 riboflavin Speculative: Review atomoxetine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine alzheimers_disease SPECULATIVE 0.0828 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. s-adenosylmethionine parkinsons_disease SPECULATIVE 0.0828 0.0392156862745098 cyproheptadine Speculative: Review s-adenosylmethionine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. l-serine hepatitis_b SPECULATIVE 0.0828 0.03125 mitiglinide Speculative: Review l-serine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. amoxapine primary_biliary_cirrhosis SPECULATIVE 0.0828 0.029411764705882353 toremifene Speculative: Review amoxapine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. modafinil gestational_diabetes SPECULATIVE 0.0828 0.022222222222222223 bezafibrate Speculative: Review modafinil off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. gefitinib malaria SPECULATIVE 0.0828 0.012658227848101266 modafinil Speculative: Review gefitinib off-target effects vs malaria mechanism. Phenotypic screen recommended. alcaftadine larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review alcaftadine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. anileridine larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review anileridine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review anisotropine_methylbromide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bepotastine larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review bepotastine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide acquired_immunodeficiency_syndrome SPECULATIVE 0.0828 0.0 mitiglinide Speculative: Review chlordiazepoxide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. flunarizine larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review flunarizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. oxybuprocaine larynx_cancer SPECULATIVE 0.0828 0.0 vinblastine Speculative: Review oxybuprocaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. prednisolone acquired_immunodeficiency_syndrome SPECULATIVE 0.0828 0.0 mitiglinide Speculative: Review prednisolone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methotrimeprazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0827 0.12903225806451613 diphenhydramine Speculative: Review methotrimeprazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. dexamethasone epilepsy_syndrome SPECULATIVE 0.0827 0.125 bifonazole Speculative: Review dexamethasone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine penile_cancer SPECULATIVE 0.0827 0.11764705882352941 procaine Speculative: Review pseudoephedrine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. methotrexate chronic_obstructive_pulmonary_disease SPECULATIVE 0.0827 0.1 epinephrine Speculative: Review methotrexate off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. dimetacrine atherosclerosis SPECULATIVE 0.0827 0.08 warfarin Speculative: Review dimetacrine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vindesine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0827 0.07142857142857142 fluticasone_propionate Speculative: Review vindesine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. aceprometazine refractive_error SPECULATIVE 0.0827 0.06666666666666667 sotalol Speculative: Review aceprometazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenelzine type_1_diabetes_mellitus SPECULATIVE 0.0827 0.0625 methylphenidate Speculative: Review phenelzine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. podofilox celiac_disease SPECULATIVE 0.0827 0.05 acetylsalicylic_acid Speculative: Review podofilox off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. masoprocol alopecia_areata SPECULATIVE 0.0827 0.047619047619047616 estrone Speculative: Review masoprocol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. methyldopa acquired_immunodeficiency_syndrome SPECULATIVE 0.0827 0.047619047619047616 mitiglinide Speculative: Review methyldopa off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. s-adenosylmethionine amyotrophic_lateral_sclerosis SPECULATIVE 0.0827 0.0392156862745098 cyproheptadine Speculative: Review s-adenosylmethionine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. s-adenosylmethionine autistic_disorder SPECULATIVE 0.0827 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. s-adenosylmethionine nicotine_dependence SPECULATIVE 0.0827 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. fentanyl dilated_cardiomyopathy SPECULATIVE 0.0827 0.038461538461538464 trandolapril Speculative: Review fentanyl off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. acepromazine alcohol_dependence SPECULATIVE 0.0827 0.0 midazolam Speculative: Review acepromazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. anisindione type_1_diabetes_mellitus SPECULATIVE 0.0827 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cinolazepam hepatitis_b SPECULATIVE 0.0827 0.0 mitiglinide Speculative: Review cinolazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diazepam hepatitis_b SPECULATIVE 0.0827 0.0 mitiglinide Speculative: Review diazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. estrone bone_cancer SPECULATIVE 0.0827 0.0 ibandronate Speculative: Review estrone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. estrone gestational_diabetes SPECULATIVE 0.0827 0.0 tolazamide Speculative: Review estrone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pheniramine gestational_diabetes SPECULATIVE 0.0827 0.0 tolazamide Speculative: Review pheniramine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. propericiazine gestational_diabetes SPECULATIVE 0.0827 0.0 tolazamide Speculative: Review propericiazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. pseudoephedrine pancreatic_cancer GAP_HIGH 0.0826 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in pancreatic_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) methyldopa chronic_kidney_failure SPECULATIVE 0.0826 0.11538461538461539 salsalate Speculative: Review methyldopa off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. amitriptyline meningioma SPECULATIVE 0.0826 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs meningioma mechanism. Phenotypic screen recommended. propericiazine brain_cancer SPECULATIVE 0.0826 0.1 levorphanol Speculative: Review propericiazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bromfenac esophageal_cancer SPECULATIVE 0.0826 0.08333333333333333 melphalan Speculative: Review bromfenac off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methylprednisolone narcolepsy SPECULATIVE 0.0826 0.07692307692307693 salicylic_acid Speculative: Review methylprednisolone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. pargyline brain_cancer SPECULATIVE 0.0826 0.0625 epirubicin Speculative: Review pargyline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pargyline intracranial_aneurysm SPECULATIVE 0.0826 0.0625 epirubicin Speculative: Review pargyline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. sulfadiazine thyroid_cancer SPECULATIVE 0.0826 0.05405405405405406 l-tyrosine Speculative: Review sulfadiazine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. azelastine brain_cancer SPECULATIVE 0.0826 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. azelastine intracranial_aneurysm SPECULATIVE 0.0826 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. melphalan lymphatic_system_cancer SPECULATIVE 0.0826 0.045454545454545456 lamivudine Speculative: Review melphalan off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine migraine SPECULATIVE 0.0826 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs migraine mechanism. Phenotypic screen recommended. crizotinib alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review crizotinib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-phenylalanine alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. orciprenaline alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenformin alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. telbivudine alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. terbutaline alopecia_areata SPECULATIVE 0.0826 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vitamin_a atopic_dermatitis SPECULATIVE 0.0826 0.0 cinolazepam Speculative: Review vitamin_a off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. trimipramine pharynx_cancer GAP_HIGH 0.0825 0.17647058823529413 diphenylpyraline High-priority: Binding assay trimipramine→?; validate in pharynx_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) fenoprofen nephrolithiasis GAP_HIGH 0.0825 0.15789473684210525 polythiazide High-priority: Binding assay fenoprofen→?; validate in nephrolithiasis cell model. Expected: similar to polythiazide (Jaccard=0.16) mazindol peripheral_nervous_system_neoplasm SPECULATIVE 0.0825 0.125 quinethazone Speculative: Review mazindol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. methotrimeprazine kidney_cancer SPECULATIVE 0.0825 0.10526315789473684 proparacaine Speculative: Review methotrimeprazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. liothyronine prostate_cancer SPECULATIVE 0.0825 0.1 estriol Speculative: Review liothyronine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. menadione alzheimers_disease SPECULATIVE 0.0825 0.09090909090909091 orciprenaline Speculative: Review menadione off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. menadione parkinsons_disease SPECULATIVE 0.0825 0.09090909090909091 orciprenaline Speculative: Review menadione off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. mazindol head_and_neck_cancer SPECULATIVE 0.0825 0.07692307692307693 alendronate Speculative: Review mazindol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. mazindol malignant_glioma SPECULATIVE 0.0825 0.07692307692307693 alendronate Speculative: Review mazindol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylate-sodium hepatitis_b SPECULATIVE 0.0825 0.07692307692307693 trandolapril Speculative: Review salicylate-sodium off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cyclizine head_and_neck_cancer SPECULATIVE 0.0825 0.07142857142857142 alendronate Speculative: Review cyclizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cyclizine malignant_glioma SPECULATIVE 0.0825 0.07142857142857142 alendronate Speculative: Review cyclizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fosphenytoin celiac_disease SPECULATIVE 0.0825 0.06451612903225806 fentanyl Speculative: Review fosphenytoin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. masoprocol head_and_neck_cancer SPECULATIVE 0.0825 0.0625 clodronate Speculative: Review masoprocol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. masoprocol malignant_glioma SPECULATIVE 0.0825 0.0625 etidronic_acid Speculative: Review masoprocol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vinblastine glaucoma SPECULATIVE 0.0825 0.058823529411764705 masoprocol Speculative: Review vinblastine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. melphalan malaria SPECULATIVE 0.0825 0.047619047619047616 warfarin Speculative: Review melphalan off-target effects vs malaria mechanism. Phenotypic screen recommended. s-adenosylmethionine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0825 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. adenosine_monophosphate creutzfeldt-jakob_disease SPECULATIVE 0.0825 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. clofedanol gestational_diabetes SPECULATIVE 0.0825 0.02127659574468085 bezafibrate Speculative: Review clofedanol off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. procainamide larynx_cancer SPECULATIVE 0.0825 0.01818181818181818 vincristine Speculative: Review procainamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. adenosine epilepsy_syndrome SPECULATIVE 0.0825 0.0 flurazepam Speculative: Review adenosine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. clobazam lymphatic_system_cancer SPECULATIVE 0.0825 0.0 vinblastine Speculative: Review clobazam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cyproterone_acetate malaria SPECULATIVE 0.0825 0.0 ethotoin Speculative: Review cyproterone_acetate off-target effects vs malaria mechanism. Phenotypic screen recommended. mestranol lymphatic_system_cancer SPECULATIVE 0.0825 0.0 vinblastine Speculative: Review mestranol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phenmetrazine esophageal_cancer SPECULATIVE 0.0825 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. suprofen lymphatic_system_cancer SPECULATIVE 0.0825 0.0 vinblastine Speculative: Review suprofen off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. triflupromazine dilated_cardiomyopathy SPECULATIVE 0.0825 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vitamin_a allergic_rhinitis SPECULATIVE 0.0825 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. vitamin_a hypertension SPECULATIVE 0.0825 0.0 hydrocortisone Speculative: Review vitamin_a off-target effects vs hypertension mechanism. Phenotypic screen recommended. pseudoephedrine ovarian_cancer GAP_HIGH 0.0824 0.15217391304347827 fenoprofen High-priority: Binding assay pseudoephedrine→?; validate in ovarian_cancer cell model. Expected: similar to fenoprofen (Jaccard=0.15) bromfenac muscle_cancer SPECULATIVE 0.0824 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. bezafibrate salivary_gland_cancer SPECULATIVE 0.0824 0.13043478260869565 chlorphenesin Speculative: Review bezafibrate off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. methotrimeprazine nephrolithiasis SPECULATIVE 0.0824 0.10526315789473684 proparacaine Speculative: Review methotrimeprazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenylpropanolamine mediastinal_cancer SPECULATIVE 0.0824 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. diphenylpyraline atherosclerosis SPECULATIVE 0.0824 0.0967741935483871 warfarin Speculative: Review diphenylpyraline off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. l-dopa brain_cancer SPECULATIVE 0.0824 0.09090909090909091 mestranol Speculative: Review l-dopa off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. menadione amyotrophic_lateral_sclerosis SPECULATIVE 0.0824 0.09090909090909091 orciprenaline Speculative: Review menadione off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. menadione autistic_disorder SPECULATIVE 0.0824 0.09090909090909091 l-tryptophan Speculative: Review menadione off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. menadione nicotine_dependence SPECULATIVE 0.0824 0.09090909090909091 l-tryptophan Speculative: Review menadione off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. promethazine larynx_cancer SPECULATIVE 0.0824 0.09090909090909091 vinblastine Speculative: Review promethazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine head_and_neck_cancer SPECULATIVE 0.0824 0.07692307692307693 topotecan Speculative: Review phenylpropanolamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine malignant_glioma SPECULATIVE 0.0824 0.07692307692307693 topotecan Speculative: Review phenylpropanolamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. ethinyl_estradiol membranous_glomerulonephritis SPECULATIVE 0.0824 0.06896551724137931 toremifene Speculative: Review ethinyl_estradiol off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. azelastine refractive_error SPECULATIVE 0.0824 0.05 metaraminol Speculative: Review azelastine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. fludiazepam esophageal_cancer SPECULATIVE 0.0824 0.034482758620689655 toremifene Speculative: Review fludiazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. dimetindene glaucoma SPECULATIVE 0.0824 0.0 pirbuterol Speculative: Review dimetindene off-target effects vs glaucoma mechanism. Phenotypic screen recommended. folic_acid gestational_diabetes SPECULATIVE 0.0824 0.0 tolazamide Speculative: Review folic_acid off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tenofovir restless_legs_syndrome SPECULATIVE 0.0824 0.0 flurazepam Speculative: Review tenofovir off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. tetrahydrofolic_acid gestational_diabetes SPECULATIVE 0.0824 0.0 tolazamide Speculative: Review tetrahydrofolic_acid off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. thioproperazine gestational_diabetes SPECULATIVE 0.0824 0.0 tolazamide Speculative: Review thioproperazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. tiaprofenic_acid alcohol_dependence SPECULATIVE 0.0824 0.0 midazolam Speculative: Review tiaprofenic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. zuclopenthixol penile_cancer SPECULATIVE 0.0823 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. carbinoxamine meningioma SPECULATIVE 0.0823 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs meningioma mechanism. Phenotypic screen recommended. metoclopramide type_2_diabetes_mellitus SPECULATIVE 0.0823 0.1111111111111111 chloroprocaine Speculative: Review metoclopramide off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. naftifine refractive_error SPECULATIVE 0.0823 0.1111111111111111 propranolol Speculative: Review naftifine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. sorafenib epilepsy_syndrome SPECULATIVE 0.0823 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. phenylpropanolamine thymus_cancer SPECULATIVE 0.0823 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. vinblastine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0823 0.09090909090909091 fluticasone_propionate Speculative: Review vinblastine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. zuclopenthixol alopecia_areata SPECULATIVE 0.0823 0.08333333333333333 levorphanol Speculative: Review zuclopenthixol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fluorometholone azoospermia SPECULATIVE 0.0823 0.07692307692307693 aprindine Speculative: Review fluorometholone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. salicylic_acid penile_cancer SPECULATIVE 0.0823 0.07142857142857142 spironolactone Speculative: Review salicylic_acid off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. procainamide crohns_disease SPECULATIVE 0.0823 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. perphenazine atherosclerosis SPECULATIVE 0.0823 0.0625 aminosalicylic_acid Speculative: Review perphenazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pirenzepine atherosclerosis SPECULATIVE 0.0823 0.05555555555555555 phentermine Speculative: Review pirenzepine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. isoprenaline hepatitis_b SPECULATIVE 0.0823 0.045454545454545456 ribavirin Speculative: Review isoprenaline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vidarabine metabolic_syndrome_x SPECULATIVE 0.0823 0.045454545454545456 pirbuterol Speculative: Review vidarabine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. bezafibrate lymphatic_system_cancer SPECULATIVE 0.0823 0.04411764705882353 s-adenosylmethionine Speculative: Review bezafibrate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. benzatropine lymphatic_system_cancer SPECULATIVE 0.0823 0.043478260869565216 riboflavin Speculative: Review benzatropine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cabazitaxel acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review cabazitaxel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clozapine acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review clozapine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methylprednisolone acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review methylprednisolone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. paclitaxel acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review paclitaxel off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prochlorperazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review prochlorperazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. temazepam acquired_immunodeficiency_syndrome SPECULATIVE 0.0823 0.0 mitiglinide Speculative: Review temazepam off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clomipramine salivary_gland_cancer GAP_HIGH 0.0822 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in salivary_gland_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) diphenhydramine brain_cancer SPECULATIVE 0.0822 0.12121212121212122 levorphanol Speculative: Review diphenhydramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. spironolactone glaucoma SPECULATIVE 0.0822 0.1 dinoprost_tromethamine Speculative: Review spironolactone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. docetaxel migraine SPECULATIVE 0.0822 0.08333333333333333 spironolactone Speculative: Review docetaxel off-target effects vs migraine mechanism. Phenotypic screen recommended. phenylpropanolamine nephrolithiasis SPECULATIVE 0.0822 0.07692307692307693 benzocaine Speculative: Review phenylpropanolamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. vandetanib germ_cell_cancer SPECULATIVE 0.0822 0.07692307692307693 docetaxel Speculative: Review vandetanib off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. isoprenaline malignant_glioma SPECULATIVE 0.0822 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lamivudine refractive_error SPECULATIVE 0.0822 0.06666666666666667 choline Speculative: Review lamivudine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. melphalan gilles_de_la_tourette_syndrome SPECULATIVE 0.0822 0.06666666666666667 alvimopan Speculative: Review melphalan off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. olsalazine larynx_cancer SPECULATIVE 0.0822 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. paclitaxel head_and_neck_cancer SPECULATIVE 0.0822 0.05555555555555555 fluoxymesterone Speculative: Review paclitaxel off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. vinblastine gilles_de_la_tourette_syndrome SPECULATIVE 0.0822 0.05555555555555555 ethopropazine Speculative: Review vinblastine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. entecavir migraine SPECULATIVE 0.0822 0.05 chloroprocaine Speculative: Review entecavir off-target effects vs migraine mechanism. Phenotypic screen recommended. s-adenosylmethionine conduct_disorder SPECULATIVE 0.0822 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. phenelzine lymphatic_system_cancer SPECULATIVE 0.0822 0.02702702702702703 glucosamine Speculative: Review phenelzine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. acenocoumarol head_and_neck_cancer SPECULATIVE 0.0822 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. acenocoumarol malignant_glioma SPECULATIVE 0.0822 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vitamin_a migraine SPECULATIVE 0.0822 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs migraine mechanism. Phenotypic screen recommended. bezafibrate ocular_cancer SPECULATIVE 0.0821 0.13043478260869565 chlorphenesin Speculative: Review bezafibrate off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. rimexolone chronic_kidney_failure SPECULATIVE 0.0821 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. olsalazine membranous_glomerulonephritis SPECULATIVE 0.0821 0.1 mefenamic_acid Speculative: Review olsalazine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. bromfenac kidney_cancer SPECULATIVE 0.0821 0.09375 sulfapyridine Speculative: Review bromfenac off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. isoprenaline kidney_cancer SPECULATIVE 0.0821 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. estrone atherosclerosis SPECULATIVE 0.0821 0.06666666666666667 mesalazine Speculative: Review estrone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. norethindrone focal_segmental_glomerulosclerosis SPECULATIVE 0.0821 0.06666666666666667 calcitriol Speculative: Review norethindrone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. zuclopenthixol malaria SPECULATIVE 0.0821 0.058823529411764705 phensuximide Speculative: Review zuclopenthixol off-target effects vs malaria mechanism. Phenotypic screen recommended. levonordefrin malignant_glioma SPECULATIVE 0.0821 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. flurbiprofen brain_cancer SPECULATIVE 0.0821 0.05405405405405406 levorphanol Speculative: Review flurbiprofen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vidarabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0821 0.04 isoprenaline Speculative: Review vidarabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. adenosine_monophosphate ankylosing_spondylitis SPECULATIVE 0.0821 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. acetophenazine malaria SPECULATIVE 0.0821 0.037037037037037035 modafinil Speculative: Review acetophenazine off-target effects vs malaria mechanism. Phenotypic screen recommended. metoclopramide type_1_diabetes_mellitus SPECULATIVE 0.0821 0.034482758620689655 methylphenidate Speculative: Review metoclopramide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. afatinib membranous_glomerulonephritis SPECULATIVE 0.0821 0.023255813953488372 adenosine_triphosphate Speculative: Review afatinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. acenocoumarol nephrolithiasis SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. acenocoumarol refractive_error SPECULATIVE 0.0821 0.0 pirbuterol Speculative: Review acenocoumarol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. anisindione brain_cancer SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. anisindione intracranial_aneurysm SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diclofenamide primary_biliary_cirrhosis SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. dimetindene brain_cancer SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. dimetindene intracranial_aneurysm SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. methyclothiazide brain_cancer SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methyclothiazide intracranial_aneurysm SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. naftifine bone_cancer SPECULATIVE 0.0821 0.0 ibandronate Speculative: Review naftifine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. orphenadrine brain_cancer SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. orphenadrine intracranial_aneurysm SPECULATIVE 0.0821 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pentostatin focal_segmental_glomerulosclerosis SPECULATIVE 0.0821 0.0 methdilazine Speculative: Review pentostatin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. vidarabine focal_segmental_glomerulosclerosis SPECULATIVE 0.0821 0.0 methdilazine Speculative: Review vidarabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. warfarin bone_cancer SPECULATIVE 0.0821 0.0 ibandronate Speculative: Review warfarin off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. clomipramine ocular_cancer GAP_HIGH 0.082 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in ocular_cancer cell model. Expected: similar to phenylbutazone (Jaccard=0.16) bromfenac urinary_bladder_cancer SPECULATIVE 0.082 0.13636363636363635 diphemanil_methylsulfate Speculative: Review bromfenac off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. dexamethasone alzheimers_disease SPECULATIVE 0.082 0.125 bifonazole Speculative: Review dexamethasone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. bezafibrate hematologic_cancer SPECULATIVE 0.082 0.11538461538461539 lisinopril Speculative: Review bezafibrate off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. fluocinonide larynx_cancer SPECULATIVE 0.082 0.08333333333333333 pantoprazole Speculative: Review fluocinonide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. moricizine intracranial_aneurysm SPECULATIVE 0.082 0.07692307692307693 epirubicin Speculative: Review moricizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. norethindrone refractive_error SPECULATIVE 0.082 0.07692307692307693 choline Speculative: Review norethindrone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. isoprenaline nephrolithiasis SPECULATIVE 0.082 0.07142857142857142 estrone Speculative: Review isoprenaline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clodronate creutzfeldt-jakob_disease SPECULATIVE 0.082 0.06666666666666667 nateglinide Speculative: Review clodronate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. lamivudine celiac_disease SPECULATIVE 0.082 0.06666666666666667 tioguanine Speculative: Review lamivudine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. testosterone_propionate atherosclerosis SPECULATIVE 0.082 0.06521739130434782 fenoprofen Speculative: Review testosterone_propionate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. l-histidine chronic_kidney_failure SPECULATIVE 0.082 0.06060606060606061 tiaprofenic_acid Speculative: Review l-histidine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. levonordefrin kidney_cancer SPECULATIVE 0.082 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. vandetanib type_1_diabetes_mellitus SPECULATIVE 0.082 0.05 gliclazide Speculative: Review vandetanib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. s-adenosylmethionine bipolar_disorder SPECULATIVE 0.082 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. cinolazepam larynx_cancer SPECULATIVE 0.082 0.0 vinblastine Speculative: Review cinolazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tranylcypromine larynx_cancer SPECULATIVE 0.082 0.0 vinblastine Speculative: Review tranylcypromine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. trimipramine salivary_gland_cancer GAP_HIGH 0.0819 0.17647058823529413 diphenylpyraline High-priority: Binding assay trimipramine→?; validate in salivary_gland_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) exemestane schizophrenia SPECULATIVE 0.0819 0.14285714285714285 dienestrol Speculative: Review exemestane off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. salsalate penile_cancer SPECULATIVE 0.0819 0.11428571428571428 modafinil Speculative: Review salsalate off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. moricizine germ_cell_cancer SPECULATIVE 0.0819 0.09090909090909091 topotecan Speculative: Review moricizine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. gemcitabine ankylosing_spondylitis SPECULATIVE 0.0819 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. metoclopramide creutzfeldt-jakob_disease SPECULATIVE 0.0819 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. cabazitaxel ankylosing_spondylitis SPECULATIVE 0.0819 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. levonordefrin nephrolithiasis SPECULATIVE 0.0819 0.05555555555555555 estrone Speculative: Review levonordefrin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. vidarabine obesity SPECULATIVE 0.0819 0.045454545454545456 pirbuterol Speculative: Review vidarabine off-target effects vs obesity mechanism. Phenotypic screen recommended. procainamide celiac_disease SPECULATIVE 0.0819 0.04477611940298507 sorafenib Speculative: Review procainamide off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. buclizine larynx_cancer SPECULATIVE 0.0819 0.041666666666666664 clodronate Speculative: Review buclizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. s-adenosylmethionine endogenous_depression SPECULATIVE 0.0819 0.0392156862745098 alcaftadine Speculative: Review s-adenosylmethionine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. raloxifene lymphatic_system_cancer SPECULATIVE 0.0819 0.038461538461538464 s-adenosylmethionine Speculative: Review raloxifene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine alzheimers_disease SPECULATIVE 0.0819 0.0 flurazepam Speculative: Review adenosine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. adenosine parkinsons_disease SPECULATIVE 0.0819 0.0 cinolazepam Speculative: Review adenosine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. azacitidine narcolepsy SPECULATIVE 0.0819 0.0 phenylbutazone Speculative: Review azacitidine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. ceruletide creutzfeldt-jakob_disease SPECULATIVE 0.0819 0.0 loxapine Speculative: Review ceruletide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. cyproheptadine gilles_de_la_tourette_syndrome SPECULATIVE 0.0819 0.0 loxapine Speculative: Review cyproheptadine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. floctafenine hepatitis_b SPECULATIVE 0.0819 0.0 mitiglinide Speculative: Review floctafenine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. indapamide hepatitis_b SPECULATIVE 0.0819 0.0 mitiglinide Speculative: Review indapamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. isocarboxazid gilles_de_la_tourette_syndrome SPECULATIVE 0.0819 0.0 loxapine Speculative: Review isocarboxazid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. nitrazepam hepatitis_b SPECULATIVE 0.0819 0.0 mitiglinide Speculative: Review nitrazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pentostatin gilles_de_la_tourette_syndrome SPECULATIVE 0.0819 0.0 loxapine Speculative: Review pentostatin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. regadenoson narcolepsy SPECULATIVE 0.0819 0.0 phenylbutazone Speculative: Review regadenoson off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. vidarabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0819 0.0 loxapine Speculative: Review vidarabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. zuclopenthixol primary_biliary_cirrhosis SPECULATIVE 0.0818 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. triflupromazine sclerosing_cholangitis SPECULATIVE 0.0818 0.11764705882352941 dimetacrine Speculative: Review triflupromazine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. prednisone azoospermia SPECULATIVE 0.0818 0.10344827586206896 procaine Speculative: Review prednisone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. ethinyl_estradiol schizophrenia SPECULATIVE 0.0818 0.1 dienestrol Speculative: Review ethinyl_estradiol off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. megestrol_acetate narcolepsy SPECULATIVE 0.0818 0.09090909090909091 acetylsalicylic_acid Speculative: Review megestrol_acetate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. brompheniramine penile_cancer SPECULATIVE 0.0818 0.08695652173913043 methadone Speculative: Review brompheniramine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. cabazitaxel hypertension SPECULATIVE 0.0818 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs hypertension mechanism. Phenotypic screen recommended. ethopropazine atherosclerosis SPECULATIVE 0.0818 0.08333333333333333 warfarin Speculative: Review ethopropazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. l-dopa alopecia_areata SPECULATIVE 0.0818 0.07692307692307693 progesterone Speculative: Review l-dopa off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. methotrimeprazine larynx_cancer SPECULATIVE 0.0818 0.07692307692307693 podofilox Speculative: Review methotrimeprazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol refractive_error SPECULATIVE 0.0818 0.07142857142857142 practolol Speculative: Review diethylstilbestrol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. gefitinib azoospermia SPECULATIVE 0.0818 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs azoospermia mechanism. Phenotypic screen recommended. liothyronine gilles_de_la_tourette_syndrome SPECULATIVE 0.0818 0.06666666666666667 trifluoperazine Speculative: Review liothyronine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. estradiol chronic_kidney_failure SPECULATIVE 0.0818 0.0625 ergocalciferol Speculative: Review estradiol off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. erlotinib type_1_diabetes_mellitus SPECULATIVE 0.0818 0.047619047619047616 gliclazide Speculative: Review erlotinib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. azelastine head_and_neck_cancer SPECULATIVE 0.0818 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. azelastine malignant_glioma SPECULATIVE 0.0818 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vidarabine panic_disorder SPECULATIVE 0.0818 0.04 menadione Speculative: Review vidarabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. vidarabine schizophrenia SPECULATIVE 0.0818 0.04 menadione Speculative: Review vidarabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. adenosine_monophosphate epilepsy_syndrome SPECULATIVE 0.0818 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. clozapine lymphatic_system_cancer SPECULATIVE 0.0818 0.023255813953488372 adenosine_triphosphate Speculative: Review clozapine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine amyotrophic_lateral_sclerosis SPECULATIVE 0.0818 0.0 cinolazepam Speculative: Review adenosine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. adenosine autistic_disorder SPECULATIVE 0.0818 0.0 flurazepam Speculative: Review adenosine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. adenosine nicotine_dependence SPECULATIVE 0.0818 0.0 cinolazepam Speculative: Review adenosine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. azelastine lymphatic_system_cancer SPECULATIVE 0.0818 0.0 vinblastine Speculative: Review azelastine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cyclopentolate bone_cancer SPECULATIVE 0.0818 0.0 ibandronate Speculative: Review cyclopentolate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyproheptadine type_1_diabetes_mellitus SPECULATIVE 0.0818 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. ethynodiol malaria SPECULATIVE 0.0818 0.0 ethotoin Speculative: Review ethynodiol off-target effects vs malaria mechanism. Phenotypic screen recommended. fludiazepam lymphatic_system_cancer SPECULATIVE 0.0818 0.0 vinblastine Speculative: Review fludiazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate bone_cancer SPECULATIVE 0.0818 0.0 ibandronate Speculative: Review fluticasone_propionate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fosphenytoin acquired_immunodeficiency_syndrome SPECULATIVE 0.0818 0.0 mitiglinide Speculative: Review fosphenytoin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. isopropamide bone_cancer SPECULATIVE 0.0818 0.0 ibandronate Speculative: Review isopropamide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. isopropamide gestational_diabetes SPECULATIVE 0.0818 0.0 tolazamide Speculative: Review isopropamide off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. mestranol malaria SPECULATIVE 0.0818 0.0 ethotoin Speculative: Review mestranol off-target effects vs malaria mechanism. Phenotypic screen recommended. pentostatin type_1_diabetes_mellitus SPECULATIVE 0.0818 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. phenindamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0818 0.0 mitiglinide Speculative: Review phenindamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. reboxetine bone_cancer SPECULATIVE 0.0818 0.0 ibandronate Speculative: Review reboxetine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. reboxetine gestational_diabetes SPECULATIVE 0.0818 0.0 tolazamide Speculative: Review reboxetine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. spironolactone bone_cancer SPECULATIVE 0.0818 0.0 ibandronate Speculative: Review spironolactone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fludrocortisone chronic_kidney_failure SPECULATIVE 0.0817 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. chlorprothixene idiopathic_pulmonary_fibrosis SPECULATIVE 0.0817 0.125 ephedrine Speculative: Review chlorprothixene off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pseudoephedrine germ_cell_cancer SPECULATIVE 0.0817 0.10714285714285714 doxorubicin Speculative: Review pseudoephedrine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. sorafenib alzheimers_disease SPECULATIVE 0.0817 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. sorafenib parkinsons_disease SPECULATIVE 0.0817 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. propericiazine kidney_cancer SPECULATIVE 0.0817 0.1 levorphanol Speculative: Review propericiazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. sorafenib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0817 0.1 dexamethasone Speculative: Review sorafenib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. dexamethasone azoospermia SPECULATIVE 0.0817 0.09090909090909091 acetylsalicylic_acid Speculative: Review dexamethasone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. gemcitabine epilepsy_syndrome SPECULATIVE 0.0817 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. bezafibrate brain_cancer SPECULATIVE 0.0817 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. bezafibrate intracranial_aneurysm SPECULATIVE 0.0817 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cabazitaxel chronic_obstructive_pulmonary_disease SPECULATIVE 0.0817 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. propericiazine larynx_cancer SPECULATIVE 0.0817 0.07692307692307693 podofilox Speculative: Review propericiazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pargyline head_and_neck_cancer SPECULATIVE 0.0817 0.0625 epirubicin Speculative: Review pargyline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pargyline malignant_glioma SPECULATIVE 0.0817 0.0625 epirubicin Speculative: Review pargyline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. propericiazine atherosclerosis SPECULATIVE 0.0817 0.058823529411764705 phentermine Speculative: Review propericiazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. pirenzepine malaria SPECULATIVE 0.0817 0.05555555555555555 sulfamethizole Speculative: Review pirenzepine off-target effects vs malaria mechanism. Phenotypic screen recommended. adenosine_monophosphate schizophrenia SPECULATIVE 0.0817 0.046296296296296294 gefitinib Speculative: Review adenosine_monophosphate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. vidarabine conduct_disorder SPECULATIVE 0.0817 0.04 menadione Speculative: Review vidarabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. azelastine esophageal_cancer SPECULATIVE 0.0817 0.03225806451612903 toremifene Speculative: Review azelastine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methadone gestational_diabetes SPECULATIVE 0.0817 0.023809523809523808 bezafibrate Speculative: Review methadone off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. acepromazine dilated_cardiomyopathy SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. alcaftadine alopecia_areata SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorpromazine dilated_cardiomyopathy SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review chlorpromazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. cladribine alopecia_areata SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review cladribine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clomipramine dilated_cardiomyopathy SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. floxuridine alopecia_areata SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review floxuridine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ketoprofen alopecia_areata SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review ketoprofen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ketorolac alopecia_areata SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review ketorolac off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. moricizine dilated_cardiomyopathy SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review moricizine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. propranolol dilated_cardiomyopathy SPECULATIVE 0.0817 0.0 hydrocortisone Speculative: Review propranolol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. trimipramine ocular_cancer GAP_HIGH 0.0816 0.17647058823529413 diphenylpyraline High-priority: Binding assay trimipramine→?; validate in ocular_cancer cell model. Expected: similar to diphenylpyraline (Jaccard=0.18) clomipramine peripheral_nervous_system_neoplasm GAP_HIGH 0.0816 0.16129032258064516 phenylbutazone High-priority: Binding assay clomipramine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to phenylbutazone (Jaccard=0.16) drospirenone gilles_de_la_tourette_syndrome SPECULATIVE 0.0816 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sorafenib autistic_disorder SPECULATIVE 0.0816 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. clotrimazole alopecia_areata SPECULATIVE 0.0816 0.07692307692307693 ethinyl_estradiol Speculative: Review clotrimazole off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. raloxifene chronic_kidney_failure SPECULATIVE 0.0816 0.07142857142857142 clotrimazole Speculative: Review raloxifene off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. betamethasone malaria SPECULATIVE 0.0816 0.06666666666666667 talbutal Speculative: Review betamethasone off-target effects vs malaria mechanism. Phenotypic screen recommended. betamethasone lymphatic_system_cancer SPECULATIVE 0.0816 0.0625 vinblastine Speculative: Review betamethasone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine azoospermia SPECULATIVE 0.0816 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. melphalan alopecia_areata SPECULATIVE 0.0816 0.058823529411764705 dexamethasone Speculative: Review melphalan off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. sorafenib gilles_de_la_tourette_syndrome SPECULATIVE 0.0816 0.05714285714285714 meclizine Speculative: Review sorafenib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. sulfadiazine urinary_bladder_cancer SPECULATIVE 0.0816 0.05405405405405406 l-tyrosine Speculative: Review sulfadiazine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. tetrahydrofolic_acid atherosclerosis SPECULATIVE 0.0816 0.05263157894736842 olsalazine Speculative: Review tetrahydrofolic_acid off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. azelastine nephrolithiasis SPECULATIVE 0.0816 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. menadione gilles_de_la_tourette_syndrome SPECULATIVE 0.0816 0.043478260869565216 loperamide Speculative: Review menadione off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. vidarabine bipolar_disorder SPECULATIVE 0.0816 0.04 menadione Speculative: Review vidarabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. bromodiphenhydramine hepatitis_b SPECULATIVE 0.0816 0.02702702702702703 adenosine_triphosphate Speculative: Review bromodiphenhydramine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. docetaxel hepatitis_b SPECULATIVE 0.0816 0.016129032258064516 adenosine_monophosphate Speculative: Review docetaxel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. adenosine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0816 0.0 flurazepam Speculative: Review adenosine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. chlorthalidone esophageal_cancer SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. l-phenylalanine esophageal_cancer SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. orciprenaline esophageal_cancer SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. terbutaline esophageal_cancer SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. tolazoline penile_cancer SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. zidovudine crohns_disease SPECULATIVE 0.0816 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. zuclopenthixol meningioma SPECULATIVE 0.0815 0.11764705882352941 alendronate Speculative: Review zuclopenthixol off-target effects vs meningioma mechanism. Phenotypic screen recommended. pseudoephedrine meningioma SPECULATIVE 0.0815 0.11538461538461539 crizotinib Speculative: Review pseudoephedrine off-target effects vs meningioma mechanism. Phenotypic screen recommended. l-dopa kidney_cancer SPECULATIVE 0.0815 0.09090909090909091 acetaminophen Speculative: Review l-dopa off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cabazitaxel osteoporosis SPECULATIVE 0.0815 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. exemestane larynx_cancer SPECULATIVE 0.0815 0.08333333333333333 pantoprazole Speculative: Review exemestane off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. eplerenone narcolepsy SPECULATIVE 0.0815 0.07692307692307693 salicylic_acid Speculative: Review eplerenone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. drospirenone atherosclerosis SPECULATIVE 0.0815 0.07407407407407407 acetylsalicylic_acid Speculative: Review drospirenone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. propranolol larynx_cancer SPECULATIVE 0.0815 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. trifluoperazine malaria SPECULATIVE 0.0815 0.06666666666666667 sulfamethizole Speculative: Review trifluoperazine off-target effects vs malaria mechanism. Phenotypic screen recommended. pargyline nephrolithiasis SPECULATIVE 0.0815 0.0625 epirubicin Speculative: Review pargyline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. vidarabine endogenous_depression SPECULATIVE 0.0815 0.04 isoprenaline Speculative: Review vidarabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. sunitinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0815 0.034482758620689655 loperamide Speculative: Review sunitinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. voacamine malaria SPECULATIVE 0.0815 0.03225806451612903 phenytoin Speculative: Review voacamine off-target effects vs malaria mechanism. Phenotypic screen recommended. carbidopa bone_cancer SPECULATIVE 0.0815 0.0 ibandronate Speculative: Review carbidopa off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-tyrosine bone_cancer SPECULATIVE 0.0815 0.0 ibandronate Speculative: Review l-tyrosine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. salicylate-sodium bone_cancer SPECULATIVE 0.0815 0.0 ibandronate Speculative: Review salicylate-sodium off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tamoxifen bone_cancer SPECULATIVE 0.0815 0.0 ibandronate Speculative: Review tamoxifen off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tamoxifen gestational_diabetes SPECULATIVE 0.0815 0.0 tolazamide Speculative: Review tamoxifen off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. sorafenib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0814 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. acetophenazine thyroid_cancer SPECULATIVE 0.0814 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine gout SPECULATIVE 0.0814 0.09523809523809523 tiaprofenic_acid Speculative: Review phenylpropanolamine off-target effects vs gout mechanism. Phenotypic screen recommended. prednicarbate narcolepsy SPECULATIVE 0.0814 0.08333333333333333 salicylic_acid Speculative: Review prednicarbate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. thiothixene larynx_cancer SPECULATIVE 0.0814 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. perphenazine larynx_cancer SPECULATIVE 0.0814 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. triflupromazine glaucoma SPECULATIVE 0.0814 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. rimexolone malaria SPECULATIVE 0.0814 0.07142857142857142 talbutal Speculative: Review rimexolone off-target effects vs malaria mechanism. Phenotypic screen recommended. raloxifene type_1_diabetes_mellitus SPECULATIVE 0.0814 0.0625 betamethasone Speculative: Review raloxifene off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. adenosine_monophosphate atopic_dermatitis SPECULATIVE 0.0814 0.04477611940298507 zafirlukast Speculative: Review adenosine_monophosphate off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. s-adenosylmethionine restless_legs_syndrome SPECULATIVE 0.0814 0.04411764705882353 bezafibrate Speculative: Review s-adenosylmethionine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. vidarabine migraine SPECULATIVE 0.0814 0.04 menadione Speculative: Review vidarabine off-target effects vs migraine mechanism. Phenotypic screen recommended. megestrol_acetate lymphatic_system_cancer SPECULATIVE 0.0814 0.02631578947368421 adenosine_triphosphate Speculative: Review megestrol_acetate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pentostatin glaucoma SPECULATIVE 0.0814 0.0 pirbuterol Speculative: Review pentostatin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. spironolactone membranous_glomerulonephritis SPECULATIVE 0.0813 0.1111111111111111 bumetanide Speculative: Review spironolactone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. sorafenib hypertension SPECULATIVE 0.0813 0.10526315789473684 trimethoprim Speculative: Review sorafenib off-target effects vs hypertension mechanism. Phenotypic screen recommended. phenylpropanolamine melanoma SPECULATIVE 0.0813 0.1 melphalan Speculative: Review phenylpropanolamine off-target effects vs melanoma mechanism. Phenotypic screen recommended. trifluoperazine type_1_diabetes_mellitus SPECULATIVE 0.0813 0.1 atropine Speculative: Review trifluoperazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. pipotiazine alopecia_areata SPECULATIVE 0.0813 0.09523809523809523 levorphanol Speculative: Review pipotiazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ethinyl_estradiol amyotrophic_lateral_sclerosis SPECULATIVE 0.0813 0.09375 fludrocortisone Speculative: Review ethinyl_estradiol off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. cabazitaxel systemic_lupus_erythematosus SPECULATIVE 0.0813 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. metoclopramide chronic_obstructive_pulmonary_disease SPECULATIVE 0.0813 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. procainamide narcolepsy SPECULATIVE 0.0813 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. prednisone larynx_cancer SPECULATIVE 0.0813 0.06666666666666667 pantoprazole Speculative: Review prednisone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. nateglinide lymphatic_system_cancer SPECULATIVE 0.0813 0.05 voacamine Speculative: Review nateglinide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. zuclopenthixol atherosclerosis SPECULATIVE 0.0813 0.05 aminosalicylic_acid Speculative: Review zuclopenthixol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. bevantolol germ_cell_cancer SPECULATIVE 0.0813 0.043478260869565216 raloxifene Speculative: Review bevantolol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. vidarabine autistic_disorder SPECULATIVE 0.0813 0.03571428571428571 flurazepam Speculative: Review vidarabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. adenosine asthma SPECULATIVE 0.0813 0.0 cinolazepam Speculative: Review adenosine off-target effects vs asthma mechanism. Phenotypic screen recommended. adenosine conduct_disorder SPECULATIVE 0.0813 0.0 flurazepam Speculative: Review adenosine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. adenosine panic_disorder SPECULATIVE 0.0813 0.0 flurazepam Speculative: Review adenosine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. adenosine schizophrenia SPECULATIVE 0.0813 0.0 flurazepam Speculative: Review adenosine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. anisindione head_and_neck_cancer SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. anisindione malignant_glioma SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dimetindene head_and_neck_cancer SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dimetindene malignant_glioma SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review dimetindene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methyclothiazide head_and_neck_cancer SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methyclothiazide malignant_glioma SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review methyclothiazide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. orphenadrine head_and_neck_cancer SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. orphenadrine malignant_glioma SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review orphenadrine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. propiomazine dilated_cardiomyopathy SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. zuclopenthixol dilated_cardiomyopathy SPECULATIVE 0.0813 0.0 hydrocortisone Speculative: Review zuclopenthixol off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. mequitazine pharynx_cancer SPECULATIVE 0.0812 0.125 alendronate Speculative: Review mequitazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. warfarin germ_cell_cancer SPECULATIVE 0.0812 0.125 tamoxifen Speculative: Review warfarin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. diphenhydramine kidney_cancer SPECULATIVE 0.0812 0.12121212121212122 levorphanol Speculative: Review diphenhydramine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. tamoxifen glaucoma SPECULATIVE 0.0812 0.1111111111111111 metaraminol Speculative: Review tamoxifen off-target effects vs glaucoma mechanism. Phenotypic screen recommended. vandetanib ankylosing_spondylitis SPECULATIVE 0.0812 0.1 sorafenib Speculative: Review vandetanib off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. cabazitaxel metabolic_syndrome_x SPECULATIVE 0.0812 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. lacosamide penile_cancer SPECULATIVE 0.0812 0.08333333333333333 benzocaine Speculative: Review lacosamide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. metoclopramide epilepsy_syndrome SPECULATIVE 0.0812 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. vinblastine refractive_error SPECULATIVE 0.0812 0.058823529411764705 masoprocol Speculative: Review vinblastine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. cladribine restless_legs_syndrome SPECULATIVE 0.0812 0.047619047619047616 chloroprocaine Speculative: Review cladribine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. adenosine_monophosphate psoriasis SPECULATIVE 0.0812 0.04477611940298507 zafirlukast Speculative: Review adenosine_monophosphate off-target effects vs psoriasis mechanism. Phenotypic screen recommended. adenosine_monophosphate alzheimers_disease SPECULATIVE 0.0812 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. adenosine_monophosphate parkinsons_disease SPECULATIVE 0.0812 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. adenosine hypertension SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review adenosine off-target effects vs hypertension mechanism. Phenotypic screen recommended. afatinib focal_segmental_glomerulosclerosis SPECULATIVE 0.0812 0.0 methdilazine Speculative: Review afatinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. anisindione kidney_cancer SPECULATIVE 0.0812 0.0 oxybuprocaine Speculative: Review anisindione off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. aspartame larynx_cancer SPECULATIVE 0.0812 0.0 vinblastine Speculative: Review aspartame off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. ceruletide epilepsy_syndrome SPECULATIVE 0.0812 0.0 flurazepam Speculative: Review ceruletide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. clodronate lymphatic_system_cancer SPECULATIVE 0.0812 0.0 vinblastine Speculative: Review clodronate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cyproheptadine brain_cancer SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. cyproheptadine intracranial_aneurysm SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. disopyramide brain_cancer SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. disopyramide intracranial_aneurysm SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. drospirenone bone_cancer SPECULATIVE 0.0812 0.0 ibandronate Speculative: Review drospirenone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. dydrogesterone bone_cancer SPECULATIVE 0.0812 0.0 ibandronate Speculative: Review dydrogesterone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. entecavir atherosclerosis SPECULATIVE 0.0812 0.0 fenoprofen Speculative: Review entecavir off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. hydrocortisone bone_cancer SPECULATIVE 0.0812 0.0 ibandronate Speculative: Review hydrocortisone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. isocarboxazid brain_cancer SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. isocarboxazid intracranial_aneurysm SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. l-phenylalanine focal_segmental_glomerulosclerosis SPECULATIVE 0.0812 0.0 methdilazine Speculative: Review l-phenylalanine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. methyldopa bone_cancer SPECULATIVE 0.0812 0.0 ibandronate Speculative: Review methyldopa off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. nitrazepam larynx_cancer SPECULATIVE 0.0812 0.0 vinblastine Speculative: Review nitrazepam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. nortriptyline lymphatic_system_cancer SPECULATIVE 0.0812 0.0 vinblastine Speculative: Review nortriptyline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pemetrexed focal_segmental_glomerulosclerosis SPECULATIVE 0.0812 0.0 methdilazine Speculative: Review pemetrexed off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. phenmetrazine brain_cancer SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenmetrazine intracranial_aneurysm SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. procaine larynx_cancer SPECULATIVE 0.0812 0.0 vinblastine Speculative: Review procaine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. telbivudine focal_segmental_glomerulosclerosis SPECULATIVE 0.0812 0.0 methdilazine Speculative: Review telbivudine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. testosterone_propionate bone_cancer SPECULATIVE 0.0812 0.0 ibandronate Speculative: Review testosterone_propionate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. zidovudine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0812 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. pipotiazine pharynx_cancer GAP_HIGH 0.0811 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in pharynx_cancer cell model. Expected: similar to tioguanine (Jaccard=0.15) methadone alopecia_areata SPECULATIVE 0.0811 0.13333333333333333 levorphanol Speculative: Review methadone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. salsalate meningioma SPECULATIVE 0.0811 0.11428571428571428 modafinil Speculative: Review salsalate off-target effects vs meningioma mechanism. Phenotypic screen recommended. thiothixene refractive_error SPECULATIVE 0.0811 0.1111111111111111 clonidine Speculative: Review thiothixene off-target effects vs refractive_error mechanism. Phenotypic screen recommended. sorafenib asthma SPECULATIVE 0.0811 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs asthma mechanism. Phenotypic screen recommended. bromfenac germ_cell_cancer SPECULATIVE 0.0811 0.1 procarbazine Speculative: Review bromfenac off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. sorafenib creutzfeldt-jakob_disease SPECULATIVE 0.0811 0.09375 pseudoephedrine Speculative: Review sorafenib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. alimemazine glaucoma SPECULATIVE 0.0811 0.09090909090909091 metaraminol Speculative: Review alimemazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. norethindrone azoospermia SPECULATIVE 0.0811 0.08 loperamide Speculative: Review norethindrone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. promazine atherosclerosis SPECULATIVE 0.0811 0.07142857142857142 warfarin Speculative: Review promazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. propericiazine lymphatic_system_cancer SPECULATIVE 0.0811 0.05555555555555555 tetrahydrofolic_acid Speculative: Review propericiazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate metabolic_syndrome_x SPECULATIVE 0.0811 0.046875 sulpiride Speculative: Review adenosine_monophosphate off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. adenosine_monophosphate amyotrophic_lateral_sclerosis SPECULATIVE 0.0811 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. adenosine_monophosphate autistic_disorder SPECULATIVE 0.0811 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. adenosine_monophosphate nicotine_dependence SPECULATIVE 0.0811 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. phensuximide larynx_cancer SPECULATIVE 0.0811 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. procainamide alopecia_areata SPECULATIVE 0.0811 0.01639344262295082 dexamethasone Speculative: Review procainamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine allergic_rhinitis SPECULATIVE 0.0811 0.0 flurazepam Speculative: Review adenosine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. adenosine bipolar_disorder SPECULATIVE 0.0811 0.0 flurazepam Speculative: Review adenosine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. afatinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0811 0.0 loxapine Speculative: Review afatinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. anisindione nephrolithiasis SPECULATIVE 0.0811 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. crizotinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0811 0.0 loxapine Speculative: Review crizotinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. dimetindene refractive_error SPECULATIVE 0.0811 0.0 pirbuterol Speculative: Review dimetindene off-target effects vs refractive_error mechanism. Phenotypic screen recommended. goserelin hepatitis_b SPECULATIVE 0.0811 0.0 mitiglinide Speculative: Review goserelin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. oxcarbazepine hepatitis_b SPECULATIVE 0.0811 0.0 mitiglinide Speculative: Review oxcarbazepine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pemetrexed gilles_de_la_tourette_syndrome SPECULATIVE 0.0811 0.0 loxapine Speculative: Review pemetrexed off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. phenformin gilles_de_la_tourette_syndrome SPECULATIVE 0.0811 0.0 loxapine Speculative: Review phenformin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. phenindione hepatitis_b SPECULATIVE 0.0811 0.0 mitiglinide Speculative: Review phenindione off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phenoxybenzamine hepatitis_b SPECULATIVE 0.0811 0.0 mitiglinide Speculative: Review phenoxybenzamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. telbivudine gilles_de_la_tourette_syndrome SPECULATIVE 0.0811 0.0 loxapine Speculative: Review telbivudine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. thioproperazine kidney_cancer SPECULATIVE 0.081 0.12 oxybuprocaine Speculative: Review thioproperazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. thioproperazine nephrolithiasis SPECULATIVE 0.081 0.12 oxybuprocaine Speculative: Review thioproperazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. salsalate germ_cell_cancer SPECULATIVE 0.081 0.10526315789473684 procarbazine Speculative: Review salsalate off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. sorafenib migraine SPECULATIVE 0.081 0.10526315789473684 trimethoprim Speculative: Review sorafenib off-target effects vs migraine mechanism. Phenotypic screen recommended. clotrimazole refractive_error SPECULATIVE 0.081 0.09090909090909091 sotalol Speculative: Review clotrimazole off-target effects vs refractive_error mechanism. Phenotypic screen recommended. tamoxifen larynx_cancer SPECULATIVE 0.081 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. testosterone_propionate gilles_de_la_tourette_syndrome SPECULATIVE 0.081 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. brompheniramine meningioma SPECULATIVE 0.081 0.08695652173913043 methadone Speculative: Review brompheniramine off-target effects vs meningioma mechanism. Phenotypic screen recommended. voacamine chronic_obstructive_pulmonary_disease SPECULATIVE 0.081 0.08695652173913043 trimipramine Speculative: Review voacamine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. cabazitaxel osteoarthritis SPECULATIVE 0.081 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. gemcitabine autistic_disorder SPECULATIVE 0.081 0.08333333333333333 l-arginine Speculative: Review gemcitabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. gemcitabine nicotine_dependence SPECULATIVE 0.081 0.08333333333333333 l-arginine Speculative: Review gemcitabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. metoclopramide ankylosing_spondylitis SPECULATIVE 0.081 0.08064516129032258 sulfanilamide Speculative: Review metoclopramide off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. buclizine germ_cell_cancer SPECULATIVE 0.081 0.06896551724137931 etoricoxib Speculative: Review buclizine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. liothyronine brain_cancer SPECULATIVE 0.081 0.06666666666666667 spironolactone Speculative: Review liothyronine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. liothyronine intracranial_aneurysm SPECULATIVE 0.081 0.06666666666666667 spironolactone Speculative: Review liothyronine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. rimexolone lymphatic_system_cancer SPECULATIVE 0.081 0.06666666666666667 vinblastine Speculative: Review rimexolone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. droxidopa lymphatic_system_cancer SPECULATIVE 0.081 0.0625 streptozocin Speculative: Review droxidopa off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. temazepam alopecia_areata SPECULATIVE 0.081 0.045454545454545456 levorphanol Speculative: Review temazepam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vidarabine nicotine_dependence SPECULATIVE 0.081 0.034482758620689655 phenylpropanolamine Speculative: Review vidarabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. adenosine endogenous_depression SPECULATIVE 0.081 0.0 flurazepam Speculative: Review adenosine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. benzatropine dilated_cardiomyopathy SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review benzatropine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. chlorprothixene dilated_cardiomyopathy SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. diclofenamide duodenum_cancer SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. diclofenamide gallbladder_cancer SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. pimozide primary_biliary_cirrhosis SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review pimozide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. thiothixene dilated_cardiomyopathy SPECULATIVE 0.081 0.0 hydrocortisone Speculative: Review thiothixene off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. vitamin_a restless_legs_syndrome SPECULATIVE 0.081 0.0 flurazepam Speculative: Review vitamin_a off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. doxepin pharynx_cancer SPECULATIVE 0.0809 0.11538461538461539 methadone Speculative: Review doxepin off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. sorafenib allergic_rhinitis SPECULATIVE 0.0809 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. spironolactone refractive_error SPECULATIVE 0.0809 0.1 dinoprost_tromethamine Speculative: Review spironolactone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trifluoperazine glaucoma SPECULATIVE 0.0809 0.1 metaraminol Speculative: Review trifluoperazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. thiothixene esophageal_cancer SPECULATIVE 0.0809 0.09375 toremifene Speculative: Review thiothixene off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. erlotinib amyotrophic_lateral_sclerosis SPECULATIVE 0.0809 0.09090909090909091 rasagiline Speculative: Review erlotinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. ethinyl_estradiol parkinsons_disease SPECULATIVE 0.0809 0.09090909090909091 diethylstilbestrol Speculative: Review ethinyl_estradiol off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. bezafibrate head_and_neck_cancer SPECULATIVE 0.0809 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bezafibrate malignant_glioma SPECULATIVE 0.0809 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. entecavir restless_legs_syndrome SPECULATIVE 0.0809 0.05 chloroprocaine Speculative: Review entecavir off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. propranolol malaria SPECULATIVE 0.0809 0.047619047619047616 warfarin Speculative: Review propranolol off-target effects vs malaria mechanism. Phenotypic screen recommended. estradiol gilles_de_la_tourette_syndrome SPECULATIVE 0.0809 0.045454545454545456 clotrimazole Speculative: Review estradiol off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. clozapine alopecia_areata SPECULATIVE 0.0809 0.043478260869565216 levorphanol Speculative: Review clozapine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. vidarabine restless_legs_syndrome SPECULATIVE 0.0809 0.043478260869565216 orciprenaline Speculative: Review vidarabine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. alendronate type_1_diabetes_mellitus SPECULATIVE 0.0809 0.041666666666666664 sulfapyridine Speculative: Review alendronate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. adenosine_monophosphate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0809 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. anisotropine_methylbromide thyroid_cancer SPECULATIVE 0.0809 0.03225806451612903 l-tyrosine Speculative: Review anisotropine_methylbromide off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. lapatinib membranous_glomerulonephritis SPECULATIVE 0.0809 0.02857142857142857 adenosine_triphosphate Speculative: Review lapatinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. metoclopramide alopecia_areata SPECULATIVE 0.0809 0.015625 dexamethasone Speculative: Review metoclopramide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. moricizine acquired_immunodeficiency_syndrome SPECULATIVE 0.0809 0.015151515151515152 adenosine_monophosphate Speculative: Review moricizine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. abacavir alopecia_areata SPECULATIVE 0.0809 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. aminosalicylic_acid bone_cancer SPECULATIVE 0.0809 0.0 ibandronate Speculative: Review aminosalicylic_acid off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. droxidopa bone_cancer SPECULATIVE 0.0809 0.0 ibandronate Speculative: Review droxidopa off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ifenprodil bone_cancer SPECULATIVE 0.0809 0.0 ibandronate Speculative: Review ifenprodil off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. ifenprodil gestational_diabetes SPECULATIVE 0.0809 0.0 tolazamide Speculative: Review ifenprodil off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. quinethazone alopecia_areata SPECULATIVE 0.0809 0.0 hydrocortisone Speculative: Review quinethazone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. telbivudine type_1_diabetes_mellitus SPECULATIVE 0.0809 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. tranylcypromine alopecia_areata SPECULATIVE 0.0809 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. bezafibrate creutzfeldt-jakob_disease SPECULATIVE 0.0808 0.11538461538461539 lisinopril Speculative: Review bezafibrate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. rimexolone membranous_glomerulonephritis SPECULATIVE 0.0808 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. warfarin refractive_error SPECULATIVE 0.0808 0.1111111111111111 clonidine Speculative: Review warfarin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. amcinonide focal_segmental_glomerulosclerosis SPECULATIVE 0.0808 0.1 floctafenine Speculative: Review amcinonide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. prednisone chronic_kidney_failure SPECULATIVE 0.0808 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. cabazitaxel obesity SPECULATIVE 0.0808 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs obesity mechanism. Phenotypic screen recommended. gemcitabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0808 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. methotrimeprazine esophageal_cancer SPECULATIVE 0.0808 0.08333333333333333 topotecan Speculative: Review methotrimeprazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. raloxifene focal_segmental_glomerulosclerosis SPECULATIVE 0.0808 0.058823529411764705 toremifene Speculative: Review raloxifene off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. carbidopa lymphatic_system_cancer SPECULATIVE 0.0808 0.05555555555555555 streptozocin Speculative: Review carbidopa off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. voacamine type_1_diabetes_mellitus SPECULATIVE 0.0808 0.05263157894736842 rimexolone Speculative: Review voacamine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. vandetanib glaucoma SPECULATIVE 0.0808 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. metoclopramide focal_segmental_glomerulosclerosis SPECULATIVE 0.0808 0.024096385542168676 clofedanol Speculative: Review metoclopramide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. amitriptyline acquired_immunodeficiency_syndrome SPECULATIVE 0.0808 0.0 mitiglinide Speculative: Review amitriptyline off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. anisotropine_methylbromide esophageal_cancer SPECULATIVE 0.0808 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. diethylstilbestrol acquired_immunodeficiency_syndrome SPECULATIVE 0.0808 0.0 mitiglinide Speculative: Review diethylstilbestrol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. megestrol_acetate acquired_immunodeficiency_syndrome SPECULATIVE 0.0808 0.0 mitiglinide Speculative: Review megestrol_acetate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. norethindrone acquired_immunodeficiency_syndrome SPECULATIVE 0.0808 0.0 mitiglinide Speculative: Review norethindrone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tolazoline meningioma SPECULATIVE 0.0808 0.0 hydrocortisone Speculative: Review tolazoline off-target effects vs meningioma mechanism. Phenotypic screen recommended. vindesine acquired_immunodeficiency_syndrome SPECULATIVE 0.0808 0.0 mitiglinide Speculative: Review vindesine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. toremifene brain_cancer SPECULATIVE 0.0807 0.13043478260869565 levorphanol Speculative: Review toremifene off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. sorafenib multiple_sclerosis SPECULATIVE 0.0807 0.10344827586206896 acetylsalicylic_acid Speculative: Review sorafenib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. clocortolone glaucoma SPECULATIVE 0.0807 0.09090909090909091 succinylcholine Speculative: Review clocortolone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. difluprednate glaucoma SPECULATIVE 0.0807 0.09090909090909091 succinylcholine Speculative: Review difluprednate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clofedanol atherosclerosis SPECULATIVE 0.0807 0.08571428571428572 warfarin Speculative: Review clofedanol off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. bezafibrate nephrolithiasis SPECULATIVE 0.0807 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clodronate alzheimers_disease SPECULATIVE 0.0807 0.06666666666666667 nateglinide Speculative: Review clodronate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. cortisone_acetate gilles_de_la_tourette_syndrome SPECULATIVE 0.0807 0.06666666666666667 carbinoxamine Speculative: Review cortisone_acetate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. adenosine_monophosphate obesity SPECULATIVE 0.0807 0.046875 sulpiride Speculative: Review adenosine_monophosphate off-target effects vs obesity mechanism. Phenotypic screen recommended. adenosine_monophosphate panic_disorder SPECULATIVE 0.0807 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. phentermine lymphatic_system_cancer SPECULATIVE 0.0807 0.017543859649122806 s-adenosylmethionine Speculative: Review phentermine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. azacitidine creutzfeldt-jakob_disease SPECULATIVE 0.0807 0.0 loxapine Speculative: Review azacitidine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. regadenoson creutzfeldt-jakob_disease SPECULATIVE 0.0807 0.0 loxapine Speculative: Review regadenoson off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. zidovudine coronary_artery_disease SPECULATIVE 0.0807 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. zidovudine narcolepsy SPECULATIVE 0.0807 0.0 phenylbutazone Speculative: Review zidovudine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. mequitazine salivary_gland_cancer SPECULATIVE 0.0806 0.125 alendronate Speculative: Review mequitazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. clofedanol alopecia_areata SPECULATIVE 0.0806 0.11428571428571428 levorphanol Speculative: Review clofedanol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ethinyl_estradiol attention_deficit_hyperactivity_disorder SPECULATIVE 0.0806 0.09090909090909091 diethylstilbestrol Speculative: Review ethinyl_estradiol off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. isopropamide kidney_cancer SPECULATIVE 0.0806 0.08695652173913043 oxybuprocaine Speculative: Review isopropamide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. metoclopramide alzheimers_disease SPECULATIVE 0.0806 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. metoclopramide parkinsons_disease SPECULATIVE 0.0806 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. gefitinib crohns_disease SPECULATIVE 0.0806 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. clodronate autistic_disorder SPECULATIVE 0.0806 0.06666666666666667 nateglinide Speculative: Review clodronate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. pamidronate type_1_diabetes_mellitus SPECULATIVE 0.0806 0.04 sulfapyridine Speculative: Review pamidronate off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. adenosine_monophosphate asthma SPECULATIVE 0.0806 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs asthma mechanism. Phenotypic screen recommended. adenosine_monophosphate hypertension SPECULATIVE 0.0806 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs hypertension mechanism. Phenotypic screen recommended. benzatropine acquired_immunodeficiency_syndrome SPECULATIVE 0.0806 0.015625 adenosine_monophosphate Speculative: Review benzatropine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ceruletide alzheimers_disease SPECULATIVE 0.0806 0.0 flurazepam Speculative: Review ceruletide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. ceruletide parkinsons_disease SPECULATIVE 0.0806 0.0 cinolazepam Speculative: Review ceruletide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. diphemanil_methylsulfate bone_cancer SPECULATIVE 0.0806 0.0 ibandronate Speculative: Review diphemanil_methylsulfate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. l-dopa alcohol_dependence SPECULATIVE 0.0806 0.0 midazolam Speculative: Review l-dopa off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. mequitazine dilated_cardiomyopathy SPECULATIVE 0.0806 0.0 hydrocortisone Speculative: Review mequitazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. telbivudine glaucoma SPECULATIVE 0.0806 0.0 pirbuterol Speculative: Review telbivudine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. pipotiazine salivary_gland_cancer GAP_HIGH 0.0805 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in salivary_gland_cancer cell model. Expected: similar to tioguanine (Jaccard=0.15) fentanyl glaucoma SPECULATIVE 0.0805 0.11428571428571428 bevantolol Speculative: Review fentanyl off-target effects vs glaucoma mechanism. Phenotypic screen recommended. aminosalicylic_acid membranous_glomerulonephritis SPECULATIVE 0.0805 0.1111111111111111 acetophenazine Speculative: Review aminosalicylic_acid off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. acetophenazine urinary_bladder_cancer SPECULATIVE 0.0805 0.1 mesalazine Speculative: Review acetophenazine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. bromfenac penile_cancer SPECULATIVE 0.0805 0.1 procarbazine Speculative: Review bromfenac off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. salicylate-sodium membranous_glomerulonephritis SPECULATIVE 0.0805 0.1 ergocalciferol Speculative: Review salicylate-sodium off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. chlordiazepoxide pharynx_cancer SPECULATIVE 0.0805 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. isopropamide nephrolithiasis SPECULATIVE 0.0805 0.08695652173913043 oxybuprocaine Speculative: Review isopropamide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. toremifene atherosclerosis SPECULATIVE 0.0805 0.08695652173913043 warfarin Speculative: Review toremifene off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. fluticasone_propionate gilles_de_la_tourette_syndrome SPECULATIVE 0.0805 0.08333333333333333 flunarizine Speculative: Review fluticasone_propionate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. gemcitabine asthma SPECULATIVE 0.0805 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs asthma mechanism. Phenotypic screen recommended. gemcitabine panic_disorder SPECULATIVE 0.0805 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. gemcitabine schizophrenia SPECULATIVE 0.0805 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. metoclopramide amyotrophic_lateral_sclerosis SPECULATIVE 0.0805 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. metoclopramide autistic_disorder SPECULATIVE 0.0805 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. metoclopramide nicotine_dependence SPECULATIVE 0.0805 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. prochlorperazine kidney_cancer SPECULATIVE 0.0805 0.05555555555555555 oxybuprocaine Speculative: Review prochlorperazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide type_1_diabetes_mellitus SPECULATIVE 0.0805 0.05 atropine Speculative: Review chlordiazepoxide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. isopropamide atherosclerosis SPECULATIVE 0.0805 0.05 pargyline Speculative: Review isopropamide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. zuclopenthixol lymphatic_system_cancer SPECULATIVE 0.0805 0.045454545454545456 tetrahydrofolic_acid Speculative: Review zuclopenthixol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate allergic_rhinitis SPECULATIVE 0.0805 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. adenosine_monophosphate conduct_disorder SPECULATIVE 0.0805 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. norethindrone lymphatic_system_cancer SPECULATIVE 0.0805 0.024390243902439025 adenosine_triphosphate Speculative: Review norethindrone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ceruletide amyotrophic_lateral_sclerosis SPECULATIVE 0.0805 0.0 cinolazepam Speculative: Review ceruletide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. ceruletide autistic_disorder SPECULATIVE 0.0805 0.0 flurazepam Speculative: Review ceruletide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. ceruletide nicotine_dependence SPECULATIVE 0.0805 0.0 cinolazepam Speculative: Review ceruletide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. cinnarizine lymphatic_system_cancer SPECULATIVE 0.0805 0.0 vinblastine Speculative: Review cinnarizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. docetaxel malaria SPECULATIVE 0.0805 0.0 ethotoin Speculative: Review docetaxel off-target effects vs malaria mechanism. Phenotypic screen recommended. entecavir malaria SPECULATIVE 0.0805 0.0 ethotoin Speculative: Review entecavir off-target effects vs malaria mechanism. Phenotypic screen recommended. flurbiprofen lymphatic_system_cancer SPECULATIVE 0.0805 0.0 vinblastine Speculative: Review flurbiprofen off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. goserelin larynx_cancer SPECULATIVE 0.0805 0.0 vinblastine Speculative: Review goserelin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. oxcarbazepine larynx_cancer SPECULATIVE 0.0805 0.0 vinblastine Speculative: Review oxcarbazepine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenindione larynx_cancer SPECULATIVE 0.0805 0.0 vinblastine Speculative: Review phenindione off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. vandetanib malaria SPECULATIVE 0.0805 0.0 ethotoin Speculative: Review vandetanib off-target effects vs malaria mechanism. Phenotypic screen recommended. clocortolone epilepsy_syndrome SPECULATIVE 0.0804 0.125 floctafenine Speculative: Review clocortolone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. difluprednate epilepsy_syndrome SPECULATIVE 0.0804 0.125 floctafenine Speculative: Review difluprednate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. norethindrone creutzfeldt-jakob_disease SPECULATIVE 0.0804 0.1 dextromethorphan Speculative: Review norethindrone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. gemcitabine conduct_disorder SPECULATIVE 0.0804 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. tiaprofenic_acid kidney_cancer SPECULATIVE 0.0804 0.08333333333333333 acetaminophen Speculative: Review tiaprofenic_acid off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cabazitaxel asthma SPECULATIVE 0.0804 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs asthma mechanism. Phenotypic screen recommended. pargyline prostate_cancer SPECULATIVE 0.0804 0.07692307692307693 enzalutamide Speculative: Review pargyline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. voacamine celiac_disease SPECULATIVE 0.0804 0.058823529411764705 clocortolone Speculative: Review voacamine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. prochlorperazine nephrolithiasis SPECULATIVE 0.0804 0.05555555555555555 oxybuprocaine Speculative: Review prochlorperazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. oxaprozin alopecia_areata SPECULATIVE 0.0804 0.05263157894736842 fluticasone_propionate Speculative: Review oxaprozin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. levonordefrin head_and_neck_cancer SPECULATIVE 0.0804 0.047619047619047616 exemestane Speculative: Review levonordefrin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. adenosine_monophosphate bipolar_disorder SPECULATIVE 0.0804 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. procainamide esophageal_cancer SPECULATIVE 0.0804 0.01818181818181818 vincristine Speculative: Review procainamide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. beclomethasone bone_cancer SPECULATIVE 0.0804 0.0 ibandronate Speculative: Review beclomethasone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. cyclizine acquired_immunodeficiency_syndrome SPECULATIVE 0.0804 0.0 mitiglinide Speculative: Review cyclizine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cyproheptadine head_and_neck_cancer SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cyproheptadine malignant_glioma SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cyproterone_acetate hepatitis_b SPECULATIVE 0.0804 0.0 mitiglinide Speculative: Review cyproterone_acetate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. disopyramide head_and_neck_cancer SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. disopyramide malignant_glioma SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fluocinonide bone_cancer SPECULATIVE 0.0804 0.0 ibandronate Speculative: Review fluocinonide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fluoxymesterone bone_cancer SPECULATIVE 0.0804 0.0 ibandronate Speculative: Review fluoxymesterone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. indecainide acquired_immunodeficiency_syndrome SPECULATIVE 0.0804 0.0 mitiglinide Speculative: Review indecainide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. isocarboxazid head_and_neck_cancer SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. isocarboxazid malignant_glioma SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. loxapine acquired_immunodeficiency_syndrome SPECULATIVE 0.0804 0.0 mitiglinide Speculative: Review loxapine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. midazolam hepatitis_b SPECULATIVE 0.0804 0.0 mitiglinide Speculative: Review midazolam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phenmetrazine head_and_neck_cancer SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenmetrazine malignant_glioma SPECULATIVE 0.0804 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fludrocortisone membranous_glomerulonephritis SPECULATIVE 0.0803 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. modafinil glaucoma SPECULATIVE 0.0803 0.125 bevantolol Speculative: Review modafinil off-target effects vs glaucoma mechanism. Phenotypic screen recommended. doxepin salivary_gland_cancer SPECULATIVE 0.0803 0.11538461538461539 methadone Speculative: Review doxepin off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. sorafenib atopic_dermatitis SPECULATIVE 0.0803 0.1 menadione Speculative: Review sorafenib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. gemcitabine allergic_rhinitis SPECULATIVE 0.0803 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. gemcitabine bipolar_disorder SPECULATIVE 0.0803 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. metoclopramide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0803 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. oxaprozin germ_cell_cancer SPECULATIVE 0.0803 0.08333333333333333 letrozole Speculative: Review oxaprozin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cabazitaxel allergic_rhinitis SPECULATIVE 0.0803 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. cabazitaxel atopic_dermatitis SPECULATIVE 0.0803 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. zuclopenthixol esophageal_cancer SPECULATIVE 0.0803 0.07692307692307693 toremifene Speculative: Review zuclopenthixol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. phensuximide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0803 0.06666666666666667 ephedrine Speculative: Review phensuximide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. levorphanol glaucoma SPECULATIVE 0.0803 0.0625 chlorphenesin Speculative: Review levorphanol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. lapatinib creutzfeldt-jakob_disease SPECULATIVE 0.0803 0.043478260869565216 pseudoephedrine Speculative: Review lapatinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. mazindol alopecia_areata SPECULATIVE 0.0803 0.0425531914893617 drospirenone Speculative: Review mazindol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. adenosine_monophosphate migraine SPECULATIVE 0.0803 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs migraine mechanism. Phenotypic screen recommended. adenosine_monophosphate endogenous_depression SPECULATIVE 0.0803 0.03896103896103896 meclizine Speculative: Review adenosine_monophosphate off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. erlotinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0803 0.038461538461538464 loperamide Speculative: Review erlotinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ceruletide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0803 0.0 flurazepam Speculative: Review ceruletide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. chlorthalidone intracranial_aneurysm SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cladribine focal_segmental_glomerulosclerosis SPECULATIVE 0.0803 0.0 methdilazine Speculative: Review cladribine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. cyproheptadine kidney_cancer SPECULATIVE 0.0803 0.0 oxybuprocaine Speculative: Review cyproheptadine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. disopyramide kidney_cancer SPECULATIVE 0.0803 0.0 oxybuprocaine Speculative: Review disopyramide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. floxuridine focal_segmental_glomerulosclerosis SPECULATIVE 0.0803 0.0 methdilazine Speculative: Review floxuridine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. l-phenylalanine brain_cancer SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-phenylalanine intracranial_aneurysm SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. orciprenaline brain_cancer SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. orciprenaline intracranial_aneurysm SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenformin brain_cancer SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenformin intracranial_aneurysm SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pirenzepine dilated_cardiomyopathy SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review pirenzepine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. terbutaline brain_cancer SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. terbutaline intracranial_aneurysm SPECULATIVE 0.0803 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pipotiazine ocular_cancer GAP_HIGH 0.0802 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in ocular_cancer cell model. Expected: similar to tioguanine (Jaccard=0.15) thioproperazine primary_biliary_cirrhosis SPECULATIVE 0.0802 0.14285714285714285 tioguanine Speculative: Review thioproperazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. spironolactone gilles_de_la_tourette_syndrome SPECULATIVE 0.0802 0.08695652173913043 loperamide Speculative: Review spironolactone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. gemcitabine endogenous_depression SPECULATIVE 0.0802 0.08333333333333333 menadione Speculative: Review gemcitabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. buclizine primary_biliary_cirrhosis SPECULATIVE 0.0802 0.07692307692307693 sulfapyridine Speculative: Review buclizine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. pirenzepine type_1_diabetes_mellitus SPECULATIVE 0.0802 0.07692307692307693 atropine Speculative: Review pirenzepine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. procainamide creutzfeldt-jakob_disease SPECULATIVE 0.0802 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. gemcitabine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0802 0.06666666666666667 dyphylline Speculative: Review gemcitabine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. liothyronine malignant_glioma SPECULATIVE 0.0802 0.06666666666666667 spironolactone Speculative: Review liothyronine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fludiazepam primary_biliary_cirrhosis SPECULATIVE 0.0802 0.058823529411764705 sulfapyridine Speculative: Review fludiazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. methyldopa lymphatic_system_cancer SPECULATIVE 0.0802 0.058823529411764705 streptozocin Speculative: Review methyldopa off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. gemcitabine celiac_disease SPECULATIVE 0.0802 0.05 sorafenib Speculative: Review gemcitabine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. alcaftadine gilles_de_la_tourette_syndrome SPECULATIVE 0.0802 0.0 loxapine Speculative: Review alcaftadine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. cladribine gilles_de_la_tourette_syndrome SPECULATIVE 0.0802 0.0 loxapine Speculative: Review cladribine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. cyproheptadine nephrolithiasis SPECULATIVE 0.0802 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. disopyramide nephrolithiasis SPECULATIVE 0.0802 0.0 hydrocortisone Speculative: Review disopyramide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. floxuridine gilles_de_la_tourette_syndrome SPECULATIVE 0.0802 0.0 loxapine Speculative: Review floxuridine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. isocarboxazid nephrolithiasis SPECULATIVE 0.0802 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. pentostatin refractive_error SPECULATIVE 0.0802 0.0 pirbuterol Speculative: Review pentostatin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenmetrazine refractive_error SPECULATIVE 0.0802 0.0 pirbuterol Speculative: Review phenmetrazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. zuclopenthixol pharynx_cancer SPECULATIVE 0.0801 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. trimipramine glaucoma SPECULATIVE 0.0801 0.1111111111111111 metaraminol Speculative: Review trimipramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. aminosalicylic_acid larynx_cancer SPECULATIVE 0.0801 0.07692307692307693 procarbazine Speculative: Review aminosalicylic_acid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cabazitaxel psoriasis SPECULATIVE 0.0801 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs psoriasis mechanism. Phenotypic screen recommended. triflupromazine refractive_error SPECULATIVE 0.0801 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. cabazitaxel narcolepsy SPECULATIVE 0.0801 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. chlordiazepoxide glaucoma SPECULATIVE 0.0801 0.05 metaraminol Speculative: Review chlordiazepoxide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. triflupromazine malaria SPECULATIVE 0.0801 0.037037037037037035 modafinil Speculative: Review triflupromazine off-target effects vs malaria mechanism. Phenotypic screen recommended. diphenylpyraline dilated_cardiomyopathy SPECULATIVE 0.0801 0.030303030303030304 medrysone Speculative: Review diphenylpyraline off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. metoclopramide esophageal_cancer SPECULATIVE 0.0801 0.016666666666666666 topotecan Speculative: Review metoclopramide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. acenocoumarol germ_cell_cancer SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review acenocoumarol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. alcaftadine type_1_diabetes_mellitus SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. anisotropine_methylbromide type_1_diabetes_mellitus SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. aspartame alopecia_areata SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ethopropazine gestational_diabetes SPECULATIVE 0.0801 0.0 tolazamide Speculative: Review ethopropazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. floxuridine type_1_diabetes_mellitus SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review floxuridine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. indapamide alopecia_areata SPECULATIVE 0.0801 0.0 hydrocortisone Speculative: Review indapamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fentanyl germ_cell_cancer SPECULATIVE 0.08 0.13043478260869565 tamoxifen Speculative: Review fentanyl off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. doxepin ocular_cancer SPECULATIVE 0.08 0.11538461538461539 methadone Speculative: Review doxepin off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. chlorprothixene glaucoma SPECULATIVE 0.08 0.08333333333333333 pseudoephedrine Speculative: Review chlorprothixene off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fluticasone_propionate glaucoma SPECULATIVE 0.08 0.08333333333333333 chlorphenesin Speculative: Review fluticasone_propionate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. metoclopramide asthma SPECULATIVE 0.08 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs asthma mechanism. Phenotypic screen recommended. metoclopramide panic_disorder SPECULATIVE 0.08 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. cabazitaxel migraine SPECULATIVE 0.08 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs migraine mechanism. Phenotypic screen recommended. cabazitaxel multiple_sclerosis SPECULATIVE 0.08 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. gefitinib gout SPECULATIVE 0.08 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs gout mechanism. Phenotypic screen recommended. meclizine type_1_diabetes_mellitus SPECULATIVE 0.08 0.07692307692307693 sulfapyridine Speculative: Review meclizine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. liothyronine nephrolithiasis SPECULATIVE 0.08 0.06666666666666667 spironolactone Speculative: Review liothyronine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. sorafenib membranous_glomerulonephritis SPECULATIVE 0.08 0.06666666666666667 adefovir_dipivoxil Speculative: Review sorafenib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenylpropanolamine focal_segmental_glomerulosclerosis SPECULATIVE 0.08 0.05555555555555555 calcium_acetate Speculative: Review phenylpropanolamine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. gefitinib glaucoma SPECULATIVE 0.08 0.03571428571428571 metaraminol Speculative: Review gefitinib off-target effects vs glaucoma mechanism. Phenotypic screen recommended. gefitinib focal_segmental_glomerulosclerosis SPECULATIVE 0.08 0.03076923076923077 thioproperazine Speculative: Review gefitinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. azacitidine epilepsy_syndrome SPECULATIVE 0.08 0.0 flurazepam Speculative: Review azacitidine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. ceruletide conduct_disorder SPECULATIVE 0.08 0.0 flurazepam Speculative: Review ceruletide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. ceruletide panic_disorder SPECULATIVE 0.08 0.0 flurazepam Speculative: Review ceruletide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. ceruletide schizophrenia SPECULATIVE 0.08 0.0 flurazepam Speculative: Review ceruletide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. cyproheptadine celiac_disease SPECULATIVE 0.08 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. pentostatin celiac_disease SPECULATIVE 0.08 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. regadenoson epilepsy_syndrome SPECULATIVE 0.08 0.0 flurazepam Speculative: Review regadenoson off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pipotiazine peripheral_nervous_system_neoplasm GAP_HIGH 0.0799 0.15384615384615385 tioguanine High-priority: Binding assay pipotiazine→?; validate in peripheral_nervous_system_neoplasm cell model. Expected: similar to tioguanine (Jaccard=0.15) phenytoin sclerosing_cholangitis SPECULATIVE 0.0799 0.13953488372093023 modafinil Speculative: Review phenytoin off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. spironolactone creutzfeldt-jakob_disease SPECULATIVE 0.0799 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. amitriptyline pharynx_cancer SPECULATIVE 0.0799 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. tamoxifen refractive_error SPECULATIVE 0.0799 0.1111111111111111 metaraminol Speculative: Review tamoxifen off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methotrimeprazine penile_cancer SPECULATIVE 0.0799 0.10526315789473684 proparacaine Speculative: Review methotrimeprazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide salivary_gland_cancer SPECULATIVE 0.0799 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. alimemazine refractive_error SPECULATIVE 0.0799 0.09090909090909091 metaraminol Speculative: Review alimemazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. triflupromazine malignant_mesothelioma SPECULATIVE 0.0799 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. cabazitaxel rheumatoid_arthritis SPECULATIVE 0.0799 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs rheumatoid_arthritis mechanism. Phenotypic screen recommended. metoclopramide atopic_dermatitis SPECULATIVE 0.0799 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. metoclopramide conduct_disorder SPECULATIVE 0.0799 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. metoclopramide hypertension SPECULATIVE 0.0799 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs hypertension mechanism. Phenotypic screen recommended. diphemanil_methylsulfate glaucoma SPECULATIVE 0.0799 0.07692307692307693 methacholine Speculative: Review diphemanil_methylsulfate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. triflupromazine celiac_disease SPECULATIVE 0.0799 0.07692307692307693 diphenhydramine Speculative: Review triflupromazine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. isoprenaline head_and_neck_cancer SPECULATIVE 0.0799 0.058823529411764705 exemestane Speculative: Review isoprenaline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. medrysone atherosclerosis SPECULATIVE 0.0799 0.058823529411764705 salicylic_acid Speculative: Review medrysone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. paclitaxel azoospermia SPECULATIVE 0.0799 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs azoospermia mechanism. Phenotypic screen recommended. ifenprodil atherosclerosis SPECULATIVE 0.0799 0.046511627906976744 fenoprofen Speculative: Review ifenprodil off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. butenafine hepatitis_b SPECULATIVE 0.0799 0.02857142857142857 adenosine_triphosphate Speculative: Review butenafine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acetophenazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0799 0.0 mitiglinide Speculative: Review acetophenazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alimemazine dilated_cardiomyopathy SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review alimemazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. benzphetamine lymphatic_system_cancer SPECULATIVE 0.0799 0.0 vinblastine Speculative: Review benzphetamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cinolazepam esophageal_cancer SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. clocortolone bone_cancer SPECULATIVE 0.0799 0.0 ibandronate Speculative: Review clocortolone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. difluprednate bone_cancer SPECULATIVE 0.0799 0.0 ibandronate Speculative: Review difluprednate off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. doxepin acquired_immunodeficiency_syndrome SPECULATIVE 0.0799 0.0 mitiglinide Speculative: Review doxepin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ethinyl_estradiol lymphatic_system_cancer SPECULATIVE 0.0799 0.0 vinblastine Speculative: Review ethinyl_estradiol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methotrimeprazine dilated_cardiomyopathy SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review methotrimeprazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pazopanib malaria SPECULATIVE 0.0799 0.0 ethotoin Speculative: Review pazopanib off-target effects vs malaria mechanism. Phenotypic screen recommended. pentostatin chronic_kidney_failure SPECULATIVE 0.0799 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. phenylbutazone bone_cancer SPECULATIVE 0.0799 0.0 ibandronate Speculative: Review phenylbutazone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. promethazine dilated_cardiomyopathy SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review promethazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. salicylic_acid lymphatic_system_cancer SPECULATIVE 0.0799 0.0 vinblastine Speculative: Review salicylic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tolterodine lymphatic_system_cancer SPECULATIVE 0.0799 0.0 vinblastine Speculative: Review tolterodine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tranylcypromine esophageal_cancer SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. trifluoperazine dilated_cardiomyopathy SPECULATIVE 0.0799 0.0 hydrocortisone Speculative: Review trifluoperazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. sorafenib restless_legs_syndrome SPECULATIVE 0.0798 0.10526315789473684 trimethoprim Speculative: Review sorafenib off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. thioproperazine alopecia_areata SPECULATIVE 0.0798 0.09090909090909091 levorphanol Speculative: Review thioproperazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. methdilazine glaucoma SPECULATIVE 0.0798 0.08823529411764706 pseudoephedrine Speculative: Review methdilazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. salsalate kidney_cancer SPECULATIVE 0.0798 0.08695652173913043 sulfaphenazole Speculative: Review salsalate off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. methotrimeprazine glaucoma SPECULATIVE 0.0798 0.08333333333333333 metaraminol Speculative: Review methotrimeprazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. metoclopramide allergic_rhinitis SPECULATIVE 0.0798 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. metoclopramide bipolar_disorder SPECULATIVE 0.0798 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. perphenazine type_1_diabetes_mellitus SPECULATIVE 0.0798 0.08333333333333333 atropine Speculative: Review perphenazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. salicylate-sodium intracranial_aneurysm SPECULATIVE 0.0798 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pirenzepine glaucoma SPECULATIVE 0.0798 0.07692307692307693 metaraminol Speculative: Review pirenzepine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. propiomazine glaucoma SPECULATIVE 0.0798 0.06666666666666667 sotalol Speculative: Review propiomazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. oxaprozin brain_cancer SPECULATIVE 0.0798 0.0625 epirubicin Speculative: Review oxaprozin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. oxaprozin intracranial_aneurysm SPECULATIVE 0.0798 0.0625 epirubicin Speculative: Review oxaprozin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. methdilazine lymphatic_system_cancer SPECULATIVE 0.0798 0.05 vinblastine Speculative: Review methdilazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. benzphetamine kidney_cancer SPECULATIVE 0.0798 0.041666666666666664 oxybuprocaine Speculative: Review benzphetamine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. l-serine esophageal_cancer SPECULATIVE 0.0798 0.029411764705882353 melphalan Speculative: Review l-serine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. zuclopenthixol acquired_immunodeficiency_syndrome SPECULATIVE 0.0798 0.014084507042253521 adenosine_monophosphate Speculative: Review zuclopenthixol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ceruletide bipolar_disorder SPECULATIVE 0.0798 0.0 flurazepam Speculative: Review ceruletide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. toremifene kidney_cancer SPECULATIVE 0.0797 0.13043478260869565 levorphanol Speculative: Review toremifene off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. bezafibrate muscle_cancer SPECULATIVE 0.0797 0.11538461538461539 lisinopril Speculative: Review bezafibrate off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. bezafibrate pharynx_cancer SPECULATIVE 0.0797 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. carbinoxamine pharynx_cancer SPECULATIVE 0.0797 0.1111111111111111 methadone Speculative: Review carbinoxamine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. progesterone glaucoma SPECULATIVE 0.0797 0.10526315789473684 choline Speculative: Review progesterone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. bromfenac meningioma SPECULATIVE 0.0797 0.1 procarbazine Speculative: Review bromfenac off-target effects vs meningioma mechanism. Phenotypic screen recommended. sorafenib amyotrophic_lateral_sclerosis SPECULATIVE 0.0797 0.09375 pseudoephedrine Speculative: Review sorafenib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. methotrexate asthma SPECULATIVE 0.0797 0.09090909090909091 menadione Speculative: Review methotrexate off-target effects vs asthma mechanism. Phenotypic screen recommended. cabazitaxel psoriatic_arthritis SPECULATIVE 0.0797 0.08333333333333333 procarbazine Speculative: Review cabazitaxel off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. metoclopramide endogenous_depression SPECULATIVE 0.0797 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. propericiazine glaucoma SPECULATIVE 0.0797 0.08333333333333333 metaraminol Speculative: Review propericiazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ethinyl_estradiol creutzfeldt-jakob_disease SPECULATIVE 0.0797 0.07692307692307693 l-dopa Speculative: Review ethinyl_estradiol off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenylpropanolamine penile_cancer SPECULATIVE 0.0797 0.07692307692307693 topotecan Speculative: Review phenylpropanolamine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. rimexolone larynx_cancer SPECULATIVE 0.0797 0.07692307692307693 pantoprazole Speculative: Review rimexolone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salicylate-sodium esophageal_cancer SPECULATIVE 0.0797 0.07692307692307693 mesalazine Speculative: Review salicylate-sodium off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid hepatitis_b SPECULATIVE 0.0797 0.07142857142857142 trandolapril Speculative: Review aminosalicylic_acid off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diphemanil_methylsulfate larynx_cancer SPECULATIVE 0.0797 0.0625 procarbazine Speculative: Review diphemanil_methylsulfate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. olsalazine alopecia_areata SPECULATIVE 0.0797 0.058823529411764705 dexamethasone Speculative: Review olsalazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pipotiazine atherosclerosis SPECULATIVE 0.0797 0.05555555555555555 phentermine Speculative: Review pipotiazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. azelastine germ_cell_cancer SPECULATIVE 0.0797 0.045454545454545456 alendronate Speculative: Review azelastine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. benzphetamine nephrolithiasis SPECULATIVE 0.0797 0.041666666666666664 oxybuprocaine Speculative: Review benzphetamine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. loxapine larynx_cancer SPECULATIVE 0.0797 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. propranolol lymphatic_system_cancer SPECULATIVE 0.0797 0.037037037037037035 riboflavin Speculative: Review propranolol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine gilles_de_la_tourette_syndrome SPECULATIVE 0.0797 0.03225806451612903 remifentanil Speculative: Review l-serine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. bepotastine glaucoma SPECULATIVE 0.0797 0.0 pirbuterol Speculative: Review bepotastine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ceruletide endogenous_depression SPECULATIVE 0.0797 0.0 flurazepam Speculative: Review ceruletide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. clobazam hepatitis_b SPECULATIVE 0.0797 0.0 mitiglinide Speculative: Review clobazam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. floxuridine glaucoma SPECULATIVE 0.0797 0.0 pirbuterol Speculative: Review floxuridine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fulvestrant hepatitis_b SPECULATIVE 0.0797 0.0 mitiglinide Speculative: Review fulvestrant off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. mestranol hepatitis_b SPECULATIVE 0.0797 0.0 mitiglinide Speculative: Review mestranol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. metoclopramide larynx_cancer SPECULATIVE 0.0797 0.0 vinblastine Speculative: Review metoclopramide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. midazolam larynx_cancer SPECULATIVE 0.0797 0.0 vinblastine Speculative: Review midazolam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. progesterone panic_disorder GAP_HIGH 0.0796 0.15789473684210525 dienestrol High-priority: Binding assay progesterone→?; validate in panic_disorder cell model. Expected: similar to dienestrol (Jaccard=0.16) progesterone schizophrenia GAP_HIGH 0.0796 0.15789473684210525 dienestrol High-priority: Binding assay progesterone→?; validate in schizophrenia cell model. Expected: similar to dienestrol (Jaccard=0.16) fludrocortisone azoospermia SPECULATIVE 0.0796 0.125 procaine Speculative: Review fludrocortisone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. drospirenone chronic_kidney_failure SPECULATIVE 0.0796 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. ethopropazine brain_cancer SPECULATIVE 0.0796 0.1111111111111111 epirubicin Speculative: Review ethopropazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ethopropazine intracranial_aneurysm SPECULATIVE 0.0796 0.1111111111111111 epirubicin Speculative: Review ethopropazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. propranolol duodenum_cancer SPECULATIVE 0.0796 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. propranolol gallbladder_cancer SPECULATIVE 0.0796 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. trifluoperazine refractive_error SPECULATIVE 0.0796 0.1 metaraminol Speculative: Review trifluoperazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. chlordiazepoxide ocular_cancer SPECULATIVE 0.0796 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. methotrexate allergic_rhinitis SPECULATIVE 0.0796 0.09090909090909091 menadione Speculative: Review methotrexate off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. l-tyrosine gilles_de_la_tourette_syndrome SPECULATIVE 0.0796 0.08571428571428572 ifenprodil Speculative: Review l-tyrosine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. beclomethasone glaucoma SPECULATIVE 0.0796 0.08333333333333333 succinylcholine Speculative: Review beclomethasone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. metoclopramide multiple_sclerosis SPECULATIVE 0.0796 0.08333333333333333 tranylcypromine Speculative: Review metoclopramide off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. prednicarbate epilepsy_syndrome SPECULATIVE 0.0796 0.08333333333333333 aprindine Speculative: Review prednicarbate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. eplerenone epilepsy_syndrome SPECULATIVE 0.0796 0.07692307692307693 aprindine Speculative: Review eplerenone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. l-dopa intracranial_aneurysm SPECULATIVE 0.0796 0.07692307692307693 progesterone Speculative: Review l-dopa off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. betamethasone larynx_cancer SPECULATIVE 0.0796 0.07142857142857142 pantoprazole Speculative: Review betamethasone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. prednisone focal_segmental_glomerulosclerosis SPECULATIVE 0.0796 0.07142857142857142 dimetacrine Speculative: Review prednisone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. propranolol type_1_diabetes_mellitus SPECULATIVE 0.0796 0.07142857142857142 tioguanine Speculative: Review propranolol off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. oxaprozin malignant_glioma SPECULATIVE 0.0796 0.06666666666666667 vinblastine Speculative: Review oxaprozin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. tiaprofenic_acid larynx_cancer SPECULATIVE 0.0796 0.05555555555555555 procarbazine Speculative: Review tiaprofenic_acid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cabazitaxel azoospermia SPECULATIVE 0.0796 0.047619047619047616 naproxen Speculative: Review cabazitaxel off-target effects vs azoospermia mechanism. Phenotypic screen recommended. floxuridine alzheimers_disease SPECULATIVE 0.0796 0.034482758620689655 acetylsalicylic_acid Speculative: Review floxuridine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. l-serine focal_segmental_glomerulosclerosis SPECULATIVE 0.0796 0.03076923076923077 calcium_acetate Speculative: Review l-serine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. clofarabine narcolepsy SPECULATIVE 0.0796 0.0 phenylbutazone Speculative: Review clofarabine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. exemestane bone_cancer SPECULATIVE 0.0796 0.0 ibandronate Speculative: Review exemestane off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. fentanyl bone_cancer SPECULATIVE 0.0796 0.0 ibandronate Speculative: Review fentanyl off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. medrysone bone_cancer SPECULATIVE 0.0796 0.0 ibandronate Speculative: Review medrysone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mesalazine bone_cancer SPECULATIVE 0.0796 0.0 ibandronate Speculative: Review mesalazine off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. mesalazine gestational_diabetes SPECULATIVE 0.0796 0.0 tolazamide Speculative: Review mesalazine off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. methdilazine dilated_cardiomyopathy SPECULATIVE 0.0796 0.0 hydrocortisone Speculative: Review methdilazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. perphenazine dilated_cardiomyopathy SPECULATIVE 0.0796 0.0 hydrocortisone Speculative: Review perphenazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. pipotiazine dilated_cardiomyopathy SPECULATIVE 0.0796 0.0 hydrocortisone Speculative: Review pipotiazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. phenylbutazone idiopathic_pulmonary_fibrosis SPECULATIVE 0.0795 0.15 ephedrine Speculative: Review phenylbutazone off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. triflupromazine sarcoma SPECULATIVE 0.0795 0.11764705882352941 dimetacrine Speculative: Review triflupromazine off-target effects vs sarcoma mechanism. Phenotypic screen recommended. chlorpromazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0795 0.11538461538461539 ephedrine Speculative: Review chlorpromazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. fluoxymesterone azoospermia SPECULATIVE 0.0795 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. bezafibrate thyroid_cancer SPECULATIVE 0.0795 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. dydrogesterone narcolepsy SPECULATIVE 0.0795 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. clocortolone refractive_error SPECULATIVE 0.0795 0.09090909090909091 succinylcholine Speculative: Review clocortolone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. difluprednate refractive_error SPECULATIVE 0.0795 0.09090909090909091 succinylcholine Speculative: Review difluprednate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. alimemazine brain_cancer SPECULATIVE 0.0795 0.08333333333333333 podofilox Speculative: Review alimemazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alimemazine intracranial_aneurysm SPECULATIVE 0.0795 0.08333333333333333 podofilox Speculative: Review alimemazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cortisone_acetate membranous_glomerulonephritis SPECULATIVE 0.0795 0.07692307692307693 calcitriol Speculative: Review cortisone_acetate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. procainamide chronic_obstructive_pulmonary_disease SPECULATIVE 0.0795 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. procainamide epilepsy_syndrome SPECULATIVE 0.0795 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. l-serine crohns_disease SPECULATIVE 0.0795 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. betamethasone atherosclerosis SPECULATIVE 0.0795 0.05 floctafenine Speculative: Review betamethasone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vandetanib chronic_kidney_failure SPECULATIVE 0.0795 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. gefitinib chronic_kidney_failure SPECULATIVE 0.0795 0.043478260869565216 acetylsalicylic_acid Speculative: Review gefitinib off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. chlordiazepoxide alopecia_areata SPECULATIVE 0.0795 0.034482758620689655 levorphanol Speculative: Review chlordiazepoxide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. floxuridine parkinsons_disease SPECULATIVE 0.0795 0.034482758620689655 acetylsalicylic_acid Speculative: Review floxuridine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenindione primary_biliary_cirrhosis SPECULATIVE 0.0795 0.03225806451612903 bezafibrate Speculative: Review phenindione off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. phensuximide alopecia_areata SPECULATIVE 0.0795 0.02040816326530612 estradiol_valeratedienogest Speculative: Review phensuximide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. abacavir focal_segmental_glomerulosclerosis SPECULATIVE 0.0795 0.0 methdilazine Speculative: Review abacavir off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. alcaftadine brain_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alcaftadine intracranial_aneurysm SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. anileridine intracranial_aneurysm SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review anileridine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. anisotropine_methylbromide intracranial_aneurysm SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. bepotastine intracranial_aneurysm SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review bepotastine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chlorthalidone head_and_neck_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlorthalidone malignant_glioma SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. eplerenone acquired_immunodeficiency_syndrome SPECULATIVE 0.0795 0.0 mitiglinide Speculative: Review eplerenone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ketorolac brain_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review ketorolac off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-phenylalanine head_and_neck_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. l-phenylalanine malignant_glioma SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. orciprenaline head_and_neck_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. orciprenaline malignant_glioma SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenformin head_and_neck_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenformin malignant_glioma SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. terbutaline head_and_neck_cancer SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. terbutaline malignant_glioma SPECULATIVE 0.0795 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. tranylcypromine focal_segmental_glomerulosclerosis SPECULATIVE 0.0795 0.0 methdilazine Speculative: Review tranylcypromine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. zidovudine creutzfeldt-jakob_disease SPECULATIVE 0.0795 0.0 loxapine Speculative: Review zidovudine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. clocortolone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0794 0.125 floctafenine Speculative: Review clocortolone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. difluprednate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0794 0.125 floctafenine Speculative: Review difluprednate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. zuclopenthixol salivary_gland_cancer SPECULATIVE 0.0794 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. dydrogesterone autistic_disorder SPECULATIVE 0.0794 0.1111111111111111 tropicamide Speculative: Review dydrogesterone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. olsalazine creutzfeldt-jakob_disease SPECULATIVE 0.0794 0.10714285714285714 pseudoephedrine Speculative: Review olsalazine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. pseudoephedrine primary_biliary_cirrhosis SPECULATIVE 0.0794 0.10714285714285714 olsalazine Speculative: Review pseudoephedrine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. vandetanib osteoporosis SPECULATIVE 0.0794 0.1 sorafenib Speculative: Review vandetanib off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. vandetanib psoriasis SPECULATIVE 0.0794 0.1 sorafenib Speculative: Review vandetanib off-target effects vs psoriasis mechanism. Phenotypic screen recommended. thiothixene glaucoma SPECULATIVE 0.0794 0.09090909090909091 metaraminol Speculative: Review thiothixene off-target effects vs glaucoma mechanism. Phenotypic screen recommended. perphenazine glaucoma SPECULATIVE 0.0794 0.08333333333333333 metaraminol Speculative: Review perphenazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clotrimazole brain_cancer SPECULATIVE 0.0794 0.07692307692307693 ethinyl_estradiol Speculative: Review clotrimazole off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. isopropamide brain_cancer SPECULATIVE 0.0794 0.07692307692307693 epirubicin Speculative: Review isopropamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. isopropamide intracranial_aneurysm SPECULATIVE 0.0794 0.07692307692307693 epirubicin Speculative: Review isopropamide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. oxaprozin nephrolithiasis SPECULATIVE 0.0794 0.06666666666666667 vinblastine Speculative: Review oxaprozin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. propranolol esophageal_cancer SPECULATIVE 0.0794 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. clotrimazole larynx_cancer SPECULATIVE 0.0794 0.058823529411764705 procarbazine Speculative: Review clotrimazole off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. dexamethasone gilles_de_la_tourette_syndrome SPECULATIVE 0.0794 0.058823529411764705 clotrimazole Speculative: Review dexamethasone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. temazepam esophageal_cancer SPECULATIVE 0.0794 0.041666666666666664 toremifene Speculative: Review temazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. buclizine alopecia_areata SPECULATIVE 0.0794 0.034482758620689655 fluticasone_propionate Speculative: Review buclizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-serine type_1_diabetes_mellitus SPECULATIVE 0.0794 0.03125 cyclopentolate Speculative: Review l-serine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. abacavir gilles_de_la_tourette_syndrome SPECULATIVE 0.0794 0.0 loxapine Speculative: Review abacavir off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. azacitidine alzheimers_disease SPECULATIVE 0.0794 0.0 flurazepam Speculative: Review azacitidine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. azacitidine parkinsons_disease SPECULATIVE 0.0794 0.0 cinolazepam Speculative: Review azacitidine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. diclofenamide liver_cancer SPECULATIVE 0.0794 0.0 hydrocortisone Speculative: Review diclofenamide off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. l-phenylalanine kidney_cancer SPECULATIVE 0.0794 0.0 oxybuprocaine Speculative: Review l-phenylalanine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. modafinil bone_cancer SPECULATIVE 0.0794 0.0 ibandronate Speculative: Review modafinil off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. regadenoson alzheimers_disease SPECULATIVE 0.0794 0.0 flurazepam Speculative: Review regadenoson off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. regadenoson parkinsons_disease SPECULATIVE 0.0794 0.0 cinolazepam Speculative: Review regadenoson off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. methadone kidney_cancer SPECULATIVE 0.0793 0.14285714285714285 procaine Speculative: Review methadone off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. beclomethasone epilepsy_syndrome SPECULATIVE 0.0793 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. amitriptyline salivary_gland_cancer SPECULATIVE 0.0793 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide peripheral_nervous_system_neoplasm SPECULATIVE 0.0793 0.09523809523809523 alendronate Speculative: Review chlordiazepoxide off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. metoclopramide psoriasis SPECULATIVE 0.0793 0.08064516129032258 sulfanilamide Speculative: Review metoclopramide off-target effects vs psoriasis mechanism. Phenotypic screen recommended. phenylpropanolamine gilles_de_la_tourette_syndrome SPECULATIVE 0.0793 0.05263157894736842 moricizine Speculative: Review phenylpropanolamine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. erlotinib hepatitis_b SPECULATIVE 0.0793 0.014925373134328358 adenosine_monophosphate Speculative: Review erlotinib off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. abacavir type_1_diabetes_mellitus SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. azacitidine amyotrophic_lateral_sclerosis SPECULATIVE 0.0793 0.0 cinolazepam Speculative: Review azacitidine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. azacitidine autistic_disorder SPECULATIVE 0.0793 0.0 flurazepam Speculative: Review azacitidine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. azacitidine nicotine_dependence SPECULATIVE 0.0793 0.0 cinolazepam Speculative: Review azacitidine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. chlorthalidone nephrolithiasis SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cinolazepam type_1_diabetes_mellitus SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. goserelin alopecia_areata SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-phenylalanine nephrolithiasis SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mefenamic_acid lymphatic_system_cancer SPECULATIVE 0.0793 0.0 vinblastine Speculative: Review mefenamic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mepenzolate atherosclerosis SPECULATIVE 0.0793 0.0 fenoprofen Speculative: Review mepenzolate off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. mepenzolate lymphatic_system_cancer SPECULATIVE 0.0793 0.0 vinblastine Speculative: Review mepenzolate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methadyl_acetate alopecia_areata SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review methadyl_acetate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. oxcarbazepine alopecia_areata SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenformin nephrolithiasis SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenindione alopecia_areata SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pheniramine dilated_cardiomyopathy SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review pheniramine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. podofilox lymphatic_system_cancer SPECULATIVE 0.0793 0.0 vinblastine Speculative: Review podofilox off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. propericiazine dilated_cardiomyopathy SPECULATIVE 0.0793 0.0 hydrocortisone Speculative: Review propericiazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. regadenoson amyotrophic_lateral_sclerosis SPECULATIVE 0.0793 0.0 cinolazepam Speculative: Review regadenoson off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. regadenoson autistic_disorder SPECULATIVE 0.0793 0.0 flurazepam Speculative: Review regadenoson off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. regadenoson nicotine_dependence SPECULATIVE 0.0793 0.0 cinolazepam Speculative: Review regadenoson off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. telbivudine refractive_error SPECULATIVE 0.0793 0.0 pirbuterol Speculative: Review telbivudine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. thioproperazine ocular_cancer GAP_HIGH 0.0792 0.15384615384615385 metaraminol High-priority: Binding assay thioproperazine→?; validate in ocular_cancer cell model. Expected: similar to metaraminol (Jaccard=0.15) methadone nephrolithiasis SPECULATIVE 0.0792 0.14285714285714285 procaine Speculative: Review methadone off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. zuclopenthixol ocular_cancer SPECULATIVE 0.0792 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. dydrogesterone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0792 0.1111111111111111 tropicamide Speculative: Review dydrogesterone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. propranolol sclerosing_cholangitis SPECULATIVE 0.0792 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. thiothixene type_1_diabetes_mellitus SPECULATIVE 0.0792 0.08695652173913043 tioguanine Speculative: Review thiothixene off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. phenacemide gilles_de_la_tourette_syndrome SPECULATIVE 0.0792 0.08 remifentanil Speculative: Review phenacemide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fluorometholone narcolepsy SPECULATIVE 0.0792 0.07692307692307693 salicylic_acid Speculative: Review fluorometholone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. exemestane atherosclerosis SPECULATIVE 0.0792 0.05555555555555555 mesalazine Speculative: Review exemestane off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. oxaprozin type_1_diabetes_mellitus SPECULATIVE 0.0792 0.05555555555555555 benzatropine Speculative: Review oxaprozin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. gefitinib germ_cell_cancer SPECULATIVE 0.0792 0.05357142857142857 lapatinib Speculative: Review gefitinib off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. clozapine refractive_error SPECULATIVE 0.0792 0.05263157894736842 practolol Speculative: Review clozapine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pipotiazine lymphatic_system_cancer SPECULATIVE 0.0792 0.05263157894736842 tetrahydrofolic_acid Speculative: Review pipotiazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cinolazepam pharynx_cancer SPECULATIVE 0.0792 0.03333333333333333 l-tyrosine Speculative: Review cinolazepam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. procainamide glaucoma SPECULATIVE 0.0792 0.017241379310344827 choline Speculative: Review procainamide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. pirenzepine acquired_immunodeficiency_syndrome SPECULATIVE 0.0792 0.014705882352941176 adenosine_monophosphate Speculative: Review pirenzepine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. anisindione germ_cell_cancer SPECULATIVE 0.0792 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. nitrazepam esophageal_cancer SPECULATIVE 0.0792 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. clocortolone conduct_disorder SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review clocortolone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. clocortolone panic_disorder SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review clocortolone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. clocortolone schizophrenia SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review clocortolone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. difluprednate conduct_disorder SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review difluprednate off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. difluprednate panic_disorder SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review difluprednate off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. difluprednate schizophrenia SPECULATIVE 0.0791 0.125 floctafenine Speculative: Review difluprednate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. triflupromazine urinary_bladder_cancer SPECULATIVE 0.0791 0.1111111111111111 aprindine Speculative: Review triflupromazine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. l-dopa prostate_cancer SPECULATIVE 0.0791 0.1 fenoprofen Speculative: Review l-dopa off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. norethindrone alzheimers_disease SPECULATIVE 0.0791 0.1 levorphanol Speculative: Review norethindrone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. pipotiazine brain_cancer SPECULATIVE 0.0791 0.09523809523809523 levorphanol Speculative: Review pipotiazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ethinyl_estradiol epilepsy_syndrome SPECULATIVE 0.0791 0.07692307692307693 l-dopa Speculative: Review ethinyl_estradiol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. l-tyrosine alopecia_areata SPECULATIVE 0.0791 0.075 ethinyl_estradiol Speculative: Review l-tyrosine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. meclizine esophageal_cancer SPECULATIVE 0.0791 0.06896551724137931 etoricoxib Speculative: Review meclizine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. erlotinib coronary_artery_disease SPECULATIVE 0.0791 0.06666666666666667 naloxone Speculative: Review erlotinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. ethopropazine lymphatic_system_cancer SPECULATIVE 0.0791 0.06666666666666667 riboflavin Speculative: Review ethopropazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fosphenytoin idiopathic_pulmonary_fibrosis SPECULATIVE 0.0791 0.06666666666666667 desloratadine Speculative: Review fosphenytoin off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. tiaprofenic_acid alopecia_areata SPECULATIVE 0.0791 0.058823529411764705 cyproterone_acetate Speculative: Review tiaprofenic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. gemcitabine chronic_kidney_failure SPECULATIVE 0.0791 0.045454545454545456 acetylsalicylic_acid Speculative: Review gemcitabine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. l-histidine focal_segmental_glomerulosclerosis SPECULATIVE 0.0791 0.04 acetophenazine Speculative: Review l-histidine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. raloxifene hepatitis_b SPECULATIVE 0.0791 0.038461538461538464 s-adenosylmethionine Speculative: Review raloxifene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vandetanib gilles_de_la_tourette_syndrome SPECULATIVE 0.0791 0.028169014084507043 meclizine Speculative: Review vandetanib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. metoclopramide chronic_kidney_failure SPECULATIVE 0.0791 0.0273972602739726 trimipramine Speculative: Review metoclopramide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. procainamide brain_cancer SPECULATIVE 0.0791 0.017857142857142856 histamine_phosphate Speculative: Review procainamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vandetanib alopecia_areata SPECULATIVE 0.0791 0.017543859649122806 dexamethasone Speculative: Review vandetanib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. metoclopramide glaucoma SPECULATIVE 0.0791 0.016666666666666666 metaraminol Speculative: Review metoclopramide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. procainamide focal_segmental_glomerulosclerosis SPECULATIVE 0.0791 0.012345679012345678 clofedanol Speculative: Review procainamide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. azacitidine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0791 0.0 flurazepam Speculative: Review azacitidine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. carbidopa alcohol_dependence SPECULATIVE 0.0791 0.0 midazolam Speculative: Review carbidopa off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. loperamide bone_cancer SPECULATIVE 0.0791 0.0 ibandronate Speculative: Review loperamide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. regadenoson attention_deficit_hyperactivity_disorder SPECULATIVE 0.0791 0.0 flurazepam Speculative: Review regadenoson off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. rimexolone bone_cancer SPECULATIVE 0.0791 0.0 ibandronate Speculative: Review rimexolone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. salicylate-sodium alcohol_dependence SPECULATIVE 0.0791 0.0 midazolam Speculative: Review salicylate-sodium off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. telbivudine celiac_disease SPECULATIVE 0.0791 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. amitriptyline ocular_cancer SPECULATIVE 0.079 0.1111111111111111 topotecan Speculative: Review amitriptyline off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. carbinoxamine salivary_gland_cancer SPECULATIVE 0.079 0.1111111111111111 methadone Speculative: Review carbinoxamine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. dexamethasone creutzfeldt-jakob_disease SPECULATIVE 0.079 0.1 raloxifene Speculative: Review dexamethasone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. norethindrone autistic_disorder SPECULATIVE 0.079 0.1 dextromethorphan Speculative: Review norethindrone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. norethindrone nicotine_dependence SPECULATIVE 0.079 0.1 levorphanol Speculative: Review norethindrone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. norethindrone parkinsons_disease SPECULATIVE 0.079 0.1 dextromethorphan Speculative: Review norethindrone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. pheniramine kidney_cancer SPECULATIVE 0.079 0.09375 oxybuprocaine Speculative: Review pheniramine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. testosterone_propionate chronic_kidney_failure SPECULATIVE 0.079 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. reboxetine glaucoma SPECULATIVE 0.079 0.08333333333333333 practolol Speculative: Review reboxetine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. chlorpromazine glaucoma SPECULATIVE 0.079 0.07894736842105263 pseudoephedrine Speculative: Review chlorpromazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. temazepam primary_biliary_cirrhosis SPECULATIVE 0.079 0.07692307692307693 atropine Speculative: Review temazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. levorphanol refractive_error SPECULATIVE 0.079 0.0625 chlorphenesin Speculative: Review levorphanol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. pargyline penile_cancer SPECULATIVE 0.079 0.0625 epirubicin Speculative: Review pargyline off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. gefitinib membranous_glomerulonephritis SPECULATIVE 0.079 0.05 s-adenosylmethionine Speculative: Review gefitinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. adenosine_monophosphate restless_legs_syndrome SPECULATIVE 0.079 0.039473684210526314 bezafibrate Speculative: Review adenosine_monophosphate off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. clotrimazole atherosclerosis SPECULATIVE 0.079 0.038461538461538464 naproxen Speculative: Review clotrimazole off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vandetanib brain_cancer SPECULATIVE 0.079 0.03333333333333333 doxorubicin Speculative: Review vandetanib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. vandetanib intracranial_aneurysm SPECULATIVE 0.079 0.03333333333333333 doxorubicin Speculative: Review vandetanib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clozapine hepatitis_b SPECULATIVE 0.079 0.023255813953488372 adenosine_triphosphate Speculative: Review clozapine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phensuximide esophageal_cancer SPECULATIVE 0.079 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. thiothixene acquired_immunodeficiency_syndrome SPECULATIVE 0.079 0.01282051282051282 adenosine_monophosphate Speculative: Review thiothixene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aceprometazine acquired_immunodeficiency_syndrome SPECULATIVE 0.079 0.0 mitiglinide Speculative: Review aceprometazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. azelastine hepatitis_b SPECULATIVE 0.079 0.0 mitiglinide Speculative: Review azelastine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. brompheniramine acquired_immunodeficiency_syndrome SPECULATIVE 0.079 0.0 mitiglinide Speculative: Review brompheniramine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clobazam larynx_cancer SPECULATIVE 0.079 0.0 vinblastine Speculative: Review clobazam off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. fludiazepam hepatitis_b SPECULATIVE 0.079 0.0 mitiglinide Speculative: Review fludiazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. telbivudine chronic_kidney_failure SPECULATIVE 0.079 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. methadone brain_cancer SPECULATIVE 0.0789 0.13333333333333333 levorphanol Speculative: Review methadone off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. clocortolone bipolar_disorder SPECULATIVE 0.0789 0.125 floctafenine Speculative: Review clocortolone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. clocortolone endogenous_depression SPECULATIVE 0.0789 0.125 floctafenine Speculative: Review clocortolone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. difluprednate bipolar_disorder SPECULATIVE 0.0789 0.125 floctafenine Speculative: Review difluprednate off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. difluprednate endogenous_depression SPECULATIVE 0.0789 0.125 floctafenine Speculative: Review difluprednate off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. dydrogesterone schizophrenia SPECULATIVE 0.0789 0.1111111111111111 tropicamide Speculative: Review dydrogesterone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. vandetanib osteoarthritis SPECULATIVE 0.0789 0.1 sorafenib Speculative: Review vandetanib off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. testosterone_propionate azoospermia SPECULATIVE 0.0789 0.0967741935483871 procaine Speculative: Review testosterone_propionate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. clocortolone azoospermia SPECULATIVE 0.0789 0.09523809523809523 ospemifene Speculative: Review clocortolone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. difluprednate azoospermia SPECULATIVE 0.0789 0.09523809523809523 ospemifene Speculative: Review difluprednate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. pheniramine nephrolithiasis SPECULATIVE 0.0789 0.09375 oxybuprocaine Speculative: Review pheniramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. amcinonide gilles_de_la_tourette_syndrome SPECULATIVE 0.0789 0.09090909090909091 methadone Speculative: Review amcinonide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fluocinonide glaucoma SPECULATIVE 0.0789 0.08333333333333333 succinylcholine Speculative: Review fluocinonide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. ifenprodil germ_cell_cancer SPECULATIVE 0.0789 0.08333333333333333 toremifene Speculative: Review ifenprodil off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. salicylate-sodium head_and_neck_cancer SPECULATIVE 0.0789 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. salicylate-sodium malignant_glioma SPECULATIVE 0.0789 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenylpropanolamine meningioma SPECULATIVE 0.0789 0.07692307692307693 topotecan Speculative: Review phenylpropanolamine off-target effects vs meningioma mechanism. Phenotypic screen recommended. procainamide alzheimers_disease SPECULATIVE 0.0789 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. cabazitaxel creutzfeldt-jakob_disease SPECULATIVE 0.0789 0.0625 melphalan Speculative: Review cabazitaxel off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. oxaprozin head_and_neck_cancer SPECULATIVE 0.0789 0.0625 epirubicin Speculative: Review oxaprozin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide refractive_error SPECULATIVE 0.0789 0.05 metaraminol Speculative: Review chlordiazepoxide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. bevantolol primary_biliary_cirrhosis SPECULATIVE 0.0789 0.043478260869565216 tioguanine Speculative: Review bevantolol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. meclizine lymphatic_system_cancer SPECULATIVE 0.0789 0.03896103896103896 adenosine_monophosphate Speculative: Review meclizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine celiac_disease SPECULATIVE 0.0789 0.038461538461538464 phenacemide Speculative: Review l-serine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. procainamide intracranial_aneurysm SPECULATIVE 0.0789 0.01639344262295082 dexamethasone Speculative: Review procainamide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. abacavir glaucoma SPECULATIVE 0.0789 0.0 pirbuterol Speculative: Review abacavir off-target effects vs glaucoma mechanism. Phenotypic screen recommended. amcinonide bone_cancer SPECULATIVE 0.0789 0.0 ibandronate Speculative: Review amcinonide off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. folic_acid dilated_cardiomyopathy SPECULATIVE 0.0789 0.0 hydrocortisone Speculative: Review folic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. testolactone bone_cancer SPECULATIVE 0.0789 0.0 ibandronate Speculative: Review testolactone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tetrahydrofolic_acid dilated_cardiomyopathy SPECULATIVE 0.0789 0.0 hydrocortisone Speculative: Review tetrahydrofolic_acid off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. thioproperazine dilated_cardiomyopathy SPECULATIVE 0.0789 0.0 hydrocortisone Speculative: Review thioproperazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. zidovudine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0789 0.0 hydrocortisone Speculative: Review zidovudine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. zidovudine epilepsy_syndrome SPECULATIVE 0.0789 0.0 flurazepam Speculative: Review zidovudine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. zuclopenthixol peripheral_nervous_system_neoplasm SPECULATIVE 0.0788 0.125 tioguanine Speculative: Review zuclopenthixol off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. carbinoxamine ocular_cancer SPECULATIVE 0.0788 0.1111111111111111 drospirenone Speculative: Review carbinoxamine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. trimipramine refractive_error SPECULATIVE 0.0788 0.1111111111111111 metaraminol Speculative: Review trimipramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. estradiol attention_deficit_hyperactivity_disorder SPECULATIVE 0.0788 0.08695652173913043 ospemifene Speculative: Review estradiol off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. bezafibrate germ_cell_cancer SPECULATIVE 0.0788 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. l-dopa malignant_glioma SPECULATIVE 0.0788 0.07692307692307693 progesterone Speculative: Review l-dopa off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. procainamide amyotrophic_lateral_sclerosis SPECULATIVE 0.0788 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. procainamide autistic_disorder SPECULATIVE 0.0788 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. procainamide nicotine_dependence SPECULATIVE 0.0788 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. procainamide parkinsons_disease SPECULATIVE 0.0788 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. olsalazine brain_cancer SPECULATIVE 0.0788 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. olsalazine intracranial_aneurysm SPECULATIVE 0.0788 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. acetophenazine kidney_cancer SPECULATIVE 0.0788 0.05555555555555555 oxybuprocaine Speculative: Review acetophenazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. pirenzepine lymphatic_system_cancer SPECULATIVE 0.0788 0.037037037037037035 riboflavin Speculative: Review pirenzepine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. azacitidine asthma SPECULATIVE 0.0788 0.0 cinolazepam Speculative: Review azacitidine off-target effects vs asthma mechanism. Phenotypic screen recommended. azacitidine conduct_disorder SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review azacitidine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. azacitidine panic_disorder SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review azacitidine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. azacitidine schizophrenia SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review azacitidine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. deferasirox lymphatic_system_cancer SPECULATIVE 0.0788 0.0 vinblastine Speculative: Review deferasirox off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methyldopa alcohol_dependence SPECULATIVE 0.0788 0.0 midazolam Speculative: Review methyldopa off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. regadenoson asthma SPECULATIVE 0.0788 0.0 cinolazepam Speculative: Review regadenoson off-target effects vs asthma mechanism. Phenotypic screen recommended. regadenoson conduct_disorder SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review regadenoson off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. regadenoson panic_disorder SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review regadenoson off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. regadenoson schizophrenia SPECULATIVE 0.0788 0.0 flurazepam Speculative: Review regadenoson off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. ethopropazine head_and_neck_cancer SPECULATIVE 0.0787 0.1111111111111111 epirubicin Speculative: Review ethopropazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ethopropazine malignant_glioma SPECULATIVE 0.0787 0.1111111111111111 epirubicin Speculative: Review ethopropazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methdilazine penile_cancer SPECULATIVE 0.0787 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. norethindrone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0787 0.1 dextromethorphan Speculative: Review norethindrone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. chlorcyclizine alopecia_areata SPECULATIVE 0.0787 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alimemazine head_and_neck_cancer SPECULATIVE 0.0787 0.08333333333333333 podofilox Speculative: Review alimemazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alimemazine malignant_glioma SPECULATIVE 0.0787 0.08333333333333333 vinblastine Speculative: Review alimemazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fluticasone_propionate refractive_error SPECULATIVE 0.0787 0.08333333333333333 chlorphenesin Speculative: Review fluticasone_propionate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methotrimeprazine head_and_neck_cancer SPECULATIVE 0.0787 0.08333333333333333 topotecan Speculative: Review methotrimeprazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methotrimeprazine malignant_glioma SPECULATIVE 0.0787 0.08333333333333333 topotecan Speculative: Review methotrimeprazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cabazitaxel restless_legs_syndrome SPECULATIVE 0.0787 0.07692307692307693 estrone Speculative: Review cabazitaxel off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. pipotiazine larynx_cancer SPECULATIVE 0.0787 0.07142857142857142 podofilox Speculative: Review pipotiazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. gefitinib narcolepsy SPECULATIVE 0.0787 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. dydrogesterone focal_segmental_glomerulosclerosis SPECULATIVE 0.0787 0.06818181818181818 fenoprofen Speculative: Review dydrogesterone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. olsalazine esophageal_cancer SPECULATIVE 0.0787 0.058823529411764705 dexamethasone Speculative: Review olsalazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. acetophenazine nephrolithiasis SPECULATIVE 0.0787 0.05555555555555555 oxybuprocaine Speculative: Review acetophenazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. lacosamide focal_segmental_glomerulosclerosis SPECULATIVE 0.0787 0.04878048780487805 fenoprofen Speculative: Review lacosamide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. methotrexate chronic_kidney_failure SPECULATIVE 0.0787 0.047619047619047616 acetylsalicylic_acid Speculative: Review methotrexate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. oxcarbazepine primary_biliary_cirrhosis SPECULATIVE 0.0787 0.038461538461538464 bezafibrate Speculative: Review oxcarbazepine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. vandetanib refractive_error SPECULATIVE 0.0787 0.038461538461538464 dinoprost_tromethamine Speculative: Review vandetanib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. gefitinib refractive_error SPECULATIVE 0.0787 0.03571428571428571 metaraminol Speculative: Review gefitinib off-target effects vs refractive_error mechanism. Phenotypic screen recommended. metoclopramide brain_cancer SPECULATIVE 0.0787 0.015625 megestrol_acetate Speculative: Review metoclopramide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. metoclopramide intracranial_aneurysm SPECULATIVE 0.0787 0.015625 dexamethasone Speculative: Review metoclopramide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alimemazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0787 0.015151515151515152 adenosine_monophosphate Speculative: Review alimemazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methotrimeprazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0787 0.014925373134328358 adenosine_monophosphate Speculative: Review methotrimeprazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. aspartame focal_segmental_glomerulosclerosis SPECULATIVE 0.0787 0.0 methdilazine Speculative: Review aspartame off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. cinolazepam intracranial_aneurysm SPECULATIVE 0.0787 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diphenylpyraline gestational_diabetes SPECULATIVE 0.0787 0.0 tolazamide Speculative: Review diphenylpyraline off-target effects vs gestational_diabetes mechanism. Phenotypic screen recommended. erlotinib malaria SPECULATIVE 0.0787 0.0 ethotoin Speculative: Review erlotinib off-target effects vs malaria mechanism. Phenotypic screen recommended. toremifene bone_cancer SPECULATIVE 0.0787 0.0 ibandronate Speculative: Review toremifene off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. tranylcypromine brain_cancer SPECULATIVE 0.0787 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tranylcypromine intracranial_aneurysm SPECULATIVE 0.0787 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. spironolactone alzheimers_disease SPECULATIVE 0.0786 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. spironolactone parkinsons_disease SPECULATIVE 0.0786 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. amcinonide chronic_kidney_failure SPECULATIVE 0.0786 0.1 floctafenine Speculative: Review amcinonide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. mesalazine focal_segmental_glomerulosclerosis SPECULATIVE 0.0786 0.1 acetophenazine Speculative: Review mesalazine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. fluoxymesterone focal_segmental_glomerulosclerosis SPECULATIVE 0.0786 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. triflupromazine prostate_cancer SPECULATIVE 0.0786 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. cyclopentolate kidney_cancer SPECULATIVE 0.0786 0.07692307692307693 clofibrate Speculative: Review cyclopentolate off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. isopropamide head_and_neck_cancer SPECULATIVE 0.0786 0.07692307692307693 epirubicin Speculative: Review isopropamide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. isopropamide malignant_glioma SPECULATIVE 0.0786 0.07692307692307693 epirubicin Speculative: Review isopropamide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. l-dopa nephrolithiasis SPECULATIVE 0.0786 0.07692307692307693 progesterone Speculative: Review l-dopa off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. pirenzepine refractive_error SPECULATIVE 0.0786 0.07692307692307693 metaraminol Speculative: Review pirenzepine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. nateglinide type_1_diabetes_mellitus SPECULATIVE 0.0786 0.07142857142857142 methylphenidate Speculative: Review nateglinide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. propericiazine esophageal_cancer SPECULATIVE 0.0786 0.07142857142857142 epirubicin Speculative: Review propericiazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. cortisone_acetate chronic_kidney_failure SPECULATIVE 0.0786 0.06666666666666667 carbinoxamine Speculative: Review cortisone_acetate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. lamivudine crohns_disease SPECULATIVE 0.0786 0.06666666666666667 tioguanine Speculative: Review lamivudine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. amcinonide malaria SPECULATIVE 0.0786 0.0625 talbutal Speculative: Review amcinonide off-target effects vs malaria mechanism. Phenotypic screen recommended. l-serine coronary_artery_disease SPECULATIVE 0.0786 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. amcinonide lymphatic_system_cancer SPECULATIVE 0.0786 0.058823529411764705 vinblastine Speculative: Review amcinonide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. etoricoxib alopecia_areata SPECULATIVE 0.0786 0.05555555555555555 clocortolone Speculative: Review etoricoxib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clozapine brain_cancer SPECULATIVE 0.0786 0.043478260869565216 levorphanol Speculative: Review clozapine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. buclizine brain_cancer SPECULATIVE 0.0786 0.041666666666666664 clodronate Speculative: Review buclizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. buclizine intracranial_aneurysm SPECULATIVE 0.0786 0.041666666666666664 etidronic_acid Speculative: Review buclizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. megestrol_acetate hepatitis_b SPECULATIVE 0.0786 0.02631578947368421 adenosine_triphosphate Speculative: Review megestrol_acetate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alcaftadine head_and_neck_cancer SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. alcaftadine malignant_glioma SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. anileridine head_and_neck_cancer SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review anileridine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. anileridine malignant_glioma SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review anileridine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide head_and_neck_cancer SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide malignant_glioma SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. azacitidine allergic_rhinitis SPECULATIVE 0.0786 0.0 flurazepam Speculative: Review azacitidine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. azacitidine bipolar_disorder SPECULATIVE 0.0786 0.0 flurazepam Speculative: Review azacitidine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. bepotastine head_and_neck_cancer SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review bepotastine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. bepotastine malignant_glioma SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review bepotastine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. bevantolol alopecia_areata SPECULATIVE 0.0786 0.0 hydrocortisone Speculative: Review bevantolol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. regadenoson allergic_rhinitis SPECULATIVE 0.0786 0.0 flurazepam Speculative: Review regadenoson off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. regadenoson bipolar_disorder SPECULATIVE 0.0786 0.0 flurazepam Speculative: Review regadenoson off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. triflupromazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0786 0.0 mitiglinide Speculative: Review triflupromazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. spironolactone autistic_disorder SPECULATIVE 0.0785 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. spironolactone nicotine_dependence SPECULATIVE 0.0785 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. norethindrone panic_disorder SPECULATIVE 0.0785 0.1 levorphanol Speculative: Review norethindrone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. beclomethasone azoospermia SPECULATIVE 0.0785 0.09090909090909091 ospemifene Speculative: Review beclomethasone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. hydrocortisone gilles_de_la_tourette_syndrome SPECULATIVE 0.0785 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. alimemazine nephrolithiasis SPECULATIVE 0.0785 0.08333333333333333 vinblastine Speculative: Review alimemazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. chlorprothixene celiac_disease SPECULATIVE 0.0785 0.08333333333333333 pseudoephedrine Speculative: Review chlorprothixene off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. methotrimeprazine refractive_error SPECULATIVE 0.0785 0.08333333333333333 metaraminol Speculative: Review methotrimeprazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. propericiazine nephrolithiasis SPECULATIVE 0.0785 0.08333333333333333 oxybuprocaine Speculative: Review propericiazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. propericiazine refractive_error SPECULATIVE 0.0785 0.08333333333333333 metaraminol Speculative: Review propericiazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clotrimazole kidney_cancer SPECULATIVE 0.0785 0.07692307692307693 ethinyl_estradiol Speculative: Review clotrimazole off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. cortisone_acetate azoospermia SPECULATIVE 0.0785 0.07142857142857142 aprindine Speculative: Review cortisone_acetate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. procainamide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0785 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. norethindrone membranous_glomerulonephritis SPECULATIVE 0.0785 0.06666666666666667 calcitriol Speculative: Review norethindrone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. propiomazine refractive_error SPECULATIVE 0.0785 0.06666666666666667 sotalol Speculative: Review propiomazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. voacamine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0785 0.06666666666666667 fluticasone_propionate Speculative: Review voacamine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. l-tyrosine hepatitis_b SPECULATIVE 0.0785 0.0625 trandolapril Speculative: Review l-tyrosine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. thiothixene malaria SPECULATIVE 0.0785 0.045454545454545456 modafinil Speculative: Review thiothixene off-target effects vs malaria mechanism. Phenotypic screen recommended. bepridil hepatitis_b SPECULATIVE 0.0785 0.02702702702702703 adenosine_triphosphate Speculative: Review bepridil off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. promethazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0785 0.015384615384615385 adenosine_monophosphate Speculative: Review promethazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alcaftadine kidney_cancer SPECULATIVE 0.0785 0.0 oxybuprocaine Speculative: Review alcaftadine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid alcohol_dependence SPECULATIVE 0.0785 0.0 midazolam Speculative: Review aminosalicylic_acid off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. azacitidine endogenous_depression SPECULATIVE 0.0785 0.0 flurazepam Speculative: Review azacitidine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. droxidopa alcohol_dependence SPECULATIVE 0.0785 0.0 midazolam Speculative: Review droxidopa off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. regadenoson endogenous_depression SPECULATIVE 0.0785 0.0 flurazepam Speculative: Review regadenoson off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. thioproperazine pharynx_cancer SPECULATIVE 0.0784 0.14285714285714285 tioguanine Speculative: Review thioproperazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. thioproperazine penile_cancer SPECULATIVE 0.0784 0.12 oxybuprocaine Speculative: Review thioproperazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. beclomethasone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0784 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. clofedanol brain_cancer SPECULATIVE 0.0784 0.11428571428571428 levorphanol Speculative: Review clofedanol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. progesterone refractive_error SPECULATIVE 0.0784 0.10526315789473684 choline Speculative: Review progesterone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. norethindrone conduct_disorder SPECULATIVE 0.0784 0.1 levorphanol Speculative: Review norethindrone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. chlorprothixene penile_cancer SPECULATIVE 0.0784 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. triflupromazine mediastinal_cancer SPECULATIVE 0.0784 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. estradiol bipolar_disorder SPECULATIVE 0.0784 0.08695652173913043 ospemifene Speculative: Review estradiol off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. beclomethasone refractive_error SPECULATIVE 0.0784 0.08333333333333333 succinylcholine Speculative: Review beclomethasone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. exemestane focal_segmental_glomerulosclerosis SPECULATIVE 0.0784 0.08 dimetacrine Speculative: Review exemestane off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. ethinyl_estradiol autistic_disorder SPECULATIVE 0.0784 0.07692307692307693 l-dopa Speculative: Review ethinyl_estradiol off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. methotrimeprazine brain_cancer SPECULATIVE 0.0784 0.07692307692307693 podofilox Speculative: Review methotrimeprazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methotrimeprazine intracranial_aneurysm SPECULATIVE 0.0784 0.07692307692307693 podofilox Speculative: Review methotrimeprazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fosphenytoin sclerosing_cholangitis SPECULATIVE 0.0784 0.07142857142857142 fludiazepam Speculative: Review fosphenytoin off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. perphenazine esophageal_cancer SPECULATIVE 0.0784 0.07142857142857142 epirubicin Speculative: Review perphenazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. isopropamide lymphatic_system_cancer SPECULATIVE 0.0784 0.04 riboflavin Speculative: Review isopropamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. acepromazine malaria SPECULATIVE 0.0784 0.03571428571428571 modafinil Speculative: Review acepromazine off-target effects vs malaria mechanism. Phenotypic screen recommended. desipramine malaria SPECULATIVE 0.0784 0.022727272727272728 phensuximide Speculative: Review desipramine off-target effects vs malaria mechanism. Phenotypic screen recommended. perphenazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0784 0.014925373134328358 adenosine_monophosphate Speculative: Review perphenazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alcaftadine nephrolithiasis SPECULATIVE 0.0784 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. anisotropine_methylbromide nephrolithiasis SPECULATIVE 0.0784 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. aprindine larynx_cancer SPECULATIVE 0.0784 0.0 vinblastine Speculative: Review aprindine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. bepotastine refractive_error SPECULATIVE 0.0784 0.0 pirbuterol Speculative: Review bepotastine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clofarabine creutzfeldt-jakob_disease SPECULATIVE 0.0784 0.0 loxapine Speculative: Review clofarabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. floxuridine refractive_error SPECULATIVE 0.0784 0.0 pirbuterol Speculative: Review floxuridine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. fludrocortisone bone_cancer SPECULATIVE 0.0784 0.0 ibandronate Speculative: Review fludrocortisone off-target effects vs bone_cancer mechanism. Phenotypic screen recommended. nortriptyline hepatitis_b SPECULATIVE 0.0784 0.0 mitiglinide Speculative: Review nortriptyline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. oxcarbazepine esophageal_cancer SPECULATIVE 0.0784 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. phenindione esophageal_cancer SPECULATIVE 0.0784 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. spironolactone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0783 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. pseudoephedrine duodenum_cancer SPECULATIVE 0.0783 0.10714285714285714 olsalazine Speculative: Review pseudoephedrine off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. pseudoephedrine gallbladder_cancer SPECULATIVE 0.0783 0.10714285714285714 olsalazine Speculative: Review pseudoephedrine off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. diphenhydramine nephrolithiasis SPECULATIVE 0.0783 0.10256410256410256 procaine Speculative: Review diphenhydramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. dydrogesterone creutzfeldt-jakob_disease SPECULATIVE 0.0783 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. norethindrone bipolar_disorder SPECULATIVE 0.0783 0.1 levorphanol Speculative: Review norethindrone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. triflupromazine thymus_cancer SPECULATIVE 0.0783 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. brompheniramine pharynx_cancer SPECULATIVE 0.0783 0.08695652173913043 methadone Speculative: Review brompheniramine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. estradiol endogenous_depression SPECULATIVE 0.0783 0.08695652173913043 ospemifene Speculative: Review estradiol off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. perphenazine kidney_cancer SPECULATIVE 0.0783 0.08333333333333333 oxybuprocaine Speculative: Review perphenazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. propericiazine intracranial_aneurysm SPECULATIVE 0.0783 0.07692307692307693 podofilox Speculative: Review propericiazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. procainamide panic_disorder SPECULATIVE 0.0783 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. testolactone atherosclerosis SPECULATIVE 0.0783 0.05555555555555555 bezafibrate Speculative: Review testolactone off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. vandetanib azoospermia SPECULATIVE 0.0783 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs azoospermia mechanism. Phenotypic screen recommended. methotrimeprazine lymphatic_system_cancer SPECULATIVE 0.0783 0.038461538461538464 riboflavin Speculative: Review methotrimeprazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. metoclopramide membranous_glomerulonephritis SPECULATIVE 0.0783 0.031746031746031744 mitiglinide Speculative: Review metoclopramide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. procainamide head_and_neck_cancer SPECULATIVE 0.0783 0.01818181818181818 vincristine Speculative: Review procainamide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. procainamide malignant_glioma SPECULATIVE 0.0783 0.01818181818181818 vincristine Speculative: Review procainamide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. lacosamide lymphatic_system_cancer SPECULATIVE 0.0783 0.01694915254237288 s-adenosylmethionine Speculative: Review lacosamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. isopropamide dilated_cardiomyopathy SPECULATIVE 0.0783 0.0 hydrocortisone Speculative: Review isopropamide off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. reboxetine dilated_cardiomyopathy SPECULATIVE 0.0783 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fluocinonide epilepsy_syndrome SPECULATIVE 0.0782 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pseudoephedrine liver_cancer SPECULATIVE 0.0782 0.11764705882352941 procaine Speculative: Review pseudoephedrine off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. clomipramine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0782 0.11538461538461539 ephedrine Speculative: Review clomipramine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. norethindrone endogenous_depression SPECULATIVE 0.0782 0.1 levorphanol Speculative: Review norethindrone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. promethazine malignant_glioma SPECULATIVE 0.0782 0.09090909090909091 vinblastine Speculative: Review promethazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. naftifine nephrolithiasis SPECULATIVE 0.0782 0.08823529411764706 procaine Speculative: Review naftifine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. spironolactone chronic_kidney_failure SPECULATIVE 0.0782 0.08695652173913043 acetylsalicylic_acid Speculative: Review spironolactone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. perphenazine nephrolithiasis SPECULATIVE 0.0782 0.08333333333333333 oxybuprocaine Speculative: Review perphenazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. perphenazine refractive_error SPECULATIVE 0.0782 0.08333333333333333 metaraminol Speculative: Review perphenazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. bezafibrate penile_cancer SPECULATIVE 0.0782 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. clomipramine glaucoma SPECULATIVE 0.0782 0.07894736842105263 pseudoephedrine Speculative: Review clomipramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phenylpropanolamine prostate_cancer SPECULATIVE 0.0782 0.07692307692307693 topotecan Speculative: Review phenylpropanolamine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. procainamide asthma SPECULATIVE 0.0782 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs asthma mechanism. Phenotypic screen recommended. procainamide atopic_dermatitis SPECULATIVE 0.0782 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. procainamide conduct_disorder SPECULATIVE 0.0782 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. procainamide hypertension SPECULATIVE 0.0782 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs hypertension mechanism. Phenotypic screen recommended. lamivudine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0782 0.06666666666666667 dopamine Speculative: Review lamivudine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. cabazitaxel epilepsy_syndrome SPECULATIVE 0.0782 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. pargyline meningioma SPECULATIVE 0.0782 0.0625 epirubicin Speculative: Review pargyline off-target effects vs meningioma mechanism. Phenotypic screen recommended. dimetacrine lymphatic_system_cancer SPECULATIVE 0.0782 0.05263157894736842 vinblastine Speculative: Review dimetacrine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-histidine kidney_cancer SPECULATIVE 0.0782 0.043478260869565216 acetaminophen Speculative: Review l-histidine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. vandetanib head_and_neck_cancer SPECULATIVE 0.0782 0.03333333333333333 doxorubicin Speculative: Review vandetanib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. vandetanib malignant_glioma SPECULATIVE 0.0782 0.03333333333333333 doxorubicin Speculative: Review vandetanib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlordiazepoxide esophageal_cancer SPECULATIVE 0.0782 0.03225806451612903 toremifene Speculative: Review chlordiazepoxide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. propericiazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0782 0.014925373134328358 adenosine_monophosphate Speculative: Review propericiazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. alcaftadine celiac_disease SPECULATIVE 0.0782 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. carbinoxamine acquired_immunodeficiency_syndrome SPECULATIVE 0.0782 0.0 mitiglinide Speculative: Review carbinoxamine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. chlordiazepoxide lymphatic_system_cancer SPECULATIVE 0.0782 0.0 vinblastine Speculative: Review chlordiazepoxide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cladribine chronic_kidney_failure SPECULATIVE 0.0782 0.0 cinolazepam Speculative: Review cladribine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. mazindol lymphatic_system_cancer SPECULATIVE 0.0782 0.0 vinblastine Speculative: Review mazindol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. olsalazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0782 0.0 mitiglinide Speculative: Review olsalazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenmetrazine germ_cell_cancer SPECULATIVE 0.0782 0.0 hydrocortisone Speculative: Review phenmetrazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. prednisolone lymphatic_system_cancer SPECULATIVE 0.0782 0.0 vinblastine Speculative: Review prednisolone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tioguanine atherosclerosis SPECULATIVE 0.0782 0.0 fenoprofen Speculative: Review tioguanine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. zidovudine alzheimers_disease SPECULATIVE 0.0782 0.0 flurazepam Speculative: Review zidovudine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. zidovudine parkinsons_disease SPECULATIVE 0.0782 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. beclomethasone panic_disorder SPECULATIVE 0.0781 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. beclomethasone schizophrenia SPECULATIVE 0.0781 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. amcinonide azoospermia SPECULATIVE 0.0781 0.10344827586206896 procaine Speculative: Review amcinonide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. methotrimeprazine meningioma SPECULATIVE 0.0781 0.1 diphenylpyraline Speculative: Review methotrimeprazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. pipotiazine kidney_cancer SPECULATIVE 0.0781 0.09523809523809523 levorphanol Speculative: Review pipotiazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. norethindrone epilepsy_syndrome SPECULATIVE 0.0781 0.09090909090909091 bifonazole Speculative: Review norethindrone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. estradiol epilepsy_syndrome SPECULATIVE 0.0781 0.07692307692307693 bifonazole Speculative: Review estradiol off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. gefitinib ankylosing_spondylitis SPECULATIVE 0.0781 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. perphenazine brain_cancer SPECULATIVE 0.0781 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. perphenazine intracranial_aneurysm SPECULATIVE 0.0781 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. procainamide allergic_rhinitis SPECULATIVE 0.0781 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. procainamide bipolar_disorder SPECULATIVE 0.0781 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. loperamide malaria SPECULATIVE 0.0781 0.06896551724137931 fosphenytoin Speculative: Review loperamide off-target effects vs malaria mechanism. Phenotypic screen recommended. propranolol brain_cancer SPECULATIVE 0.0781 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. propranolol intracranial_aneurysm SPECULATIVE 0.0781 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. drospirenone malaria SPECULATIVE 0.0781 0.05714285714285714 modafinil Speculative: Review drospirenone off-target effects vs malaria mechanism. Phenotypic screen recommended. azelastine primary_biliary_cirrhosis SPECULATIVE 0.0781 0.05 atropine Speculative: Review azelastine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. thioproperazine lymphatic_system_cancer SPECULATIVE 0.0781 0.05 tetrahydrofolic_acid Speculative: Review thioproperazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. propranolol hepatitis_b SPECULATIVE 0.0781 0.043478260869565216 nateglinide Speculative: Review propranolol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. gefitinib type_1_diabetes_mellitus SPECULATIVE 0.0781 0.01818181818181818 cyclandelate Speculative: Review gefitinib off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. l-serine alopecia_areata SPECULATIVE 0.0781 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. deferasirox malaria SPECULATIVE 0.0781 0.0 ethotoin Speculative: Review deferasirox off-target effects vs malaria mechanism. Phenotypic screen recommended. menadione malaria SPECULATIVE 0.0781 0.0 ethotoin Speculative: Review menadione off-target effects vs malaria mechanism. Phenotypic screen recommended. zidovudine amyotrophic_lateral_sclerosis SPECULATIVE 0.0781 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. zidovudine autistic_disorder SPECULATIVE 0.0781 0.0 flurazepam Speculative: Review zidovudine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. zidovudine nicotine_dependence SPECULATIVE 0.0781 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. spironolactone conduct_disorder SPECULATIVE 0.078 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. spironolactone panic_disorder SPECULATIVE 0.078 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. beclomethasone conduct_disorder SPECULATIVE 0.078 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. pseudoephedrine rectum_cancer SPECULATIVE 0.078 0.11538461538461539 crizotinib Speculative: Review pseudoephedrine off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. propranolol lung_cancer SPECULATIVE 0.078 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. propranolol rectum_cancer SPECULATIVE 0.078 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. clocortolone narcolepsy SPECULATIVE 0.078 0.10526315789473684 mefenamic_acid Speculative: Review clocortolone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. difluprednate narcolepsy SPECULATIVE 0.078 0.10526315789473684 mefenamic_acid Speculative: Review difluprednate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. promethazine nephrolithiasis SPECULATIVE 0.078 0.09090909090909091 vinblastine Speculative: Review promethazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. thiothixene brain_cancer SPECULATIVE 0.078 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. thiothixene intracranial_aneurysm SPECULATIVE 0.078 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. norethindrone narcolepsy SPECULATIVE 0.078 0.08 loperamide Speculative: Review norethindrone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. estrone focal_segmental_glomerulosclerosis SPECULATIVE 0.078 0.07692307692307693 calcitriol Speculative: Review estrone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. procainamide endogenous_depression SPECULATIVE 0.078 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. olsalazine head_and_neck_cancer SPECULATIVE 0.078 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. olsalazine malignant_glioma SPECULATIVE 0.078 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dydrogesterone malaria SPECULATIVE 0.078 0.041666666666666664 warfarin Speculative: Review dydrogesterone off-target effects vs malaria mechanism. Phenotypic screen recommended. perphenazine lymphatic_system_cancer SPECULATIVE 0.078 0.038461538461538464 riboflavin Speculative: Review perphenazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mequitazine malaria SPECULATIVE 0.078 0.03571428571428571 modafinil Speculative: Review mequitazine off-target effects vs malaria mechanism. Phenotypic screen recommended. cabazitaxel focal_segmental_glomerulosclerosis SPECULATIVE 0.078 0.02631578947368421 fenoprofen Speculative: Review cabazitaxel off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. procainamide refractive_error SPECULATIVE 0.078 0.017241379310344827 choline Speculative: Review procainamide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. metoclopramide head_and_neck_cancer SPECULATIVE 0.078 0.016666666666666666 topotecan Speculative: Review metoclopramide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. metoclopramide malignant_glioma SPECULATIVE 0.078 0.016666666666666666 topotecan Speculative: Review metoclopramide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pipotiazine acquired_immunodeficiency_syndrome SPECULATIVE 0.078 0.014705882352941176 adenosine_monophosphate Speculative: Review pipotiazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. phenytoin acquired_immunodeficiency_syndrome SPECULATIVE 0.078 0.012345679012345678 adenosine_monophosphate Speculative: Review phenytoin off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. goserelin focal_segmental_glomerulosclerosis SPECULATIVE 0.078 0.0 methdilazine Speculative: Review goserelin off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. lapatinib focal_segmental_glomerulosclerosis SPECULATIVE 0.078 0.0 methdilazine Speculative: Review lapatinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. beclomethasone bipolar_disorder SPECULATIVE 0.0779 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. fluticasone_propionate epilepsy_syndrome SPECULATIVE 0.0779 0.1111111111111111 bifonazole Speculative: Review fluticasone_propionate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. propranolol liver_cancer SPECULATIVE 0.0779 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. methdilazine meningioma SPECULATIVE 0.0779 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. oxaprozin primary_biliary_cirrhosis SPECULATIVE 0.0779 0.08333333333333333 letrozole Speculative: Review oxaprozin off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. promethazine brain_cancer SPECULATIVE 0.0779 0.08333333333333333 epirubicin Speculative: Review promethazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. promethazine intracranial_aneurysm SPECULATIVE 0.0779 0.08333333333333333 epirubicin Speculative: Review promethazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. testolactone gilles_de_la_tourette_syndrome SPECULATIVE 0.0779 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. bezafibrate malignant_mesothelioma SPECULATIVE 0.0779 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. phenacemide type_1_diabetes_mellitus SPECULATIVE 0.0779 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. procainamide migraine SPECULATIVE 0.0779 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs migraine mechanism. Phenotypic screen recommended. procainamide multiple_sclerosis SPECULATIVE 0.0779 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. procainamide psoriasis SPECULATIVE 0.0779 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs psoriasis mechanism. Phenotypic screen recommended. gemcitabine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0779 0.06666666666666667 dyphylline Speculative: Review gemcitabine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. gemcitabine azoospermia SPECULATIVE 0.0779 0.045454545454545456 acetylsalicylic_acid Speculative: Review gemcitabine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. propericiazine malaria SPECULATIVE 0.0779 0.041666666666666664 phensuximide Speculative: Review propericiazine off-target effects vs malaria mechanism. Phenotypic screen recommended. aspartame brain_cancer SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. aspartame intracranial_aneurysm SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clobazam alopecia_areata SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. goserelin gilles_de_la_tourette_syndrome SPECULATIVE 0.0779 0.0 loxapine Speculative: Review goserelin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. indapamide brain_cancer SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review indapamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lapatinib gilles_de_la_tourette_syndrome SPECULATIVE 0.0779 0.0 loxapine Speculative: Review lapatinib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. nitrazepam intracranial_aneurysm SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. propafenone alopecia_areata SPECULATIVE 0.0779 0.0 hydrocortisone Speculative: Review propafenone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. zidovudine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0779 0.0 flurazepam Speculative: Review zidovudine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. thioproperazine salivary_gland_cancer SPECULATIVE 0.0778 0.14285714285714285 tioguanine Speculative: Review thioproperazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. spironolactone bipolar_disorder SPECULATIVE 0.0778 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. beclomethasone endogenous_depression SPECULATIVE 0.0778 0.11764705882352941 floctafenine Speculative: Review beclomethasone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. bezafibrate uterine_cancer SPECULATIVE 0.0778 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. salicylate-sodium thymus_cancer SPECULATIVE 0.0778 0.1 pasireotide Speculative: Review salicylate-sodium off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. reboxetine refractive_error SPECULATIVE 0.0778 0.08333333333333333 practolol Speculative: Review reboxetine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. naftifine intracranial_aneurysm SPECULATIVE 0.0778 0.08 flurandrenolide Speculative: Review naftifine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. propranolol celiac_disease SPECULATIVE 0.0778 0.07142857142857142 tioguanine Speculative: Review propranolol off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. olsalazine nephrolithiasis SPECULATIVE 0.0778 0.06666666666666667 methotrexate Speculative: Review olsalazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. prochlorperazine penile_cancer SPECULATIVE 0.0778 0.05555555555555555 oxybuprocaine Speculative: Review prochlorperazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. phensuximide primary_biliary_cirrhosis SPECULATIVE 0.0778 0.053763440860215055 metoclopramide Speculative: Review phensuximide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. procainamide gout SPECULATIVE 0.0778 0.04477611940298507 sorafenib Speculative: Review procainamide off-target effects vs gout mechanism. Phenotypic screen recommended. metoclopramide refractive_error SPECULATIVE 0.0778 0.016666666666666666 metaraminol Speculative: Review metoclopramide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. acepromazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0778 0.0 mitiglinide Speculative: Review acepromazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. chlorpromazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0778 0.0 mitiglinide Speculative: Review chlorpromazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cinolazepam head_and_neck_cancer SPECULATIVE 0.0778 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. cinolazepam malignant_glioma SPECULATIVE 0.0778 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clomipramine acquired_immunodeficiency_syndrome SPECULATIVE 0.0778 0.0 mitiglinide Speculative: Review clomipramine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednisone acquired_immunodeficiency_syndrome SPECULATIVE 0.0778 0.0 mitiglinide Speculative: Review prednisone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. tranylcypromine head_and_neck_cancer SPECULATIVE 0.0778 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tranylcypromine malignant_glioma SPECULATIVE 0.0778 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. spironolactone endogenous_depression SPECULATIVE 0.0777 0.125 dextromethorphan Speculative: Review spironolactone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. acepromazine sclerosing_cholangitis SPECULATIVE 0.0777 0.1111111111111111 dimetacrine Speculative: Review acepromazine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. dexamethasone parkinsons_disease SPECULATIVE 0.0777 0.1 raloxifene Speculative: Review dexamethasone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. dimetacrine intracranial_aneurysm SPECULATIVE 0.0777 0.09090909090909091 flurandrenolide Speculative: Review dimetacrine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fluocinonide azoospermia SPECULATIVE 0.0777 0.09090909090909091 ospemifene Speculative: Review fluocinonide off-target effects vs azoospermia mechanism. Phenotypic screen recommended. tamoxifen brain_cancer SPECULATIVE 0.0777 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tamoxifen intracranial_aneurysm SPECULATIVE 0.0777 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. brompheniramine salivary_gland_cancer SPECULATIVE 0.0777 0.08695652173913043 methadone Speculative: Review brompheniramine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. l-dopa head_and_neck_cancer SPECULATIVE 0.0777 0.07142857142857142 hydrocortisone Speculative: Review l-dopa off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fluoxymesterone lymphatic_system_cancer SPECULATIVE 0.0777 0.05263157894736842 vinblastine Speculative: Review fluoxymesterone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. buclizine head_and_neck_cancer SPECULATIVE 0.0777 0.041666666666666664 clodronate Speculative: Review buclizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. buclizine malignant_glioma SPECULATIVE 0.0777 0.041666666666666664 etidronic_acid Speculative: Review buclizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenacemide lymphatic_system_cancer SPECULATIVE 0.0777 0.041666666666666664 aciclovir Speculative: Review phenacemide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. norethindrone hepatitis_b SPECULATIVE 0.0777 0.024390243902439025 adenosine_triphosphate Speculative: Review norethindrone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phensuximide brain_cancer SPECULATIVE 0.0777 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phensuximide intracranial_aneurysm SPECULATIVE 0.0777 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. isopropamide acquired_immunodeficiency_syndrome SPECULATIVE 0.0777 0.015151515151515152 adenosine_monophosphate Speculative: Review isopropamide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cabazitaxel lymphatic_system_cancer SPECULATIVE 0.0777 0.0 vinblastine Speculative: Review cabazitaxel off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cinnarizine hepatitis_b SPECULATIVE 0.0777 0.0 mitiglinide Speculative: Review cinnarizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clofarabine epilepsy_syndrome SPECULATIVE 0.0777 0.0 flurazepam Speculative: Review clofarabine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. goserelin type_1_diabetes_mellitus SPECULATIVE 0.0777 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. methylprednisolone lymphatic_system_cancer SPECULATIVE 0.0777 0.0 vinblastine Speculative: Review methylprednisolone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. midazolam esophageal_cancer SPECULATIVE 0.0777 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. paclitaxel lymphatic_system_cancer SPECULATIVE 0.0777 0.0 vinblastine Speculative: Review paclitaxel off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. prochlorperazine atherosclerosis SPECULATIVE 0.0777 0.0 fenoprofen Speculative: Review prochlorperazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. prochlorperazine lymphatic_system_cancer SPECULATIVE 0.0777 0.0 vinblastine Speculative: Review prochlorperazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. temazepam lymphatic_system_cancer SPECULATIVE 0.0777 0.0 vinblastine Speculative: Review temazepam off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. teniposide hepatitis_b SPECULATIVE 0.0777 0.0 mitiglinide Speculative: Review teniposide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. dexamethasone amyotrophic_lateral_sclerosis SPECULATIVE 0.0776 0.1 raloxifene Speculative: Review dexamethasone off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. dydrogesterone epilepsy_syndrome SPECULATIVE 0.0776 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. chlorprothixene meningioma SPECULATIVE 0.0776 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs meningioma mechanism. Phenotypic screen recommended. dimetacrine nephrolithiasis SPECULATIVE 0.0776 0.0967741935483871 procaine Speculative: Review dimetacrine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. fluocinonide refractive_error SPECULATIVE 0.0776 0.08333333333333333 succinylcholine Speculative: Review fluocinonide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. lamivudine metabolic_syndrome_x SPECULATIVE 0.0776 0.08333333333333333 prazosin Speculative: Review lamivudine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. tamoxifen alopecia_areata SPECULATIVE 0.0776 0.07692307692307693 dexamethasone Speculative: Review tamoxifen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. gefitinib creutzfeldt-jakob_disease SPECULATIVE 0.0776 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. cabazitaxel alzheimers_disease SPECULATIVE 0.0776 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. cabazitaxel parkinsons_disease SPECULATIVE 0.0776 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. fluoxymesterone malaria SPECULATIVE 0.0776 0.05555555555555555 talbutal Speculative: Review fluoxymesterone off-target effects vs malaria mechanism. Phenotypic screen recommended. folic_acid alopecia_areata SPECULATIVE 0.0776 0.05555555555555555 estradiol_valeratedienogest Speculative: Review folic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. tetrahydrofolic_acid alopecia_areata SPECULATIVE 0.0776 0.05555555555555555 estradiol_valeratedienogest Speculative: Review tetrahydrofolic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. thiothixene lymphatic_system_cancer SPECULATIVE 0.0776 0.034482758620689655 tetrahydrofolic_acid Speculative: Review thiothixene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pheniramine acquired_immunodeficiency_syndrome SPECULATIVE 0.0776 0.013157894736842105 adenosine_monophosphate Speculative: Review pheniramine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. abacavir refractive_error SPECULATIVE 0.0776 0.0 pirbuterol Speculative: Review abacavir off-target effects vs refractive_error mechanism. Phenotypic screen recommended. cinolazepam nephrolithiasis SPECULATIVE 0.0776 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cyproheptadine penile_cancer SPECULATIVE 0.0776 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. isocarboxazid penile_cancer SPECULATIVE 0.0776 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. zidovudine asthma SPECULATIVE 0.0776 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs asthma mechanism. Phenotypic screen recommended. zidovudine conduct_disorder SPECULATIVE 0.0776 0.0 flurazepam Speculative: Review zidovudine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. zidovudine panic_disorder SPECULATIVE 0.0776 0.0 flurazepam Speculative: Review zidovudine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. zidovudine schizophrenia SPECULATIVE 0.0776 0.0 flurazepam Speculative: Review zidovudine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. diphenylpyraline kidney_cancer SPECULATIVE 0.0775 0.11428571428571428 oxybuprocaine Speculative: Review diphenylpyraline off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. vandetanib psoriatic_arthritis SPECULATIVE 0.0775 0.1 sorafenib Speculative: Review vandetanib off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. thioproperazine brain_cancer SPECULATIVE 0.0775 0.09090909090909091 levorphanol Speculative: Review thioproperazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. alimemazine kidney_cancer SPECULATIVE 0.0775 0.07692307692307693 epirubicin Speculative: Review alimemazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. estradiol alzheimers_disease SPECULATIVE 0.0775 0.07692307692307693 bifonazole Speculative: Review estradiol off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. propericiazine head_and_neck_cancer SPECULATIVE 0.0775 0.07692307692307693 podofilox Speculative: Review propericiazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. propericiazine malignant_glioma SPECULATIVE 0.0775 0.07692307692307693 podofilox Speculative: Review propericiazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. thiothixene alopecia_areata SPECULATIVE 0.0775 0.06451612903225806 levorphanol Speculative: Review thiothixene off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cabazitaxel amyotrophic_lateral_sclerosis SPECULATIVE 0.0775 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. cabazitaxel autistic_disorder SPECULATIVE 0.0775 0.0625 melphalan Speculative: Review cabazitaxel off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. cabazitaxel nicotine_dependence SPECULATIVE 0.0775 0.0625 melphalan Speculative: Review cabazitaxel off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. estradiol narcolepsy SPECULATIVE 0.0775 0.0625 ritodrine Speculative: Review estradiol off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. methotrexate azoospermia SPECULATIVE 0.0775 0.047619047619047616 acetylsalicylic_acid Speculative: Review methotrexate off-target effects vs azoospermia mechanism. Phenotypic screen recommended. flurbiprofen nephrolithiasis SPECULATIVE 0.0775 0.03125 cabazitaxel Speculative: Review flurbiprofen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ifenprodil dilated_cardiomyopathy SPECULATIVE 0.0775 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. levorphanol acquired_immunodeficiency_syndrome SPECULATIVE 0.0775 0.0 mitiglinide Speculative: Review levorphanol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. propiomazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0775 0.0 mitiglinide Speculative: Review propiomazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. raloxifene acquired_immunodeficiency_syndrome SPECULATIVE 0.0775 0.0 mitiglinide Speculative: Review raloxifene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. zidovudine allergic_rhinitis SPECULATIVE 0.0775 0.0 flurazepam Speculative: Review zidovudine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. zidovudine atopic_dermatitis SPECULATIVE 0.0775 0.0 cinolazepam Speculative: Review zidovudine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. betamethasone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0774 0.13043478260869565 ospemifene Speculative: Review betamethasone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. clofedanol kidney_cancer SPECULATIVE 0.0774 0.11428571428571428 levorphanol Speculative: Review clofedanol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. diphenylpyraline nephrolithiasis SPECULATIVE 0.0774 0.11428571428571428 oxybuprocaine Speculative: Review diphenylpyraline off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. beclomethasone narcolepsy SPECULATIVE 0.0774 0.1 mefenamic_acid Speculative: Review beclomethasone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. triflupromazine melanoma SPECULATIVE 0.0774 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs melanoma mechanism. Phenotypic screen recommended. brompheniramine ocular_cancer SPECULATIVE 0.0774 0.08695652173913043 methadone Speculative: Review brompheniramine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. estradiol autistic_disorder SPECULATIVE 0.0774 0.07692307692307693 bifonazole Speculative: Review estradiol off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. folic_acid azoospermia SPECULATIVE 0.0774 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs azoospermia mechanism. Phenotypic screen recommended. tetrahydrofolic_acid azoospermia SPECULATIVE 0.0774 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs azoospermia mechanism. Phenotypic screen recommended. procainamide osteoarthritis SPECULATIVE 0.0774 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. erlotinib hematologic_cancer SPECULATIVE 0.0774 0.05714285714285714 ponatinib Speculative: Review erlotinib off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. l-tyrosine malaria SPECULATIVE 0.0774 0.045454545454545456 sulfapyridine Speculative: Review l-tyrosine off-target effects vs malaria mechanism. Phenotypic screen recommended. l-histidine gilles_de_la_tourette_syndrome SPECULATIVE 0.0774 0.03333333333333333 trifluoperazine Speculative: Review l-histidine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. ethopropazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0774 0.028169014084507043 adenosine_monophosphate Speculative: Review ethopropazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. abacavir celiac_disease SPECULATIVE 0.0774 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. zidovudine bipolar_disorder SPECULATIVE 0.0774 0.0 flurazepam Speculative: Review zidovudine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. zidovudine endogenous_depression SPECULATIVE 0.0774 0.0 flurazepam Speculative: Review zidovudine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. fluocinonide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0773 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. fluticasone_propionate alzheimers_disease SPECULATIVE 0.0773 0.1111111111111111 bifonazole Speculative: Review fluticasone_propionate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. bezafibrate meningioma SPECULATIVE 0.0773 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs meningioma mechanism. Phenotypic screen recommended. fluticasone_propionate focal_segmental_glomerulosclerosis SPECULATIVE 0.0773 0.06666666666666667 floctafenine Speculative: Review fluticasone_propionate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. propranolol head_and_neck_cancer SPECULATIVE 0.0773 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. propranolol malignant_glioma SPECULATIVE 0.0773 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. l-serine thyroid_cancer SPECULATIVE 0.0773 0.06349206349206349 liothyronine Speculative: Review l-serine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. cabazitaxel attention_deficit_hyperactivity_disorder SPECULATIVE 0.0773 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. clotrimazole type_1_diabetes_mellitus SPECULATIVE 0.0773 0.0625 tolbutamide Speculative: Review clotrimazole off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. tetrahydrofolic_acid malaria SPECULATIVE 0.0773 0.03571428571428571 sulfapyridine Speculative: Review tetrahydrofolic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. oxaprozin hepatitis_b SPECULATIVE 0.0773 0.023255813953488372 adenosine_triphosphate Speculative: Review oxaprozin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. thioproperazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0773 0.014492753623188406 adenosine_monophosphate Speculative: Review thioproperazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. vandetanib focal_segmental_glomerulosclerosis SPECULATIVE 0.0773 0.014492753623188406 promazine Speculative: Review vandetanib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. abacavir chronic_kidney_failure SPECULATIVE 0.0773 0.0 cinolazepam Speculative: Review abacavir off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. chlorthalidone germ_cell_cancer SPECULATIVE 0.0773 0.0 hydrocortisone Speculative: Review chlorthalidone off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. goserelin glaucoma SPECULATIVE 0.0773 0.0 pirbuterol Speculative: Review goserelin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. l-phenylalanine germ_cell_cancer SPECULATIVE 0.0773 0.0 hydrocortisone Speculative: Review l-phenylalanine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. orciprenaline germ_cell_cancer SPECULATIVE 0.0773 0.0 hydrocortisone Speculative: Review orciprenaline off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. terbutaline germ_cell_cancer SPECULATIVE 0.0773 0.0 hydrocortisone Speculative: Review terbutaline off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. tranylcypromine chronic_kidney_failure SPECULATIVE 0.0773 0.0 cinolazepam Speculative: Review tranylcypromine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. thioproperazine peripheral_nervous_system_neoplasm SPECULATIVE 0.0772 0.14285714285714285 tioguanine Speculative: Review thioproperazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. bezafibrate testicular_cancer SPECULATIVE 0.0772 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs testicular_cancer mechanism. Phenotypic screen recommended. bezafibrate vaginal_cancer SPECULATIVE 0.0772 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs vaginal_cancer mechanism. Phenotypic screen recommended. bezafibrate vulva_cancer SPECULATIVE 0.0772 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate autistic_disorder SPECULATIVE 0.0772 0.1111111111111111 bifonazole Speculative: Review fluticasone_propionate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. exemestane narcolepsy SPECULATIVE 0.0772 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. amcinonide membranous_glomerulonephritis SPECULATIVE 0.0772 0.1 floctafenine Speculative: Review amcinonide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. methotrimeprazine primary_biliary_cirrhosis SPECULATIVE 0.0772 0.1 cyclandelate Speculative: Review methotrimeprazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. lamivudine obesity SPECULATIVE 0.0772 0.08333333333333333 metformin Speculative: Review lamivudine off-target effects vs obesity mechanism. Phenotypic screen recommended. thiothixene head_and_neck_cancer SPECULATIVE 0.0772 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. thiothixene malignant_glioma SPECULATIVE 0.0772 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. perphenazine head_and_neck_cancer SPECULATIVE 0.0772 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. perphenazine malignant_glioma SPECULATIVE 0.0772 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acepromazine celiac_disease SPECULATIVE 0.0772 0.07407407407407407 diphenhydramine Speculative: Review acepromazine off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. propranolol kidney_cancer SPECULATIVE 0.0772 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. thioproperazine larynx_cancer SPECULATIVE 0.0772 0.06666666666666667 podofilox Speculative: Review thioproperazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. raloxifene membranous_glomerulonephritis SPECULATIVE 0.0772 0.058823529411764705 toremifene Speculative: Review raloxifene off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. testolactone lymphatic_system_cancer SPECULATIVE 0.0772 0.05 vinblastine Speculative: Review testolactone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. metoclopramide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0772 0.04 bethanidine Speculative: Review metoclopramide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. phenytoin lymphatic_system_cancer SPECULATIVE 0.0772 0.037037037037037035 vinblastine Speculative: Review phenytoin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. procainamide chronic_kidney_failure SPECULATIVE 0.0772 0.014084507042253521 trimipramine Speculative: Review procainamide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. diphenhydramine acquired_immunodeficiency_syndrome SPECULATIVE 0.0772 0.012195121951219513 adenosine_monophosphate Speculative: Review diphenhydramine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. azelastine alopecia_areata SPECULATIVE 0.0772 0.0 hydrocortisone Speculative: Review azelastine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fosphenytoin lymphatic_system_cancer SPECULATIVE 0.0772 0.0 vinblastine Speculative: Review fosphenytoin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. gefitinib alopecia_areata SPECULATIVE 0.0772 0.0 hydrocortisone Speculative: Review gefitinib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mesalazine alcohol_dependence SPECULATIVE 0.0772 0.0 midazolam Speculative: Review mesalazine off-target effects vs alcohol_dependence mechanism. Phenotypic screen recommended. phenindamine lymphatic_system_cancer SPECULATIVE 0.0772 0.0 vinblastine Speculative: Review phenindamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. betamethasone schizophrenia SPECULATIVE 0.0771 0.13043478260869565 ospemifene Speculative: Review betamethasone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. bezafibrate vascular_cancer SPECULATIVE 0.0771 0.1111111111111111 clonidine Speculative: Review bezafibrate off-target effects vs vascular_cancer mechanism. Phenotypic screen recommended. thiothixene kidney_cancer SPECULATIVE 0.0771 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. medrysone glaucoma SPECULATIVE 0.0771 0.07692307692307693 dinoprost_tromethamine Speculative: Review medrysone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clocortolone gilles_de_la_tourette_syndrome SPECULATIVE 0.0771 0.07142857142857142 flunarizine Speculative: Review clocortolone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. difluprednate gilles_de_la_tourette_syndrome SPECULATIVE 0.0771 0.07142857142857142 flunarizine Speculative: Review difluprednate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. procainamide obesity SPECULATIVE 0.0771 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs obesity mechanism. Phenotypic screen recommended. propranolol nephrolithiasis SPECULATIVE 0.0771 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. erlotinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0771 0.05263157894736842 doxycycline Speculative: Review erlotinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. dydrogesterone larynx_cancer SPECULATIVE 0.0771 0.05 teniposide Speculative: Review dydrogesterone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. lamivudine azoospermia SPECULATIVE 0.0771 0.05 methamphetamine Speculative: Review lamivudine off-target effects vs azoospermia mechanism. Phenotypic screen recommended. promazine lymphatic_system_cancer SPECULATIVE 0.0771 0.045454545454545456 vinblastine Speculative: Review promazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clozapine type_1_diabetes_mellitus SPECULATIVE 0.0771 0.03125 bezafibrate Speculative: Review clozapine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fosphenytoin type_1_diabetes_mellitus SPECULATIVE 0.0771 0.029411764705882353 bezafibrate Speculative: Review fosphenytoin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. l-serine chronic_kidney_failure SPECULATIVE 0.0771 0.028985507246376812 tiaprofenic_acid Speculative: Review l-serine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. naftifine acquired_immunodeficiency_syndrome SPECULATIVE 0.0771 0.013157894736842105 adenosine_monophosphate Speculative: Review naftifine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. atropine acquired_immunodeficiency_syndrome SPECULATIVE 0.0771 0.0 mitiglinide Speculative: Review atropine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. chlorprothixene acquired_immunodeficiency_syndrome SPECULATIVE 0.0771 0.0 mitiglinide Speculative: Review chlorprothixene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. clofarabine alzheimers_disease SPECULATIVE 0.0771 0.0 flurazepam Speculative: Review clofarabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. clofarabine parkinsons_disease SPECULATIVE 0.0771 0.0 cinolazepam Speculative: Review clofarabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. ethinyl_estradiol hepatitis_b SPECULATIVE 0.0771 0.0 mitiglinide Speculative: Review ethinyl_estradiol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin brain_cancer SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. goserelin intracranial_aneurysm SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. oxcarbazepine brain_cancer SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. oxcarbazepine intracranial_aneurysm SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenindione brain_cancer SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenindione intracranial_aneurysm SPECULATIVE 0.0771 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tolterodine hepatitis_b SPECULATIVE 0.0771 0.0 mitiglinide Speculative: Review tolterodine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vismodegib gilles_de_la_tourette_syndrome SPECULATIVE 0.0771 0.0 loxapine Speculative: Review vismodegib off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fluocinonide conduct_disorder SPECULATIVE 0.077 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. fluocinonide panic_disorder SPECULATIVE 0.077 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. fluocinonide schizophrenia SPECULATIVE 0.077 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. propranolol ulcerative_colitis SPECULATIVE 0.077 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. dydrogesterone parkinsons_disease SPECULATIVE 0.077 0.1 carbinoxamine Speculative: Review dydrogesterone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. spironolactone azoospermia SPECULATIVE 0.077 0.08695652173913043 acetylsalicylic_acid Speculative: Review spironolactone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. chlorcyclizine esophageal_cancer SPECULATIVE 0.077 0.08333333333333333 toremifene Speculative: Review chlorcyclizine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. promethazine head_and_neck_cancer SPECULATIVE 0.077 0.08333333333333333 epirubicin Speculative: Review promethazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. thiothixene nephrolithiasis SPECULATIVE 0.077 0.08333333333333333 alendronate Speculative: Review thiothixene off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. chlorcyclizine larynx_cancer SPECULATIVE 0.077 0.07142857142857142 alendronate Speculative: Review chlorcyclizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. estradiol creutzfeldt-jakob_disease SPECULATIVE 0.077 0.06666666666666667 raloxifene Speculative: Review estradiol off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. procainamide systemic_lupus_erythematosus SPECULATIVE 0.077 0.06557377049180328 erlotinib Speculative: Review procainamide off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. cabazitaxel conduct_disorder SPECULATIVE 0.077 0.0625 melphalan Speculative: Review cabazitaxel off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. cabazitaxel panic_disorder SPECULATIVE 0.077 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. cabazitaxel schizophrenia SPECULATIVE 0.077 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. folic_acid focal_segmental_glomerulosclerosis SPECULATIVE 0.077 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid focal_segmental_glomerulosclerosis SPECULATIVE 0.077 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. salsalate alopecia_areata SPECULATIVE 0.077 0.05263157894736842 cyproterone_acetate Speculative: Review salsalate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. testolactone malaria SPECULATIVE 0.077 0.05263157894736842 talbutal Speculative: Review testolactone off-target effects vs malaria mechanism. Phenotypic screen recommended. aspartame head_and_neck_cancer SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aspartame malignant_glioma SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review aspartame off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cabazitaxel malaria SPECULATIVE 0.077 0.0 ethotoin Speculative: Review cabazitaxel off-target effects vs malaria mechanism. Phenotypic screen recommended. clobazam esophageal_cancer SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. clofarabine amyotrophic_lateral_sclerosis SPECULATIVE 0.077 0.0 cinolazepam Speculative: Review clofarabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. clofarabine autistic_disorder SPECULATIVE 0.077 0.0 flurazepam Speculative: Review clofarabine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. clofarabine nicotine_dependence SPECULATIVE 0.077 0.0 cinolazepam Speculative: Review clofarabine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. levonordefrin malaria SPECULATIVE 0.077 0.0 ethotoin Speculative: Review levonordefrin off-target effects vs malaria mechanism. Phenotypic screen recommended. methotrexate malaria SPECULATIVE 0.077 0.0 ethotoin Speculative: Review methotrexate off-target effects vs malaria mechanism. Phenotypic screen recommended. methylprednisolone malaria SPECULATIVE 0.077 0.0 ethotoin Speculative: Review methylprednisolone off-target effects vs malaria mechanism. Phenotypic screen recommended. nitrazepam head_and_neck_cancer SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. nitrazepam malignant_glioma SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. paclitaxel malaria SPECULATIVE 0.077 0.0 ethotoin Speculative: Review paclitaxel off-target effects vs malaria mechanism. Phenotypic screen recommended. procainamide type_1_diabetes_mellitus SPECULATIVE 0.077 0.0 hydrocortisone Speculative: Review procainamide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. propranolol uterine_cancer SPECULATIVE 0.0769 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs uterine_cancer mechanism. Phenotypic screen recommended. gefitinib systemic_lupus_erythematosus SPECULATIVE 0.0769 0.08333333333333333 erlotinib Speculative: Review gefitinib off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. promethazine kidney_cancer SPECULATIVE 0.0769 0.08333333333333333 epirubicin Speculative: Review promethazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. naftifine head_and_neck_cancer SPECULATIVE 0.0769 0.08 flurandrenolide Speculative: Review naftifine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. naftifine malignant_glioma SPECULATIVE 0.0769 0.08 flurandrenolide Speculative: Review naftifine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. gefitinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0769 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. gefitinib epilepsy_syndrome SPECULATIVE 0.0769 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tiaprofenic_acid brain_cancer SPECULATIVE 0.0769 0.058823529411764705 cyproterone_acetate Speculative: Review tiaprofenic_acid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tiaprofenic_acid intracranial_aneurysm SPECULATIVE 0.0769 0.058823529411764705 prednicarbate Speculative: Review tiaprofenic_acid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. paclitaxel narcolepsy SPECULATIVE 0.0769 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. norethindrone chronic_kidney_failure SPECULATIVE 0.0769 0.05 clotrimazole Speculative: Review norethindrone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. hydrocortisone lymphatic_system_cancer SPECULATIVE 0.0769 0.045454545454545456 vinblastine Speculative: Review hydrocortisone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fosphenytoin glaucoma SPECULATIVE 0.0769 0.030303030303030304 pseudoephedrine Speculative: Review fosphenytoin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phensuximide head_and_neck_cancer SPECULATIVE 0.0769 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phensuximide malignant_glioma SPECULATIVE 0.0769 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fluocinonide bipolar_disorder SPECULATIVE 0.0768 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. testolactone azoospermia SPECULATIVE 0.0768 0.09375 procaine Speculative: Review testolactone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. dimetacrine head_and_neck_cancer SPECULATIVE 0.0768 0.09090909090909091 flurandrenolide Speculative: Review dimetacrine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. dimetacrine malignant_glioma SPECULATIVE 0.0768 0.09090909090909091 flurandrenolide Speculative: Review dimetacrine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. norethindrone schizophrenia SPECULATIVE 0.0768 0.09090909090909091 bifonazole Speculative: Review norethindrone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. tamoxifen head_and_neck_cancer SPECULATIVE 0.0768 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tamoxifen malignant_glioma SPECULATIVE 0.0768 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylate-sodium germ_cell_cancer SPECULATIVE 0.0768 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. hydrocortisone focal_segmental_glomerulosclerosis SPECULATIVE 0.0768 0.08 floctafenine Speculative: Review hydrocortisone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. estradiol conduct_disorder SPECULATIVE 0.0768 0.07692307692307693 bifonazole Speculative: Review estradiol off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. lamivudine hypertension SPECULATIVE 0.0768 0.07692307692307693 trimetrexate Speculative: Review lamivudine off-target effects vs hypertension mechanism. Phenotypic screen recommended. l-tyrosine brain_cancer SPECULATIVE 0.0768 0.075 ethinyl_estradiol Speculative: Review l-tyrosine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. carbidopa focal_segmental_glomerulosclerosis SPECULATIVE 0.0768 0.06521739130434782 fenoprofen Speculative: Review carbidopa off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. acepromazine glaucoma SPECULATIVE 0.0768 0.0625 sotalol Speculative: Review acepromazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cabazitaxel bipolar_disorder SPECULATIVE 0.0768 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. dydrogesterone glaucoma SPECULATIVE 0.0768 0.0625 dinoprost_tromethamine Speculative: Review dydrogesterone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. zuclopenthixol glaucoma SPECULATIVE 0.0768 0.0625 metaraminol Speculative: Review zuclopenthixol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. folic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0768 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. prednisone glaucoma SPECULATIVE 0.0768 0.058823529411764705 methacholine Speculative: Review prednisone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. tetrahydrofolic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0768 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. gemcitabine crohns_disease SPECULATIVE 0.0768 0.05 sorafenib Speculative: Review gemcitabine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. pipotiazine malaria SPECULATIVE 0.0768 0.04081632653061224 phensuximide Speculative: Review pipotiazine off-target effects vs malaria mechanism. Phenotypic screen recommended. promazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0768 0.013157894736842105 adenosine_monophosphate Speculative: Review promazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. anisindione primary_biliary_cirrhosis SPECULATIVE 0.0768 0.0 hydrocortisone Speculative: Review anisindione off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. clofarabine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0768 0.0 flurazepam Speculative: Review clofarabine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. cyproheptadine meningioma SPECULATIVE 0.0768 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs meningioma mechanism. Phenotypic screen recommended. isocarboxazid meningioma SPECULATIVE 0.0768 0.0 hydrocortisone Speculative: Review isocarboxazid off-target effects vs meningioma mechanism. Phenotypic screen recommended. nitrazepam nephrolithiasis SPECULATIVE 0.0768 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenformin penile_cancer SPECULATIVE 0.0768 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. fluocinonide endogenous_depression SPECULATIVE 0.0767 0.11764705882352941 floctafenine Speculative: Review fluocinonide off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. fluticasone_propionate conduct_disorder SPECULATIVE 0.0767 0.1111111111111111 bifonazole Speculative: Review fluticasone_propionate off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. progesterone chronic_kidney_failure SPECULATIVE 0.0767 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. tamoxifen kidney_cancer SPECULATIVE 0.0767 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. ethopropazine alopecia_areata SPECULATIVE 0.0767 0.08 levorphanol Speculative: Review ethopropazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. aminosalicylic_acid intracranial_aneurysm SPECULATIVE 0.0767 0.07692307692307693 procarbazine Speculative: Review aminosalicylic_acid off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. amcinonide larynx_cancer SPECULATIVE 0.0767 0.06666666666666667 pantoprazole Speculative: Review amcinonide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenacemide esophageal_cancer SPECULATIVE 0.0767 0.06451612903225806 melphalan Speculative: Review phenacemide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. bromfenac nephrolithiasis SPECULATIVE 0.0767 0.0625 hydrocortisone Speculative: Review bromfenac off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cabazitaxel endogenous_depression SPECULATIVE 0.0767 0.0625 suprofen Speculative: Review cabazitaxel off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. tamoxifen lymphatic_system_cancer SPECULATIVE 0.0767 0.043478260869565216 riboflavin Speculative: Review tamoxifen off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tamoxifen acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.015625 adenosine_monophosphate Speculative: Review tamoxifen off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cortisone_acetate acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review cortisone_acetate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. ethopropazine dilated_cardiomyopathy SPECULATIVE 0.0767 0.0 hydrocortisone Speculative: Review ethopropazine off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. fluorometholone acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review fluorometholone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. flurandrenolide acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review flurandrenolide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. l-tryptophan lymphatic_system_cancer SPECULATIVE 0.0767 0.0 vinblastine Speculative: Review l-tryptophan off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. loteprednol acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review loteprednol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. mequitazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review mequitazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednicarbate acquired_immunodeficiency_syndrome SPECULATIVE 0.0767 0.0 mitiglinide Speculative: Review prednicarbate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. spironolactone epilepsy_syndrome SPECULATIVE 0.0766 0.1111111111111111 bifonazole Speculative: Review spironolactone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. thiothixene germ_cell_cancer SPECULATIVE 0.0766 0.09375 toremifene Speculative: Review thiothixene off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. cortisone_acetate schizophrenia SPECULATIVE 0.0766 0.09090909090909091 hydromorphone Speculative: Review cortisone_acetate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. prednisone narcolepsy SPECULATIVE 0.0766 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. tamoxifen nephrolithiasis SPECULATIVE 0.0766 0.09090909090909091 epirubicin Speculative: Review tamoxifen off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. methotrimeprazine germ_cell_cancer SPECULATIVE 0.0766 0.08333333333333333 topotecan Speculative: Review methotrimeprazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. rimexolone glaucoma SPECULATIVE 0.0766 0.07692307692307693 succinylcholine Speculative: Review rimexolone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. triflupromazine penile_cancer SPECULATIVE 0.0766 0.07142857142857142 ifenprodil Speculative: Review triflupromazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. beclomethasone gilles_de_la_tourette_syndrome SPECULATIVE 0.0766 0.06666666666666667 flunarizine Speculative: Review beclomethasone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. trifluoperazine esophageal_cancer SPECULATIVE 0.0766 0.06666666666666667 mesalazine Speculative: Review trifluoperazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. vandetanib coronary_artery_disease SPECULATIVE 0.0766 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. hydrocortisone malaria SPECULATIVE 0.0766 0.047619047619047616 talbutal Speculative: Review hydrocortisone off-target effects vs malaria mechanism. Phenotypic screen recommended. procainamide membranous_glomerulonephritis SPECULATIVE 0.0766 0.019417475728155338 s-adenosylmethionine Speculative: Review procainamide off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. clodronate alopecia_areata SPECULATIVE 0.0766 0.0 hydrocortisone Speculative: Review clodronate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. dextroamphetamine alopecia_areata SPECULATIVE 0.0766 0.0 hydrocortisone Speculative: Review dextroamphetamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. entecavir alopecia_areata SPECULATIVE 0.0766 0.0 hydrocortisone Speculative: Review entecavir off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. estradiol hepatitis_b SPECULATIVE 0.0766 0.0 mitiglinide Speculative: Review estradiol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. estradiol_valeratedienogest hepatitis_b SPECULATIVE 0.0766 0.0 mitiglinide Speculative: Review estradiol_valeratedienogest off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. mepenzolate hepatitis_b SPECULATIVE 0.0766 0.0 mitiglinide Speculative: Review mepenzolate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. nortriptyline alopecia_areata SPECULATIVE 0.0766 0.0 hydrocortisone Speculative: Review nortriptyline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pentostatin crohns_disease SPECULATIVE 0.0766 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. podofilox hepatitis_b SPECULATIVE 0.0766 0.0 mitiglinide Speculative: Review podofilox off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fluocinonide narcolepsy SPECULATIVE 0.0765 0.1 mefenamic_acid Speculative: Review fluocinonide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. chlorcyclizine brain_cancer SPECULATIVE 0.0765 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. chlorcyclizine intracranial_aneurysm SPECULATIVE 0.0765 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diphenhydramine intracranial_aneurysm SPECULATIVE 0.0765 0.08333333333333333 amcinonide Speculative: Review diphenhydramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. ifenprodil primary_biliary_cirrhosis SPECULATIVE 0.0765 0.08333333333333333 toremifene Speculative: Review ifenprodil off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. bezafibrate mediastinal_cancer SPECULATIVE 0.0765 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. bezafibrate prostate_cancer SPECULATIVE 0.0765 0.08 fenoprofen Speculative: Review bezafibrate off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. lamivudine migraine SPECULATIVE 0.0765 0.07692307692307693 trimetrexate Speculative: Review lamivudine off-target effects vs migraine mechanism. Phenotypic screen recommended. pipotiazine glaucoma SPECULATIVE 0.0765 0.07692307692307693 metaraminol Speculative: Review pipotiazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. estradiol nicotine_dependence SPECULATIVE 0.0765 0.07142857142857142 amphetamine Speculative: Review estradiol off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. procainamide type_2_diabetes_mellitus SPECULATIVE 0.0765 0.06944444444444445 meclizine Speculative: Review procainamide off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. erlotinib nicotine_dependence SPECULATIVE 0.0765 0.06666666666666667 naloxone Speculative: Review erlotinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. l-serine pancreatitis SPECULATIVE 0.0765 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs pancreatitis mechanism. Phenotypic screen recommended. warfarin larynx_cancer SPECULATIVE 0.0765 0.058823529411764705 procarbazine Speculative: Review warfarin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. prochlorperazine meningioma SPECULATIVE 0.0765 0.05263157894736842 loperamide Speculative: Review prochlorperazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. procainamide ankylosing_spondylitis SPECULATIVE 0.0765 0.04838709677419355 flurazepam Speculative: Review procainamide off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. gefitinib head_and_neck_cancer SPECULATIVE 0.0765 0.017543859649122806 topotecan Speculative: Review gefitinib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. gefitinib malignant_glioma SPECULATIVE 0.0765 0.017543859649122806 topotecan Speculative: Review gefitinib off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide germ_cell_cancer SPECULATIVE 0.0765 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. benzphetamine larynx_cancer SPECULATIVE 0.0765 0.0 vinblastine Speculative: Review benzphetamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clofarabine asthma SPECULATIVE 0.0765 0.0 cinolazepam Speculative: Review clofarabine off-target effects vs asthma mechanism. Phenotypic screen recommended. clofarabine conduct_disorder SPECULATIVE 0.0765 0.0 flurazepam Speculative: Review clofarabine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. clofarabine panic_disorder SPECULATIVE 0.0765 0.0 flurazepam Speculative: Review clofarabine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. clofarabine schizophrenia SPECULATIVE 0.0765 0.0 flurazepam Speculative: Review clofarabine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. l-serine larynx_cancer SPECULATIVE 0.0765 0.0 vinblastine Speculative: Review l-serine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. salicylic_acid larynx_cancer SPECULATIVE 0.0765 0.0 vinblastine Speculative: Review salicylic_acid off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. tolterodine larynx_cancer SPECULATIVE 0.0765 0.0 vinblastine Speculative: Review tolterodine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. propranolol vulva_cancer SPECULATIVE 0.0764 0.1111111111111111 naftifine Speculative: Review propranolol off-target effects vs vulva_cancer mechanism. Phenotypic screen recommended. mesalazine chronic_kidney_failure SPECULATIVE 0.0764 0.1 salsalate Speculative: Review mesalazine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. fluoxymesterone chronic_kidney_failure SPECULATIVE 0.0764 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. triflupromazine thyroid_cancer SPECULATIVE 0.0764 0.09090909090909091 isopropamide Speculative: Review triflupromazine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. bezafibrate thymus_cancer SPECULATIVE 0.0764 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. phenytoin glaucoma SPECULATIVE 0.0764 0.07317073170731707 pseudoephedrine Speculative: Review phenytoin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. aminosalicylic_acid gilles_de_la_tourette_syndrome SPECULATIVE 0.0764 0.07142857142857142 trifluoperazine Speculative: Review aminosalicylic_acid off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. betamethasone glaucoma SPECULATIVE 0.0764 0.07142857142857142 succinylcholine Speculative: Review betamethasone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. procainamide systemic_scleroderma SPECULATIVE 0.0764 0.06557377049180328 erlotinib Speculative: Review procainamide off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. loxapine type_1_diabetes_mellitus SPECULATIVE 0.0764 0.038461538461538464 benzatropine Speculative: Review loxapine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. clofarabine allergic_rhinitis SPECULATIVE 0.0764 0.0 flurazepam Speculative: Review clofarabine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. clotrimazole acquired_immunodeficiency_syndrome SPECULATIVE 0.0764 0.0 mitiglinide Speculative: Review clotrimazole off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. midazolam intracranial_aneurysm SPECULATIVE 0.0764 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenylbutazone dilated_cardiomyopathy SPECULATIVE 0.0764 0.0 hydrocortisone Speculative: Review phenylbutazone off-target effects vs dilated_cardiomyopathy mechanism. Phenotypic screen recommended. loperamide type_1_diabetes_mellitus SPECULATIVE 0.0763 0.09090909090909091 hydrocortisone Speculative: Review loperamide off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. gefitinib osteoporosis SPECULATIVE 0.0763 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. gefitinib psoriasis SPECULATIVE 0.0763 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs psoriasis mechanism. Phenotypic screen recommended. gefitinib alzheimers_disease SPECULATIVE 0.0763 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. methdilazine larynx_cancer SPECULATIVE 0.0763 0.05 vinblastine Speculative: Review methdilazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. chlorpromazine larynx_cancer SPECULATIVE 0.0763 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. loxapine brain_cancer SPECULATIVE 0.0763 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. loxapine intracranial_aneurysm SPECULATIVE 0.0763 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. warfarin lymphatic_system_cancer SPECULATIVE 0.0763 0.037037037037037035 riboflavin Speculative: Review warfarin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phensuximide refractive_error SPECULATIVE 0.0763 0.020833333333333332 clonidine Speculative: Review phensuximide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vinblastine hepatitis_b SPECULATIVE 0.0763 0.01639344262295082 adenosine_monophosphate Speculative: Review vinblastine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clobazam type_1_diabetes_mellitus SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. clofarabine bipolar_disorder SPECULATIVE 0.0763 0.0 flurazepam Speculative: Review clofarabine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. goserelin head_and_neck_cancer SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. goserelin malignant_glioma SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. oxcarbazepine head_and_neck_cancer SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. oxcarbazepine malignant_glioma SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenindione head_and_neck_cancer SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenindione malignant_glioma SPECULATIVE 0.0763 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pirenzepine primary_biliary_cirrhosis SPECULATIVE 0.0762 0.08695652173913043 toremifene Speculative: Review pirenzepine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. acepromazine malignant_mesothelioma SPECULATIVE 0.0762 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. gefitinib systemic_scleroderma SPECULATIVE 0.0762 0.08333333333333333 erlotinib Speculative: Review gefitinib off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. salicylate-sodium penile_cancer SPECULATIVE 0.0762 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. exemestane chronic_kidney_failure SPECULATIVE 0.0762 0.08 dimetacrine Speculative: Review exemestane off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. lamivudine autistic_disorder SPECULATIVE 0.0762 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. lamivudine nicotine_dependence SPECULATIVE 0.0762 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. gefitinib autistic_disorder SPECULATIVE 0.0762 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. gefitinib nicotine_dependence SPECULATIVE 0.0762 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. gefitinib parkinsons_disease SPECULATIVE 0.0762 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. drospirenone larynx_cancer SPECULATIVE 0.0762 0.0625 docetaxel Speculative: Review drospirenone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. levonordefrin prostate_cancer SPECULATIVE 0.0762 0.047619047619047616 exemestane Speculative: Review levonordefrin off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. procainamide germ_cell_cancer SPECULATIVE 0.0762 0.01818181818181818 vincristine Speculative: Review procainamide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. amitriptyline lymphatic_system_cancer SPECULATIVE 0.0762 0.0 vinblastine Speculative: Review amitriptyline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clofarabine endogenous_depression SPECULATIVE 0.0762 0.0 flurazepam Speculative: Review clofarabine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. diethylstilbestrol lymphatic_system_cancer SPECULATIVE 0.0762 0.0 vinblastine Speculative: Review diethylstilbestrol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. goserelin kidney_cancer SPECULATIVE 0.0762 0.0 oxybuprocaine Speculative: Review goserelin off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. pentostatin idiopathic_pulmonary_fibrosis SPECULATIVE 0.0762 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. folic_acid atopic_dermatitis SPECULATIVE 0.0761 0.1 sirolimus Speculative: Review folic_acid off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid atopic_dermatitis SPECULATIVE 0.0761 0.1 sirolimus Speculative: Review tetrahydrofolic_acid off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. drospirenone focal_segmental_glomerulosclerosis SPECULATIVE 0.0761 0.07692307692307693 bumetanide Speculative: Review drospirenone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. triflupromazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0761 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. gefitinib amyotrophic_lateral_sclerosis SPECULATIVE 0.0761 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. testosterone_propionate focal_segmental_glomerulosclerosis SPECULATIVE 0.0761 0.06521739130434782 fenoprofen Speculative: Review testosterone_propionate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. docetaxel creutzfeldt-jakob_disease SPECULATIVE 0.0761 0.041666666666666664 pseudoephedrine Speculative: Review docetaxel off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. testosterone_propionate malaria SPECULATIVE 0.0761 0.038461538461538464 warfarin Speculative: Review testosterone_propionate off-target effects vs malaria mechanism. Phenotypic screen recommended. l-serine membranous_glomerulonephritis SPECULATIVE 0.0761 0.03125 mitiglinide Speculative: Review l-serine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. abacavir azoospermia SPECULATIVE 0.0761 0.0 phenylbutazone Speculative: Review abacavir off-target effects vs azoospermia mechanism. Phenotypic screen recommended. goserelin nephrolithiasis SPECULATIVE 0.0761 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. goserelin refractive_error SPECULATIVE 0.0761 0.0 pirbuterol Speculative: Review goserelin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. oxcarbazepine nephrolithiasis SPECULATIVE 0.0761 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. oxcarbazepine refractive_error SPECULATIVE 0.0761 0.0 pirbuterol Speculative: Review oxcarbazepine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenindione nephrolithiasis SPECULATIVE 0.0761 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenindione refractive_error SPECULATIVE 0.0761 0.0 pirbuterol Speculative: Review phenindione off-target effects vs refractive_error mechanism. Phenotypic screen recommended. rimexolone epilepsy_syndrome SPECULATIVE 0.076 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. exemestane creutzfeldt-jakob_disease SPECULATIVE 0.076 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. folic_acid hypertension SPECULATIVE 0.076 0.1 trimetrexate Speculative: Review folic_acid off-target effects vs hypertension mechanism. Phenotypic screen recommended. tetrahydrofolic_acid hypertension SPECULATIVE 0.076 0.1 trimetrexate Speculative: Review tetrahydrofolic_acid off-target effects vs hypertension mechanism. Phenotypic screen recommended. phenylbutazone glaucoma SPECULATIVE 0.076 0.09375 pseudoephedrine Speculative: Review phenylbutazone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. prednisone membranous_glomerulonephritis SPECULATIVE 0.076 0.07142857142857142 dimetacrine Speculative: Review prednisone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. fluocinonide gilles_de_la_tourette_syndrome SPECULATIVE 0.076 0.06666666666666667 flunarizine Speculative: Review fluocinonide off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. fluoxymesterone larynx_cancer SPECULATIVE 0.076 0.0625 methimazole Speculative: Review fluoxymesterone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clotrimazole intracranial_aneurysm SPECULATIVE 0.076 0.058823529411764705 dexamethasone Speculative: Review clotrimazole off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. tiaprofenic_acid head_and_neck_cancer SPECULATIVE 0.076 0.058823529411764705 prednicarbate Speculative: Review tiaprofenic_acid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tiaprofenic_acid malignant_glioma SPECULATIVE 0.076 0.058823529411764705 prednicarbate Speculative: Review tiaprofenic_acid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. carbidopa hepatitis_b SPECULATIVE 0.076 0.045454545454545456 mitiglinide Speculative: Review carbidopa off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. meclizine larynx_cancer SPECULATIVE 0.076 0.041666666666666664 clodronate Speculative: Review meclizine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methotrimeprazine malaria SPECULATIVE 0.076 0.029411764705882353 modafinil Speculative: Review methotrimeprazine off-target effects vs malaria mechanism. Phenotypic screen recommended. antazoline alopecia_areata SPECULATIVE 0.076 0.0 hydrocortisone Speculative: Review antazoline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. betamethasone acquired_immunodeficiency_syndrome SPECULATIVE 0.076 0.0 mitiglinide Speculative: Review betamethasone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. deferasirox hepatitis_b SPECULATIVE 0.076 0.0 mitiglinide Speculative: Review deferasirox off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diphenidol alopecia_areata SPECULATIVE 0.076 0.0 hydrocortisone Speculative: Review diphenidol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. isoprenaline malaria SPECULATIVE 0.076 0.0 ethotoin Speculative: Review isoprenaline off-target effects vs malaria mechanism. Phenotypic screen recommended. l-tryptophan malaria SPECULATIVE 0.076 0.0 ethotoin Speculative: Review l-tryptophan off-target effects vs malaria mechanism. Phenotypic screen recommended. trifluoperazine acquired_immunodeficiency_syndrome SPECULATIVE 0.076 0.0 mitiglinide Speculative: Review trifluoperazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. zidovudine restless_legs_syndrome SPECULATIVE 0.076 0.0 flurazepam Speculative: Review zidovudine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. drospirenone panic_disorder SPECULATIVE 0.0759 0.13333333333333333 dienestrol Speculative: Review drospirenone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. drospirenone schizophrenia SPECULATIVE 0.0759 0.13333333333333333 dienestrol Speculative: Review drospirenone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. phenytoin idiopathic_pulmonary_fibrosis SPECULATIVE 0.0759 0.10344827586206896 ephedrine Speculative: Review phenytoin off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. salicylate-sodium thyroid_cancer SPECULATIVE 0.0759 0.1 pasireotide Speculative: Review salicylate-sodium off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. rimexolone azoospermia SPECULATIVE 0.0759 0.08695652173913043 ospemifene Speculative: Review rimexolone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. propericiazine penile_cancer SPECULATIVE 0.0759 0.08333333333333333 oxybuprocaine Speculative: Review propericiazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. testolactone chronic_kidney_failure SPECULATIVE 0.0759 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. aminosalicylic_acid head_and_neck_cancer SPECULATIVE 0.0759 0.07692307692307693 procarbazine Speculative: Review aminosalicylic_acid off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid malignant_glioma SPECULATIVE 0.0759 0.07692307692307693 procarbazine Speculative: Review aminosalicylic_acid off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. l-tyrosine kidney_cancer SPECULATIVE 0.0759 0.075 ethinyl_estradiol Speculative: Review l-tyrosine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. thioproperazine esophageal_cancer SPECULATIVE 0.0759 0.07142857142857142 topotecan Speculative: Review thioproperazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. gefitinib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0759 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. lamivudine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0759 0.06666666666666667 dopamine Speculative: Review lamivudine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. pipotiazine esophageal_cancer SPECULATIVE 0.0759 0.06666666666666667 epirubicin Speculative: Review pipotiazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. ifenprodil type_1_diabetes_mellitus SPECULATIVE 0.0759 0.05555555555555555 benzatropine Speculative: Review ifenprodil off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. pirenzepine alopecia_areata SPECULATIVE 0.0759 0.045454545454545456 levorphanol Speculative: Review pirenzepine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. thioproperazine malaria SPECULATIVE 0.0759 0.04 phensuximide Speculative: Review thioproperazine off-target effects vs malaria mechanism. Phenotypic screen recommended. metoclopramide germ_cell_cancer SPECULATIVE 0.0759 0.016666666666666666 topotecan Speculative: Review metoclopramide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. l-serine brain_cancer SPECULATIVE 0.0759 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-serine intracranial_aneurysm SPECULATIVE 0.0759 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alcaftadine penile_cancer SPECULATIVE 0.0759 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide penile_cancer SPECULATIVE 0.0759 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. clobazam glaucoma SPECULATIVE 0.0759 0.0 pirbuterol Speculative: Review clobazam off-target effects vs glaucoma mechanism. Phenotypic screen recommended. cyproheptadine gout SPECULATIVE 0.0759 0.0 methdilazine Speculative: Review cyproheptadine off-target effects vs gout mechanism. Phenotypic screen recommended. goserelin celiac_disease SPECULATIVE 0.0759 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. mepenzolate larynx_cancer SPECULATIVE 0.0759 0.0 vinblastine Speculative: Review mepenzolate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenformin meningioma SPECULATIVE 0.0759 0.0 hydrocortisone Speculative: Review phenformin off-target effects vs meningioma mechanism. Phenotypic screen recommended. phenylbutazone kidney_cancer SPECULATIVE 0.0758 0.1 quinacrine Speculative: Review phenylbutazone off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. fentanyl kidney_cancer SPECULATIVE 0.0758 0.09375 oxybuprocaine Speculative: Review fentanyl off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. promazine nephrolithiasis SPECULATIVE 0.0758 0.08823529411764706 procaine Speculative: Review promazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. gefitinib osteoarthritis SPECULATIVE 0.0758 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. medrysone refractive_error SPECULATIVE 0.0758 0.07692307692307693 dinoprost_tromethamine Speculative: Review medrysone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. modafinil hepatitis_b SPECULATIVE 0.0758 0.07142857142857142 alvimopan Speculative: Review modafinil off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. triflupromazine meningioma SPECULATIVE 0.0758 0.07142857142857142 ifenprodil Speculative: Review triflupromazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. lamivudine epilepsy_syndrome SPECULATIVE 0.0758 0.06666666666666667 triamterene Speculative: Review lamivudine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. methyldopa focal_segmental_glomerulosclerosis SPECULATIVE 0.0758 0.06666666666666667 fenoprofen Speculative: Review methyldopa off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. cabazitaxel chronic_kidney_failure SPECULATIVE 0.0758 0.02631578947368421 fenoprofen Speculative: Review cabazitaxel off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. goserelin chronic_kidney_failure SPECULATIVE 0.0758 0.0 cinolazepam Speculative: Review goserelin off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. fenoprofen kidney_cancer SPECULATIVE 0.0757 0.10526315789473684 etoricoxib Speculative: Review fenoprofen off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. folic_acid migraine SPECULATIVE 0.0757 0.1 trimetrexate Speculative: Review folic_acid off-target effects vs migraine mechanism. Phenotypic screen recommended. tetrahydrofolic_acid migraine SPECULATIVE 0.0757 0.1 trimetrexate Speculative: Review tetrahydrofolic_acid off-target effects vs migraine mechanism. Phenotypic screen recommended. fentanyl nephrolithiasis SPECULATIVE 0.0757 0.09375 oxybuprocaine Speculative: Review fentanyl off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. loperamide intracranial_aneurysm SPECULATIVE 0.0757 0.09090909090909091 hydrocortisone Speculative: Review loperamide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chlorcyclizine malignant_glioma SPECULATIVE 0.0757 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. pipotiazine nephrolithiasis SPECULATIVE 0.0757 0.08 oxybuprocaine Speculative: Review pipotiazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. droxidopa chronic_kidney_failure SPECULATIVE 0.0757 0.07692307692307693 salsalate Speculative: Review droxidopa off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. lamivudine panic_disorder SPECULATIVE 0.0757 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. lamivudine schizophrenia SPECULATIVE 0.0757 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. gefitinib panic_disorder SPECULATIVE 0.0757 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. estradiol parkinsons_disease SPECULATIVE 0.0757 0.06666666666666667 raloxifene Speculative: Review estradiol off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. procainamide rheumatoid_arthritis SPECULATIVE 0.0757 0.06557377049180328 erlotinib Speculative: Review procainamide off-target effects vs rheumatoid_arthritis mechanism. Phenotypic screen recommended. fentanyl lymphatic_system_cancer SPECULATIVE 0.0757 0.047619047619047616 aciclovir Speculative: Review fentanyl off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. perphenazine malaria SPECULATIVE 0.0757 0.029411764705882353 modafinil Speculative: Review perphenazine off-target effects vs malaria mechanism. Phenotypic screen recommended. anisotropine_methylbromide malignant_mesothelioma SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. cinolazepam germ_cell_cancer SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. clobazam brain_cancer SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. clobazam intracranial_aneurysm SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cyclizine lymphatic_system_cancer SPECULATIVE 0.0757 0.0 vinblastine Speculative: Review cyclizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cyproheptadine coronary_artery_disease SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review cyproheptadine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. indecainide lymphatic_system_cancer SPECULATIVE 0.0757 0.0 vinblastine Speculative: Review indecainide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. loxapine lymphatic_system_cancer SPECULATIVE 0.0757 0.0 vinblastine Speculative: Review loxapine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methdilazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0757 0.0 mitiglinide Speculative: Review methdilazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. nortriptyline esophageal_cancer SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review nortriptyline off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. procarbazine lymphatic_system_cancer SPECULATIVE 0.0757 0.0 vinblastine Speculative: Review procarbazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. telbivudine crohns_disease SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. tranylcypromine germ_cell_cancer SPECULATIVE 0.0757 0.0 hydrocortisone Speculative: Review tranylcypromine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fludrocortisone epilepsy_syndrome SPECULATIVE 0.0756 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. diphenhydramine head_and_neck_cancer SPECULATIVE 0.0756 0.08333333333333333 amcinonide Speculative: Review diphenhydramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diphenhydramine malignant_glioma SPECULATIVE 0.0756 0.08333333333333333 amcinonide Speculative: Review diphenhydramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. perphenazine penile_cancer SPECULATIVE 0.0756 0.08333333333333333 oxybuprocaine Speculative: Review perphenazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. promazine intracranial_aneurysm SPECULATIVE 0.0756 0.08 flurandrenolide Speculative: Review promazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. olsalazine prostate_cancer SPECULATIVE 0.0756 0.07692307692307693 pemetrexed Speculative: Review olsalazine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. lamivudine conduct_disorder SPECULATIVE 0.0756 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. gefitinib asthma SPECULATIVE 0.0756 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs asthma mechanism. Phenotypic screen recommended. gefitinib atopic_dermatitis SPECULATIVE 0.0756 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. gefitinib conduct_disorder SPECULATIVE 0.0756 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. gefitinib hypertension SPECULATIVE 0.0756 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs hypertension mechanism. Phenotypic screen recommended. methotrexate parkinsons_disease SPECULATIVE 0.0756 0.06666666666666667 olsalazine Speculative: Review methotrexate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. lamivudine creutzfeldt-jakob_disease SPECULATIVE 0.0756 0.0625 desipramine Speculative: Review lamivudine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. isoprenaline prostate_cancer SPECULATIVE 0.0756 0.058823529411764705 exemestane Speculative: Review isoprenaline off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. testosterone_propionate larynx_cancer SPECULATIVE 0.0756 0.05 docetaxel Speculative: Review testosterone_propionate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. loxapine esophageal_cancer SPECULATIVE 0.0756 0.030303030303030304 toremifene Speculative: Review loxapine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. pheniramine lymphatic_system_cancer SPECULATIVE 0.0756 0.02857142857142857 riboflavin Speculative: Review pheniramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. vandetanib membranous_glomerulonephritis SPECULATIVE 0.0756 0.02830188679245283 adenosine_monophosphate Speculative: Review vandetanib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. benzatropine hepatitis_b SPECULATIVE 0.0756 0.02631578947368421 adenosine_triphosphate Speculative: Review benzatropine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. megestrol_acetate malaria SPECULATIVE 0.0756 0.0 ethotoin Speculative: Review megestrol_acetate off-target effects vs malaria mechanism. Phenotypic screen recommended. norethindrone malaria SPECULATIVE 0.0756 0.0 ethotoin Speculative: Review norethindrone off-target effects vs malaria mechanism. Phenotypic screen recommended. pentostatin narcolepsy SPECULATIVE 0.0756 0.0 phenylbutazone Speculative: Review pentostatin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. estrone epilepsy_syndrome SPECULATIVE 0.0755 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. clocortolone alzheimers_disease SPECULATIVE 0.0755 0.10526315789473684 mefenamic_acid Speculative: Review clocortolone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. clocortolone parkinsons_disease SPECULATIVE 0.0755 0.10526315789473684 mefenamic_acid Speculative: Review clocortolone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. difluprednate alzheimers_disease SPECULATIVE 0.0755 0.10526315789473684 mefenamic_acid Speculative: Review difluprednate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. difluprednate parkinsons_disease SPECULATIVE 0.0755 0.10526315789473684 mefenamic_acid Speculative: Review difluprednate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. methotrimeprazine pharynx_cancer SPECULATIVE 0.0755 0.1 diphenylpyraline Speculative: Review methotrimeprazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. gefitinib rheumatoid_arthritis SPECULATIVE 0.0755 0.08333333333333333 erlotinib Speculative: Review gefitinib off-target effects vs rheumatoid_arthritis mechanism. Phenotypic screen recommended. lamivudine bipolar_disorder SPECULATIVE 0.0755 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. gefitinib allergic_rhinitis SPECULATIVE 0.0755 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. gefitinib bipolar_disorder SPECULATIVE 0.0755 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. medrysone gilles_de_la_tourette_syndrome SPECULATIVE 0.0755 0.06666666666666667 flunarizine Speculative: Review medrysone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. methotrexate amyotrophic_lateral_sclerosis SPECULATIVE 0.0755 0.06666666666666667 olsalazine Speculative: Review methotrexate off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. acepromazine refractive_error SPECULATIVE 0.0755 0.0625 sotalol Speculative: Review acepromazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. dydrogesterone refractive_error SPECULATIVE 0.0755 0.0625 dinoprost_tromethamine Speculative: Review dydrogesterone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. zuclopenthixol refractive_error SPECULATIVE 0.0755 0.0625 metaraminol Speculative: Review zuclopenthixol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vandetanib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0755 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. loxapine head_and_neck_cancer SPECULATIVE 0.0755 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. loxapine malignant_glioma SPECULATIVE 0.0755 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. l-serine germ_cell_cancer SPECULATIVE 0.0755 0.029411764705882353 melphalan Speculative: Review l-serine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. moricizine hepatitis_b SPECULATIVE 0.0755 0.025 adenosine_triphosphate Speculative: Review moricizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. midazolam head_and_neck_cancer SPECULATIVE 0.0755 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. midazolam malignant_glioma SPECULATIVE 0.0755 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acepromazine sarcoma SPECULATIVE 0.0754 0.1111111111111111 dimetacrine Speculative: Review acepromazine off-target effects vs sarcoma mechanism. Phenotypic screen recommended. spironolactone schizophrenia SPECULATIVE 0.0754 0.1111111111111111 bifonazole Speculative: Review spironolactone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. clocortolone autistic_disorder SPECULATIVE 0.0754 0.10526315789473684 mefenamic_acid Speculative: Review clocortolone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. clocortolone nicotine_dependence SPECULATIVE 0.0754 0.10526315789473684 mefenamic_acid Speculative: Review clocortolone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. difluprednate autistic_disorder SPECULATIVE 0.0754 0.10526315789473684 mefenamic_acid Speculative: Review difluprednate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. difluprednate nicotine_dependence SPECULATIVE 0.0754 0.10526315789473684 mefenamic_acid Speculative: Review difluprednate off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. trifluoperazine primary_biliary_cirrhosis SPECULATIVE 0.0754 0.1 atropine Speculative: Review trifluoperazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. prednisone creutzfeldt-jakob_disease SPECULATIVE 0.0754 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. propranolol pharynx_cancer SPECULATIVE 0.0754 0.09090909090909091 apraclonidine Speculative: Review propranolol off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. fludrocortisone gilles_de_la_tourette_syndrome SPECULATIVE 0.0754 0.08333333333333333 carbinoxamine Speculative: Review fludrocortisone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. salicylate-sodium meningioma SPECULATIVE 0.0754 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs meningioma mechanism. Phenotypic screen recommended. norethindrone amyotrophic_lateral_sclerosis SPECULATIVE 0.0754 0.08 loperamide Speculative: Review norethindrone off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. vandetanib metabolic_syndrome_x SPECULATIVE 0.0754 0.07407407407407407 captopril Speculative: Review vandetanib off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. cortisone_acetate narcolepsy SPECULATIVE 0.0754 0.07142857142857142 salicylic_acid Speculative: Review cortisone_acetate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. lamivudine endogenous_depression SPECULATIVE 0.0754 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. pipotiazine intracranial_aneurysm SPECULATIVE 0.0754 0.07142857142857142 podofilox Speculative: Review pipotiazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. gefitinib endogenous_depression SPECULATIVE 0.0754 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. droxidopa hepatitis_b SPECULATIVE 0.0754 0.047619047619047616 trandolapril Speculative: Review droxidopa off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. methotrimeprazine alopecia_areata SPECULATIVE 0.0754 0.047619047619047616 levorphanol Speculative: Review methotrimeprazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. sorafenib focal_segmental_glomerulosclerosis SPECULATIVE 0.0754 0.024390243902439025 clofedanol Speculative: Review sorafenib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. azatadine alopecia_areata SPECULATIVE 0.0754 0.0 hydrocortisone Speculative: Review azatadine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. benzphetamine alopecia_areata SPECULATIVE 0.0754 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlordiazepoxide hepatitis_b SPECULATIVE 0.0754 0.0 mitiglinide Speculative: Review chlordiazepoxide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. estrone acquired_immunodeficiency_syndrome SPECULATIVE 0.0754 0.0 mitiglinide Speculative: Review estrone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednisolone hepatitis_b SPECULATIVE 0.0754 0.0 mitiglinide Speculative: Review prednisolone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. tolterodine alopecia_areata SPECULATIVE 0.0754 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. drospirenone narcolepsy SPECULATIVE 0.0753 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. exemestane epilepsy_syndrome SPECULATIVE 0.0753 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. medrysone epilepsy_syndrome SPECULATIVE 0.0753 0.10526315789473684 tolmetin Speculative: Review medrysone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. fenoprofen type_1_diabetes_mellitus SPECULATIVE 0.0753 0.09090909090909091 bromfenac Speculative: Review fenoprofen off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. hydrocortisone azoospermia SPECULATIVE 0.0753 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. trimipramine kidney_cancer SPECULATIVE 0.0753 0.08695652173913043 voacamine Speculative: Review trimipramine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. propericiazine germ_cell_cancer SPECULATIVE 0.0753 0.07692307692307693 podofilox Speculative: Review propericiazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. rimexolone refractive_error SPECULATIVE 0.0753 0.07692307692307693 succinylcholine Speculative: Review rimexolone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. gefitinib multiple_sclerosis SPECULATIVE 0.0753 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. phenacemide kidney_cancer SPECULATIVE 0.0753 0.06896551724137931 tolazamide Speculative: Review phenacemide off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. methyldopa hepatitis_b SPECULATIVE 0.0753 0.047619047619047616 mitiglinide Speculative: Review methyldopa off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. vandetanib narcolepsy SPECULATIVE 0.0753 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. carbidopa larynx_cancer SPECULATIVE 0.0753 0.045454545454545456 procarbazine Speculative: Review carbidopa off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. loxapine nephrolithiasis SPECULATIVE 0.0753 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. naftifine lymphatic_system_cancer SPECULATIVE 0.0753 0.02857142857142857 riboflavin Speculative: Review naftifine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine kidney_cancer SPECULATIVE 0.0753 0.01694915254237288 acetaminophen Speculative: Review l-serine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. acetophenazine lymphatic_system_cancer SPECULATIVE 0.0753 0.0 vinblastine Speculative: Review acetophenazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. aprindine glaucoma SPECULATIVE 0.0753 0.0 pirbuterol Speculative: Review aprindine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. deferasirox larynx_cancer SPECULATIVE 0.0753 0.0 vinblastine Speculative: Review deferasirox off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. doxepin lymphatic_system_cancer SPECULATIVE 0.0753 0.0 vinblastine Speculative: Review doxepin off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-histidine lymphatic_system_cancer SPECULATIVE 0.0753 0.0 vinblastine Speculative: Review l-histidine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. midazolam nephrolithiasis SPECULATIVE 0.0753 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. mitiglinide larynx_cancer SPECULATIVE 0.0753 0.0 vinblastine Speculative: Review mitiglinide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. telbivudine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0753 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. methdilazine pharynx_cancer SPECULATIVE 0.0752 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. loperamide nephrolithiasis SPECULATIVE 0.0752 0.09375 procaine Speculative: Review loperamide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. trimipramine nephrolithiasis SPECULATIVE 0.0752 0.08695652173913043 voacamine Speculative: Review trimipramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. pipotiazine refractive_error SPECULATIVE 0.0752 0.07692307692307693 metaraminol Speculative: Review pipotiazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. betamethasone refractive_error SPECULATIVE 0.0752 0.07142857142857142 succinylcholine Speculative: Review betamethasone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. gefitinib migraine SPECULATIVE 0.0752 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs migraine mechanism. Phenotypic screen recommended. dydrogesterone membranous_glomerulonephritis SPECULATIVE 0.0752 0.06818181818181818 fenoprofen Speculative: Review dydrogesterone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. propranolol germ_cell_cancer SPECULATIVE 0.0752 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. betamethasone gilles_de_la_tourette_syndrome SPECULATIVE 0.0752 0.06060606060606061 methadone Speculative: Review betamethasone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. l-serine psoriasis SPECULATIVE 0.0752 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs psoriasis mechanism. Phenotypic screen recommended. l-serine ulcerative_colitis SPECULATIVE 0.0752 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs ulcerative_colitis mechanism. Phenotypic screen recommended. clotrimazole head_and_neck_cancer SPECULATIVE 0.0752 0.058823529411764705 dexamethasone Speculative: Review clotrimazole off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clotrimazole malignant_glioma SPECULATIVE 0.0752 0.058823529411764705 dexamethasone Speculative: Review clotrimazole off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. tiaprofenic_acid nephrolithiasis SPECULATIVE 0.0752 0.05555555555555555 vindesine Speculative: Review tiaprofenic_acid off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. droxidopa larynx_cancer SPECULATIVE 0.0752 0.05 procarbazine Speculative: Review droxidopa off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methadone acquired_immunodeficiency_syndrome SPECULATIVE 0.0752 0.029411764705882353 nateglinide Speculative: Review methadone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. entecavir focal_segmental_glomerulosclerosis SPECULATIVE 0.0752 0.0 methdilazine Speculative: Review entecavir off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. rimexolone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0751 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. thiothixene pharynx_cancer SPECULATIVE 0.0751 0.1111111111111111 clonidine Speculative: Review thiothixene off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. propranolol thyroid_cancer SPECULATIVE 0.0751 0.09090909090909091 apraclonidine Speculative: Review propranolol off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. perphenazine germ_cell_cancer SPECULATIVE 0.0751 0.07692307692307693 podofilox Speculative: Review perphenazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. warfarin glaucoma SPECULATIVE 0.0751 0.06896551724137931 pseudoephedrine Speculative: Review warfarin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fluticasone_propionate chronic_kidney_failure SPECULATIVE 0.0751 0.06666666666666667 floctafenine Speculative: Review fluticasone_propionate off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. l-serine pancreatic_cancer SPECULATIVE 0.0751 0.05970149253731343 pargyline Speculative: Review l-serine off-target effects vs pancreatic_cancer mechanism. Phenotypic screen recommended. progesterone larynx_cancer SPECULATIVE 0.0751 0.058823529411764705 vincristine Speculative: Review progesterone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. perphenazine alopecia_areata SPECULATIVE 0.0751 0.047619047619047616 levorphanol Speculative: Review perphenazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. gefitinib coronary_artery_disease SPECULATIVE 0.0751 0.04225352112676056 pheniramine Speculative: Review gefitinib off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. lamivudine chronic_kidney_failure SPECULATIVE 0.0751 0.03571428571428571 acetylsalicylic_acid Speculative: Review lamivudine off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. alcaftadine meningioma SPECULATIVE 0.0751 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs meningioma mechanism. Phenotypic screen recommended. anisotropine_methylbromide meningioma SPECULATIVE 0.0751 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs meningioma mechanism. Phenotypic screen recommended. cinolazepam penile_cancer SPECULATIVE 0.0751 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. docetaxel gilles_de_la_tourette_syndrome SPECULATIVE 0.0751 0.0 loxapine Speculative: Review docetaxel off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. doxorubicin gilles_de_la_tourette_syndrome SPECULATIVE 0.0751 0.0 loxapine Speculative: Review doxorubicin off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. entecavir gilles_de_la_tourette_syndrome SPECULATIVE 0.0751 0.0 loxapine Speculative: Review entecavir off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. drospirenone autistic_disorder SPECULATIVE 0.075 0.125 tropicamide Speculative: Review drospirenone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. drospirenone nicotine_dependence SPECULATIVE 0.075 0.125 tropicamide Speculative: Review drospirenone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. mesalazine membranous_glomerulonephritis SPECULATIVE 0.075 0.1 acetophenazine Speculative: Review mesalazine off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. fluoxymesterone membranous_glomerulonephritis SPECULATIVE 0.075 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. vandetanib obesity SPECULATIVE 0.075 0.07407407407407407 captopril Speculative: Review vandetanib off-target effects vs obesity mechanism. Phenotypic screen recommended. clotrimazole nephrolithiasis SPECULATIVE 0.075 0.058823529411764705 dexamethasone Speculative: Review clotrimazole off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. folic_acid refractive_error SPECULATIVE 0.075 0.058823529411764705 clonidine Speculative: Review folic_acid off-target effects vs refractive_error mechanism. Phenotypic screen recommended. tetrahydrofolic_acid refractive_error SPECULATIVE 0.075 0.058823529411764705 clonidine Speculative: Review tetrahydrofolic_acid off-target effects vs refractive_error mechanism. Phenotypic screen recommended. prednisone refractive_error SPECULATIVE 0.075 0.05555555555555555 chlorphenesin Speculative: Review prednisone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. paclitaxel epilepsy_syndrome SPECULATIVE 0.075 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tetrahydrofolic_acid glaucoma SPECULATIVE 0.075 0.05263157894736842 olsalazine Speculative: Review tetrahydrofolic_acid off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fludrocortisone lymphatic_system_cancer SPECULATIVE 0.075 0.047619047619047616 vinblastine Speculative: Review fludrocortisone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine head_and_neck_cancer SPECULATIVE 0.075 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. l-serine malignant_glioma SPECULATIVE 0.075 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. gefitinib brain_cancer SPECULATIVE 0.075 0.0 hydrocortisone Speculative: Review gefitinib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. gefitinib intracranial_aneurysm SPECULATIVE 0.075 0.0 hydrocortisone Speculative: Review gefitinib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. nortriptyline type_1_diabetes_mellitus SPECULATIVE 0.075 0.0 hydrocortisone Speculative: Review nortriptyline off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. estrone alzheimers_disease SPECULATIVE 0.0749 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. beclomethasone alzheimers_disease SPECULATIVE 0.0749 0.1 mefenamic_acid Speculative: Review beclomethasone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. beclomethasone parkinsons_disease SPECULATIVE 0.0749 0.1 mefenamic_acid Speculative: Review beclomethasone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. methotrimeprazine salivary_gland_cancer SPECULATIVE 0.0749 0.1 diphenylpyraline Speculative: Review methotrimeprazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. chlorprothixene pharynx_cancer SPECULATIVE 0.0749 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. loperamide head_and_neck_cancer SPECULATIVE 0.0749 0.09090909090909091 hydrocortisone Speculative: Review loperamide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. loperamide malignant_glioma SPECULATIVE 0.0749 0.09090909090909091 hydrocortisone Speculative: Review loperamide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acepromazine prostate_cancer SPECULATIVE 0.0749 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. folic_acid idiopathic_pulmonary_fibrosis SPECULATIVE 0.0749 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid idiopathic_pulmonary_fibrosis SPECULATIVE 0.0749 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. meclizine germ_cell_cancer SPECULATIVE 0.0749 0.06896551724137931 etoricoxib Speculative: Review meclizine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. testolactone larynx_cancer SPECULATIVE 0.0749 0.05555555555555555 pantoprazole Speculative: Review testolactone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. l-serine duodenum_cancer SPECULATIVE 0.0749 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. l-serine gallbladder_cancer SPECULATIVE 0.0749 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. alendronate lymphatic_system_cancer SPECULATIVE 0.0749 0.0 vinblastine Speculative: Review alendronate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cabazitaxel hepatitis_b SPECULATIVE 0.0749 0.0 mitiglinide Speculative: Review cabazitaxel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. eplerenone lymphatic_system_cancer SPECULATIVE 0.0749 0.0 vinblastine Speculative: Review eplerenone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. etidronic_acid lymphatic_system_cancer SPECULATIVE 0.0749 0.0 vinblastine Speculative: Review etidronic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. liothyronine lymphatic_system_cancer SPECULATIVE 0.0749 0.0 vinblastine Speculative: Review liothyronine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methylprednisolone hepatitis_b SPECULATIVE 0.0749 0.0 mitiglinide Speculative: Review methylprednisolone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. nitrazepam germ_cell_cancer SPECULATIVE 0.0749 0.0 hydrocortisone Speculative: Review nitrazepam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. paclitaxel hepatitis_b SPECULATIVE 0.0749 0.0 mitiglinide Speculative: Review paclitaxel off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pamidronate lymphatic_system_cancer SPECULATIVE 0.0749 0.0 vinblastine Speculative: Review pamidronate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. prochlorperazine hepatitis_b SPECULATIVE 0.0749 0.0 mitiglinide Speculative: Review prochlorperazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. temazepam hepatitis_b SPECULATIVE 0.0749 0.0 mitiglinide Speculative: Review temazepam off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. drospirenone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0748 0.125 tropicamide Speculative: Review drospirenone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. estrone autistic_disorder SPECULATIVE 0.0748 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. rimexolone conduct_disorder SPECULATIVE 0.0748 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. rimexolone panic_disorder SPECULATIVE 0.0748 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. rimexolone schizophrenia SPECULATIVE 0.0748 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. beclomethasone autistic_disorder SPECULATIVE 0.0748 0.1 mefenamic_acid Speculative: Review beclomethasone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. beclomethasone nicotine_dependence SPECULATIVE 0.0748 0.1 mefenamic_acid Speculative: Review beclomethasone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. thiothixene penile_cancer SPECULATIVE 0.0748 0.08571428571428572 loperamide Speculative: Review thiothixene off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. exemestane membranous_glomerulonephritis SPECULATIVE 0.0748 0.08 dimetacrine Speculative: Review exemestane off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. vandetanib type_2_diabetes_mellitus SPECULATIVE 0.0748 0.07692307692307693 docetaxel Speculative: Review vandetanib off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. chlorcyclizine type_1_diabetes_mellitus SPECULATIVE 0.0748 0.075 fludrocortisone Speculative: Review chlorcyclizine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. folic_acid chronic_kidney_failure SPECULATIVE 0.0748 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. salsalate nephrolithiasis SPECULATIVE 0.0748 0.058823529411764705 vinblastine Speculative: Review salsalate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid chronic_kidney_failure SPECULATIVE 0.0748 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. salsalate brain_cancer SPECULATIVE 0.0748 0.05263157894736842 cyproterone_acetate Speculative: Review salsalate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fludrocortisone malaria SPECULATIVE 0.0748 0.05 talbutal Speculative: Review fludrocortisone off-target effects vs malaria mechanism. Phenotypic screen recommended. gefitinib idiopathic_pulmonary_fibrosis SPECULATIVE 0.0748 0.03571428571428571 metaraminol Speculative: Review gefitinib off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. l-serine nephrolithiasis SPECULATIVE 0.0748 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. bethanidine alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review bethanidine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clobazam head_and_neck_cancer SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clobazam malignant_glioma SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. epirubicin alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review epirubicin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. erlotinib alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review erlotinib off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mepenzolate alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenprocoumon alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review phenprocoumon off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. podofilox alopecia_areata SPECULATIVE 0.0748 0.0 hydrocortisone Speculative: Review podofilox off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. telbivudine narcolepsy SPECULATIVE 0.0748 0.0 phenylbutazone Speculative: Review telbivudine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. fludrocortisone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0747 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. exemestane parkinsons_disease SPECULATIVE 0.0747 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. medrysone parkinsons_disease SPECULATIVE 0.0747 0.10526315789473684 tolmetin Speculative: Review medrysone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. clofedanol nephrolithiasis SPECULATIVE 0.0747 0.0975609756097561 procaine Speculative: Review clofedanol off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. prednisone epilepsy_syndrome SPECULATIVE 0.0747 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. testosterone_propionate narcolepsy SPECULATIVE 0.0747 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. acepromazine mediastinal_cancer SPECULATIVE 0.0747 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. promazine head_and_neck_cancer SPECULATIVE 0.0747 0.08 flurandrenolide Speculative: Review promazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. promazine malignant_glioma SPECULATIVE 0.0747 0.08 flurandrenolide Speculative: Review promazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylate-sodium malignant_mesothelioma SPECULATIVE 0.0747 0.07692307692307693 mesalazine Speculative: Review salicylate-sodium off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. hydrocortisone glaucoma SPECULATIVE 0.0747 0.07142857142857142 l-dopa Speculative: Review hydrocortisone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. medrysone focal_segmental_glomerulosclerosis SPECULATIVE 0.0747 0.0625 calcitriol Speculative: Review medrysone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. l-serine metabolic_syndrome_x SPECULATIVE 0.0747 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. cyclopentolate nephrolithiasis SPECULATIVE 0.0747 0.058823529411764705 fluocinonide Speculative: Review cyclopentolate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. cyclopentolate refractive_error SPECULATIVE 0.0747 0.058823529411764705 propranolol Speculative: Review cyclopentolate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. dimetacrine larynx_cancer SPECULATIVE 0.0747 0.05263157894736842 vinblastine Speculative: Review dimetacrine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. hydrocortisone larynx_cancer SPECULATIVE 0.0747 0.05263157894736842 methimazole Speculative: Review hydrocortisone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methyldopa larynx_cancer SPECULATIVE 0.0747 0.047619047619047616 procarbazine Speculative: Review methyldopa off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pheniramine larynx_cancer SPECULATIVE 0.0747 0.043478260869565216 epirubicin Speculative: Review pheniramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. progesterone lymphatic_system_cancer SPECULATIVE 0.0747 0.03571428571428571 lamivudine Speculative: Review progesterone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. l-serine malignant_mesothelioma SPECULATIVE 0.0747 0.029411764705882353 melphalan Speculative: Review l-serine off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. spironolactone lymphatic_system_cancer SPECULATIVE 0.0747 0.02564102564102564 adenosine_triphosphate Speculative: Review spironolactone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. phensuximide germ_cell_cancer SPECULATIVE 0.0747 0.022727272727272728 epirubicin Speculative: Review phensuximide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenylbutazone acquired_immunodeficiency_syndrome SPECULATIVE 0.0747 0.013888888888888888 adenosine_monophosphate Speculative: Review phenylbutazone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. estrone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0746 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. rimexolone bipolar_disorder SPECULATIVE 0.0746 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. exemestane autistic_disorder SPECULATIVE 0.0746 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. methdilazine salivary_gland_cancer SPECULATIVE 0.0746 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. methotrimeprazine ocular_cancer SPECULATIVE 0.0746 0.1 diphenylpyraline Speculative: Review methotrimeprazine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. rimexolone narcolepsy SPECULATIVE 0.0746 0.09523809523809523 mefenamic_acid Speculative: Review rimexolone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. fluticasone_propionate creutzfeldt-jakob_disease SPECULATIVE 0.0746 0.09090909090909091 raloxifene Speculative: Review fluticasone_propionate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acepromazine thymus_cancer SPECULATIVE 0.0746 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. hydrocortisone chronic_kidney_failure SPECULATIVE 0.0746 0.08 floctafenine Speculative: Review hydrocortisone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. lamivudine asthma SPECULATIVE 0.0746 0.06666666666666667 dopamine Speculative: Review lamivudine off-target effects vs asthma mechanism. Phenotypic screen recommended. propranolol penile_cancer SPECULATIVE 0.0746 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. chlordiazepoxide primary_biliary_cirrhosis SPECULATIVE 0.0746 0.05 atropine Speculative: Review chlordiazepoxide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. clobazam nephrolithiasis SPECULATIVE 0.0746 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clobazam refractive_error SPECULATIVE 0.0746 0.0 pirbuterol Speculative: Review clobazam off-target effects vs refractive_error mechanism. Phenotypic screen recommended. dexamethasone malaria SPECULATIVE 0.0746 0.0 ethotoin Speculative: Review dexamethasone off-target effects vs malaria mechanism. Phenotypic screen recommended. entecavir glaucoma SPECULATIVE 0.0746 0.0 pirbuterol Speculative: Review entecavir off-target effects vs glaucoma mechanism. Phenotypic screen recommended. goserelin azoospermia SPECULATIVE 0.0746 0.0 phenylbutazone Speculative: Review goserelin off-target effects vs azoospermia mechanism. Phenotypic screen recommended. l-histidine malaria SPECULATIVE 0.0746 0.0 ethotoin Speculative: Review l-histidine off-target effects vs malaria mechanism. Phenotypic screen recommended. nortriptyline glaucoma SPECULATIVE 0.0746 0.0 pirbuterol Speculative: Review nortriptyline off-target effects vs glaucoma mechanism. Phenotypic screen recommended. pazopanib focal_segmental_glomerulosclerosis SPECULATIVE 0.0746 0.0 methdilazine Speculative: Review pazopanib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. drospirenone conduct_disorder SPECULATIVE 0.0745 0.125 tropicamide Speculative: Review drospirenone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. hydrocortisone epilepsy_syndrome SPECULATIVE 0.0745 0.11538461538461539 tolmetin Speculative: Review hydrocortisone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. rimexolone endogenous_depression SPECULATIVE 0.0745 0.1111111111111111 floctafenine Speculative: Review rimexolone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. thiothixene salivary_gland_cancer SPECULATIVE 0.0745 0.1111111111111111 clonidine Speculative: Review thiothixene off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. salicylate-sodium mediastinal_cancer SPECULATIVE 0.0745 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. propericiazine meningioma SPECULATIVE 0.0745 0.08 loperamide Speculative: Review propericiazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. drospirenone glaucoma SPECULATIVE 0.0745 0.07142857142857142 dinoprost_tromethamine Speculative: Review drospirenone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. pipotiazine head_and_neck_cancer SPECULATIVE 0.0745 0.07142857142857142 podofilox Speculative: Review pipotiazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pipotiazine malignant_glioma SPECULATIVE 0.0745 0.07142857142857142 podofilox Speculative: Review pipotiazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. gefitinib obesity SPECULATIVE 0.0745 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs obesity mechanism. Phenotypic screen recommended. lamivudine allergic_rhinitis SPECULATIVE 0.0745 0.06666666666666667 dopamine Speculative: Review lamivudine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. lamivudine atopic_dermatitis SPECULATIVE 0.0745 0.06666666666666667 dopamine Speculative: Review lamivudine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. betamethasone focal_segmental_glomerulosclerosis SPECULATIVE 0.0745 0.05555555555555555 calcitriol Speculative: Review betamethasone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. loperamide atherosclerosis SPECULATIVE 0.0745 0.043478260869565216 clofibrate Speculative: Review loperamide off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. naftifine larynx_cancer SPECULATIVE 0.0745 0.043478260869565216 epirubicin Speculative: Review naftifine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. loxapine refractive_error SPECULATIVE 0.0745 0.037037037037037035 practolol Speculative: Review loxapine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. clobazam celiac_disease SPECULATIVE 0.0745 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs celiac_disease mechanism. Phenotypic screen recommended. pentostatin creutzfeldt-jakob_disease SPECULATIVE 0.0745 0.0 loxapine Speculative: Review pentostatin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. fludrocortisone conduct_disorder SPECULATIVE 0.0744 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. fludrocortisone panic_disorder SPECULATIVE 0.0744 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. fludrocortisone schizophrenia SPECULATIVE 0.0744 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. exemestane attention_deficit_hyperactivity_disorder SPECULATIVE 0.0744 0.10526315789473684 diphemanil_methylsulfate Speculative: Review exemestane off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. acepromazine urinary_bladder_cancer SPECULATIVE 0.0744 0.1 aprindine Speculative: Review acepromazine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. acepromazine hematologic_cancer SPECULATIVE 0.0744 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. estrone membranous_glomerulonephritis SPECULATIVE 0.0744 0.07692307692307693 calcitriol Speculative: Review estrone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. gefitinib psoriatic_arthritis SPECULATIVE 0.0744 0.07692307692307693 sorafenib Speculative: Review gefitinib off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. fenoprofen alopecia_areata SPECULATIVE 0.0744 0.07142857142857142 drospirenone Speculative: Review fenoprofen off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. propranolol malignant_mesothelioma SPECULATIVE 0.0744 0.06666666666666667 reboxetine Speculative: Review propranolol off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. gefitinib metabolic_syndrome_x SPECULATIVE 0.0744 0.06557377049180328 lidocaine Speculative: Review gefitinib off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. olsalazine germ_cell_cancer SPECULATIVE 0.0744 0.058823529411764705 dexamethasone Speculative: Review olsalazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. paclitaxel alzheimers_disease SPECULATIVE 0.0744 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. paclitaxel parkinsons_disease SPECULATIVE 0.0744 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. cabazitaxel membranous_glomerulonephritis SPECULATIVE 0.0744 0.02631578947368421 fenoprofen Speculative: Review cabazitaxel off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. diphenhydramine lymphatic_system_cancer SPECULATIVE 0.0744 0.024390243902439025 riboflavin Speculative: Review diphenhydramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. aceprometazine atherosclerosis SPECULATIVE 0.0744 0.0 fenoprofen Speculative: Review aceprometazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. aceprometazine lymphatic_system_cancer SPECULATIVE 0.0744 0.0 vinblastine Speculative: Review aceprometazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. brompheniramine lymphatic_system_cancer SPECULATIVE 0.0744 0.0 vinblastine Speculative: Review brompheniramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cladribine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0744 0.0 hydrocortisone Speculative: Review cladribine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. cyclopentolate acquired_immunodeficiency_syndrome SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review cyclopentolate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. floxuridine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0744 0.0 hydrocortisone Speculative: Review floxuridine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. fluticasone_propionate acquired_immunodeficiency_syndrome SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review fluticasone_propionate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fosphenytoin hepatitis_b SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review fosphenytoin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin membranous_glomerulonephritis SPECULATIVE 0.0744 0.0 methdilazine Speculative: Review goserelin off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenindamine hepatitis_b SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review phenindamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. reboxetine acquired_immunodeficiency_syndrome SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review reboxetine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. spironolactone acquired_immunodeficiency_syndrome SPECULATIVE 0.0744 0.0 mitiglinide Speculative: Review spironolactone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. drospirenone bipolar_disorder SPECULATIVE 0.0743 0.125 tropicamide Speculative: Review drospirenone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. drospirenone endogenous_depression SPECULATIVE 0.0743 0.125 tropicamide Speculative: Review drospirenone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. methdilazine ocular_cancer SPECULATIVE 0.0743 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. methotrimeprazine peripheral_nervous_system_neoplasm SPECULATIVE 0.0743 0.1 diphenylpyraline Speculative: Review methotrimeprazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. chlorprothixene salivary_gland_cancer SPECULATIVE 0.0743 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. thiothixene primary_biliary_cirrhosis SPECULATIVE 0.0743 0.09375 toremifene Speculative: Review thiothixene off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. beclomethasone creutzfeldt-jakob_disease SPECULATIVE 0.0743 0.09090909090909091 homatropine_methylbromide Speculative: Review beclomethasone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. progesterone focal_segmental_glomerulosclerosis SPECULATIVE 0.0743 0.06896551724137931 toremifene Speculative: Review progesterone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. mesalazine alopecia_areata SPECULATIVE 0.0743 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lamivudine alzheimers_disease SPECULATIVE 0.0743 0.0625 desipramine Speculative: Review lamivudine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. lamivudine parkinsons_disease SPECULATIVE 0.0743 0.0625 desipramine Speculative: Review lamivudine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. paclitaxel autistic_disorder SPECULATIVE 0.0743 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. methdilazine esophageal_cancer SPECULATIVE 0.0743 0.05 vinblastine Speculative: Review methdilazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. phenytoin larynx_cancer SPECULATIVE 0.0743 0.04 pantoprazole Speculative: Review phenytoin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. dydrogesterone lymphatic_system_cancer SPECULATIVE 0.0743 0.022222222222222223 adenosine_triphosphate Speculative: Review dydrogesterone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. cinolazepam meningioma SPECULATIVE 0.0743 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs meningioma mechanism. Phenotypic screen recommended. clozapine larynx_cancer SPECULATIVE 0.0743 0.0 vinblastine Speculative: Review clozapine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. levonordefrin larynx_cancer SPECULATIVE 0.0743 0.0 vinblastine Speculative: Review levonordefrin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. prochlorperazine larynx_cancer SPECULATIVE 0.0743 0.0 vinblastine Speculative: Review prochlorperazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. fludrocortisone bipolar_disorder SPECULATIVE 0.0742 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. estrone conduct_disorder SPECULATIVE 0.0742 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. thiothixene ocular_cancer SPECULATIVE 0.0742 0.1111111111111111 clonidine Speculative: Review thiothixene off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate narcolepsy SPECULATIVE 0.0742 0.08333333333333333 cinnarizine Speculative: Review fluticasone_propionate off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. perphenazine meningioma SPECULATIVE 0.0742 0.08 loperamide Speculative: Review perphenazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. testolactone focal_segmental_glomerulosclerosis SPECULATIVE 0.0742 0.06451612903225806 dimetacrine Speculative: Review testolactone off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. lamivudine amyotrophic_lateral_sclerosis SPECULATIVE 0.0742 0.0625 desipramine Speculative: Review lamivudine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. l-serine obesity SPECULATIVE 0.0742 0.05970149253731343 pargyline Speculative: Review l-serine off-target effects vs obesity mechanism. Phenotypic screen recommended. testosterone_propionate glaucoma SPECULATIVE 0.0742 0.058823529411764705 pseudoephedrine Speculative: Review testosterone_propionate off-target effects vs glaucoma mechanism. Phenotypic screen recommended. estrone gilles_de_la_tourette_syndrome SPECULATIVE 0.0742 0.05555555555555555 clotrimazole Speculative: Review estrone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. procainamide osteoporosis SPECULATIVE 0.0742 0.04477611940298507 sorafenib Speculative: Review procainamide off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. progesterone malaria SPECULATIVE 0.0742 0.037037037037037035 warfarin Speculative: Review progesterone off-target effects vs malaria mechanism. Phenotypic screen recommended. folic_acid malaria SPECULATIVE 0.0742 0.020833333333333332 phensuximide Speculative: Review folic_acid off-target effects vs malaria mechanism. Phenotypic screen recommended. anisotropine_methylbromide mediastinal_cancer SPECULATIVE 0.0742 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. anisotropine_methylbromide primary_biliary_cirrhosis SPECULATIVE 0.0742 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. bromodiphenhydramine alopecia_areata SPECULATIVE 0.0742 0.0 hydrocortisone Speculative: Review bromodiphenhydramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. deferasirox alopecia_areata SPECULATIVE 0.0742 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. eplerenone malaria SPECULATIVE 0.0742 0.0 ethotoin Speculative: Review eplerenone off-target effects vs malaria mechanism. Phenotypic screen recommended. liothyronine malaria SPECULATIVE 0.0742 0.0 ethotoin Speculative: Review liothyronine off-target effects vs malaria mechanism. Phenotypic screen recommended. mitiglinide alopecia_areata SPECULATIVE 0.0742 0.0 hydrocortisone Speculative: Review mitiglinide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fludrocortisone endogenous_depression SPECULATIVE 0.0741 0.13043478260869565 floctafenine Speculative: Review fludrocortisone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. drospirenone creutzfeldt-jakob_disease SPECULATIVE 0.0741 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. estrone bipolar_disorder SPECULATIVE 0.0741 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. medrysone schizophrenia SPECULATIVE 0.0741 0.10526315789473684 tolmetin Speculative: Review medrysone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. prednisone parkinsons_disease SPECULATIVE 0.0741 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. meclizine primary_biliary_cirrhosis SPECULATIVE 0.0741 0.07692307692307693 sulfapyridine Speculative: Review meclizine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. progesterone gilles_de_la_tourette_syndrome SPECULATIVE 0.0741 0.06896551724137931 toremifene Speculative: Review progesterone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. rimexolone gilles_de_la_tourette_syndrome SPECULATIVE 0.0741 0.0625 methadone Speculative: Review rimexolone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. paclitaxel attention_deficit_hyperactivity_disorder SPECULATIVE 0.0741 0.05263157894736842 acetylsalicylic_acid Speculative: Review paclitaxel off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. trimipramine larynx_cancer SPECULATIVE 0.0741 0.05 vinblastine Speculative: Review trimipramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. procainamide idiopathic_pulmonary_fibrosis SPECULATIVE 0.0741 0.01818181818181818 gatifloxacin Speculative: Review procainamide off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. alcaftadine gout SPECULATIVE 0.0741 0.0 methdilazine Speculative: Review alcaftadine off-target effects vs gout mechanism. Phenotypic screen recommended. anisotropine_methylbromide thymus_cancer SPECULATIVE 0.0741 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. dimetacrine acquired_immunodeficiency_syndrome SPECULATIVE 0.0741 0.0 mitiglinide Speculative: Review dimetacrine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. oxcarbazepine germ_cell_cancer SPECULATIVE 0.0741 0.0 hydrocortisone Speculative: Review oxcarbazepine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenindione germ_cell_cancer SPECULATIVE 0.0741 0.0 hydrocortisone Speculative: Review phenindione off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. estrone endogenous_depression SPECULATIVE 0.074 0.1111111111111111 bifonazole Speculative: Review estrone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. methdilazine peripheral_nervous_system_neoplasm SPECULATIVE 0.074 0.10344827586206896 phenylbutazone Speculative: Review methdilazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. fluocinonide alzheimers_disease SPECULATIVE 0.074 0.1 mefenamic_acid Speculative: Review fluocinonide off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. fluocinonide parkinsons_disease SPECULATIVE 0.074 0.1 mefenamic_acid Speculative: Review fluocinonide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. chlorprothixene ocular_cancer SPECULATIVE 0.074 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. prednisone autistic_disorder SPECULATIVE 0.074 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. thiothixene meningioma SPECULATIVE 0.074 0.08571428571428572 loperamide Speculative: Review thiothixene off-target effects vs meningioma mechanism. Phenotypic screen recommended. lamivudine restless_legs_syndrome SPECULATIVE 0.074 0.07142857142857142 amphetamine Speculative: Review lamivudine off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. vandetanib nicotine_dependence SPECULATIVE 0.074 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. methdilazine type_1_diabetes_mellitus SPECULATIVE 0.074 0.05263157894736842 atropine Speculative: Review methdilazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. abacavir crohns_disease SPECULATIVE 0.074 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. aprindine refractive_error SPECULATIVE 0.074 0.0 pirbuterol Speculative: Review aprindine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. bromfenac lymphatic_system_cancer SPECULATIVE 0.074 0.0 vinblastine Speculative: Review bromfenac off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. teniposide glaucoma SPECULATIVE 0.074 0.0 pirbuterol Speculative: Review teniposide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. triflupromazine lymphatic_system_cancer SPECULATIVE 0.074 0.0 vinblastine Speculative: Review triflupromazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. hydrocortisone parkinsons_disease SPECULATIVE 0.0739 0.11538461538461539 tolmetin Speculative: Review hydrocortisone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. thiothixene peripheral_nervous_system_neoplasm SPECULATIVE 0.0739 0.1111111111111111 clonidine Speculative: Review thiothixene off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. fluocinonide autistic_disorder SPECULATIVE 0.0739 0.1 mefenamic_acid Speculative: Review fluocinonide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. fluocinonide nicotine_dependence SPECULATIVE 0.0739 0.1 mefenamic_acid Speculative: Review fluocinonide off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. testosterone_propionate autistic_disorder SPECULATIVE 0.0739 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. testosterone_propionate nicotine_dependence SPECULATIVE 0.0739 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. spironolactone narcolepsy SPECULATIVE 0.0739 0.08695652173913043 acetylsalicylic_acid Speculative: Review spironolactone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. perphenazine primary_biliary_cirrhosis SPECULATIVE 0.0739 0.08333333333333333 atropine Speculative: Review perphenazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. gefitinib type_2_diabetes_mellitus SPECULATIVE 0.0739 0.06944444444444445 meclizine Speculative: Review gefitinib off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. phenacemide larynx_cancer SPECULATIVE 0.0739 0.04 vinblastine Speculative: Review phenacemide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. alcaftadine coronary_artery_disease SPECULATIVE 0.0739 0.0 hydrocortisone Speculative: Review alcaftadine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. cladribine narcolepsy SPECULATIVE 0.0739 0.0 phenylbutazone Speculative: Review cladribine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. drospirenone acquired_immunodeficiency_syndrome SPECULATIVE 0.0739 0.0 mitiglinide Speculative: Review drospirenone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. dydrogesterone acquired_immunodeficiency_syndrome SPECULATIVE 0.0739 0.0 mitiglinide Speculative: Review dydrogesterone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. hydrocortisone acquired_immunodeficiency_syndrome SPECULATIVE 0.0739 0.0 mitiglinide Speculative: Review hydrocortisone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. testosterone_propionate acquired_immunodeficiency_syndrome SPECULATIVE 0.0739 0.0 mitiglinide Speculative: Review testosterone_propionate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. prednisone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0738 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. medrysone azoospermia SPECULATIVE 0.0738 0.07407407407407407 procaine Speculative: Review medrysone off-target effects vs azoospermia mechanism. Phenotypic screen recommended. propranolol meningioma SPECULATIVE 0.0738 0.06666666666666667 epirubicin Speculative: Review propranolol off-target effects vs meningioma mechanism. Phenotypic screen recommended. thioproperazine intracranial_aneurysm SPECULATIVE 0.0738 0.06666666666666667 podofilox Speculative: Review thioproperazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. l-serine type_2_diabetes_mellitus SPECULATIVE 0.0738 0.06060606060606061 phenylpropanolamine Speculative: Review l-serine off-target effects vs type_2_diabetes_mellitus mechanism. Phenotypic screen recommended. droxidopa focal_segmental_glomerulosclerosis SPECULATIVE 0.0738 0.05555555555555555 ergocalciferol Speculative: Review droxidopa off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. prochlorperazine pharynx_cancer SPECULATIVE 0.0738 0.05263157894736842 loperamide Speculative: Review prochlorperazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. vandetanib creutzfeldt-jakob_disease SPECULATIVE 0.0738 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. carbidopa alopecia_areata SPECULATIVE 0.0738 0.043478260869565216 estrone Speculative: Review carbidopa off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. zuclopenthixol hepatitis_b SPECULATIVE 0.0738 0.022222222222222223 adenosine_triphosphate Speculative: Review zuclopenthixol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fosphenytoin larynx_cancer SPECULATIVE 0.0738 0.0 vinblastine Speculative: Review fosphenytoin off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pentostatin chronic_obstructive_pulmonary_disease SPECULATIVE 0.0738 0.0 hydrocortisone Speculative: Review pentostatin off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. pentostatin epilepsy_syndrome SPECULATIVE 0.0738 0.0 flurazepam Speculative: Review pentostatin off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. fluoxymesterone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0737 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. testosterone_propionate attention_deficit_hyperactivity_disorder SPECULATIVE 0.0737 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. chlorprothixene peripheral_nervous_system_neoplasm SPECULATIVE 0.0737 0.0967741935483871 phenylbutazone Speculative: Review chlorprothixene off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. propranolol primary_biliary_cirrhosis SPECULATIVE 0.0737 0.07142857142857142 tioguanine Speculative: Review propranolol off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. thioproperazine head_and_neck_cancer SPECULATIVE 0.0737 0.07142857142857142 topotecan Speculative: Review thioproperazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. thioproperazine malignant_glioma SPECULATIVE 0.0737 0.07142857142857142 topotecan Speculative: Review thioproperazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acepromazine penile_cancer SPECULATIVE 0.0737 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate membranous_glomerulonephritis SPECULATIVE 0.0737 0.06666666666666667 floctafenine Speculative: Review fluticasone_propionate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenacemide chronic_kidney_failure SPECULATIVE 0.0737 0.0625 tiaprofenic_acid Speculative: Review phenacemide off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. loperamide larynx_cancer SPECULATIVE 0.0737 0.058823529411764705 methimazole Speculative: Review loperamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. carbinoxamine glaucoma SPECULATIVE 0.0737 0.037037037037037035 pseudoephedrine Speculative: Review carbinoxamine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. l-serine prostate_cancer SPECULATIVE 0.0737 0.03125 cyclopentolate Speculative: Review l-serine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. clofedanol acquired_immunodeficiency_syndrome SPECULATIVE 0.0737 0.011904761904761904 adenosine_monophosphate Speculative: Review clofedanol off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methadone intracranial_aneurysm SPECULATIVE 0.0736 0.0967741935483871 drospirenone Speculative: Review methadone off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. acepromazine melanoma SPECULATIVE 0.0736 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs melanoma mechanism. Phenotypic screen recommended. cortisone_acetate epilepsy_syndrome SPECULATIVE 0.0736 0.07142857142857142 aprindine Speculative: Review cortisone_acetate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. propranolol gout SPECULATIVE 0.0736 0.07142857142857142 tioguanine Speculative: Review propranolol off-target effects vs gout mechanism. Phenotypic screen recommended. amcinonide glaucoma SPECULATIVE 0.0736 0.06666666666666667 succinylcholine Speculative: Review amcinonide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. droxidopa alopecia_areata SPECULATIVE 0.0736 0.047619047619047616 estrone Speculative: Review droxidopa off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. promazine larynx_cancer SPECULATIVE 0.0736 0.045454545454545456 vinblastine Speculative: Review promazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. toremifene acquired_immunodeficiency_syndrome SPECULATIVE 0.0736 0.014084507042253521 adenosine_monophosphate Speculative: Review toremifene off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. abacavir idiopathic_pulmonary_fibrosis SPECULATIVE 0.0736 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. carbinoxamine lymphatic_system_cancer SPECULATIVE 0.0736 0.0 vinblastine Speculative: Review carbinoxamine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. ifenprodil acquired_immunodeficiency_syndrome SPECULATIVE 0.0736 0.0 mitiglinide Speculative: Review ifenprodil off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. telbivudine creutzfeldt-jakob_disease SPECULATIVE 0.0736 0.0 loxapine Speculative: Review telbivudine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. drospirenone epilepsy_syndrome SPECULATIVE 0.0735 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. fluocinonide creutzfeldt-jakob_disease SPECULATIVE 0.0735 0.09090909090909091 homatropine_methylbromide Speculative: Review fluocinonide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. folic_acid metabolic_syndrome_x SPECULATIVE 0.0735 0.09090909090909091 benazepril Speculative: Review folic_acid off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. prednisone schizophrenia SPECULATIVE 0.0735 0.09090909090909091 methadone Speculative: Review prednisone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. testosterone_propionate creutzfeldt-jakob_disease SPECULATIVE 0.0735 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid metabolic_syndrome_x SPECULATIVE 0.0735 0.09090909090909091 benazepril Speculative: Review tetrahydrofolic_acid off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. chlorcyclizine germ_cell_cancer SPECULATIVE 0.0735 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. bezafibrate urinary_bladder_cancer SPECULATIVE 0.0735 0.08108108108108109 hydrocortisone Speculative: Review bezafibrate off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. triflupromazine salivary_gland_cancer SPECULATIVE 0.0735 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. hydrocortisone refractive_error SPECULATIVE 0.0735 0.07142857142857142 l-dopa Speculative: Review hydrocortisone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vandetanib conduct_disorder SPECULATIVE 0.0735 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. vandetanib panic_disorder SPECULATIVE 0.0735 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. meclizine alopecia_areata SPECULATIVE 0.0735 0.034482758620689655 fluticasone_propionate Speculative: Review meclizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorprothixene alopecia_areata SPECULATIVE 0.0735 0.03333333333333333 levorphanol Speculative: Review chlorprothixene off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-serine gout SPECULATIVE 0.0735 0.03125 cyclopentolate Speculative: Review l-serine off-target effects vs gout mechanism. Phenotypic screen recommended. l-serine primary_biliary_cirrhosis SPECULATIVE 0.0735 0.03125 mitiglinide Speculative: Review l-serine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. pirenzepine hepatitis_b SPECULATIVE 0.0735 0.023809523809523808 adenosine_triphosphate Speculative: Review pirenzepine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin penile_cancer SPECULATIVE 0.0735 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. fluoxymesterone panic_disorder SPECULATIVE 0.0734 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. fluoxymesterone schizophrenia SPECULATIVE 0.0734 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. testosterone_propionate conduct_disorder SPECULATIVE 0.0734 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. testosterone_propionate panic_disorder SPECULATIVE 0.0734 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. testosterone_propionate schizophrenia SPECULATIVE 0.0734 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. chlorcyclizine head_and_neck_cancer SPECULATIVE 0.0734 0.075 fludrocortisone Speculative: Review chlorcyclizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. acepromazine idiopathic_pulmonary_fibrosis SPECULATIVE 0.0734 0.07407407407407407 diphenhydramine Speculative: Review acepromazine off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. vandetanib multiple_sclerosis SPECULATIVE 0.0734 0.05714285714285714 glucosamine Speculative: Review vandetanib off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. vandetanib epilepsy_syndrome SPECULATIVE 0.0734 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. loxapine germ_cell_cancer SPECULATIVE 0.0734 0.041666666666666664 alendronate Speculative: Review loxapine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. l-serine sclerosing_cholangitis SPECULATIVE 0.0734 0.038461538461538464 phenacemide Speculative: Review l-serine off-target effects vs sclerosing_cholangitis mechanism. Phenotypic screen recommended. diphenylpyraline acquired_immunodeficiency_syndrome SPECULATIVE 0.0734 0.0125 adenosine_monophosphate Speculative: Review diphenylpyraline off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. amitriptyline hepatitis_b SPECULATIVE 0.0734 0.0 mitiglinide Speculative: Review amitriptyline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diethylstilbestrol hepatitis_b SPECULATIVE 0.0734 0.0 mitiglinide Speculative: Review diethylstilbestrol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. erlotinib focal_segmental_glomerulosclerosis SPECULATIVE 0.0734 0.0 methdilazine Speculative: Review erlotinib off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. midazolam germ_cell_cancer SPECULATIVE 0.0734 0.0 hydrocortisone Speculative: Review midazolam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. vindesine hepatitis_b SPECULATIVE 0.0734 0.0 mitiglinide Speculative: Review vindesine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. hydrocortisone panic_disorder SPECULATIVE 0.0733 0.11538461538461539 tolmetin Speculative: Review hydrocortisone off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. hydrocortisone schizophrenia SPECULATIVE 0.0733 0.11538461538461539 tolmetin Speculative: Review hydrocortisone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. drospirenone refractive_error SPECULATIVE 0.0733 0.07142857142857142 dinoprost_tromethamine Speculative: Review drospirenone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vandetanib bipolar_disorder SPECULATIVE 0.0733 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. l-serine lung_cancer SPECULATIVE 0.0733 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. l-serine rectum_cancer SPECULATIVE 0.0733 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. fentanyl atherosclerosis SPECULATIVE 0.0733 0.03333333333333333 pargyline Speculative: Review fentanyl off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. procainamide coronary_artery_disease SPECULATIVE 0.0733 0.01639344262295082 menadione Speculative: Review procainamide off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. cinolazepam primary_biliary_cirrhosis SPECULATIVE 0.0733 0.0 hydrocortisone Speculative: Review cinolazepam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. deferasirox esophageal_cancer SPECULATIVE 0.0733 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. entecavir refractive_error SPECULATIVE 0.0733 0.0 pirbuterol Speculative: Review entecavir off-target effects vs refractive_error mechanism. Phenotypic screen recommended. isoprenaline larynx_cancer SPECULATIVE 0.0733 0.0 vinblastine Speculative: Review isoprenaline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. nortriptyline refractive_error SPECULATIVE 0.0733 0.0 pirbuterol Speculative: Review nortriptyline off-target effects vs refractive_error mechanism. Phenotypic screen recommended. progesterone acquired_immunodeficiency_syndrome SPECULATIVE 0.0733 0.0 mitiglinide Speculative: Review progesterone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fluoxymesterone bipolar_disorder SPECULATIVE 0.0732 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. testosterone_propionate bipolar_disorder SPECULATIVE 0.0732 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. testosterone_propionate endogenous_depression SPECULATIVE 0.0732 0.1 tropicamide Speculative: Review testosterone_propionate off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. fluticasone_propionate parkinsons_disease SPECULATIVE 0.0732 0.09090909090909091 raloxifene Speculative: Review fluticasone_propionate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. hydrocortisone membranous_glomerulonephritis SPECULATIVE 0.0732 0.08 floctafenine Speculative: Review hydrocortisone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. triflupromazine ocular_cancer SPECULATIVE 0.0732 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. carbidopa membranous_glomerulonephritis SPECULATIVE 0.0732 0.06521739130434782 fenoprofen Speculative: Review carbidopa off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. vandetanib endogenous_depression SPECULATIVE 0.0732 0.05555555555555555 naloxone Speculative: Review vandetanib off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. warfarin alopecia_areata SPECULATIVE 0.0732 0.045454545454545456 drospirenone Speculative: Review warfarin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-serine liver_cancer SPECULATIVE 0.0732 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs liver_cancer mechanism. Phenotypic screen recommended. vandetanib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0732 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. l-serine mediastinal_cancer SPECULATIVE 0.0732 0.029411764705882353 melphalan Speculative: Review l-serine off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. acepromazine atherosclerosis SPECULATIVE 0.0732 0.0 fenoprofen Speculative: Review acepromazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. acepromazine lymphatic_system_cancer SPECULATIVE 0.0732 0.0 vinblastine Speculative: Review acepromazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorpromazine lymphatic_system_cancer SPECULATIVE 0.0732 0.0 vinblastine Speculative: Review chlorpromazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clomipramine lymphatic_system_cancer SPECULATIVE 0.0732 0.0 vinblastine Speculative: Review clomipramine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pentostatin alzheimers_disease SPECULATIVE 0.0732 0.0 flurazepam Speculative: Review pentostatin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. podofilox type_1_diabetes_mellitus SPECULATIVE 0.0732 0.0 hydrocortisone Speculative: Review podofilox off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. fluoxymesterone endogenous_depression SPECULATIVE 0.0731 0.11538461538461539 ospemifene Speculative: Review fluoxymesterone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. hydrocortisone bipolar_disorder SPECULATIVE 0.0731 0.11538461538461539 tolmetin Speculative: Review hydrocortisone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. folic_acid obesity SPECULATIVE 0.0731 0.09090909090909091 benazepril Speculative: Review folic_acid off-target effects vs obesity mechanism. Phenotypic screen recommended. tetrahydrofolic_acid obesity SPECULATIVE 0.0731 0.09090909090909091 benazepril Speculative: Review tetrahydrofolic_acid off-target effects vs obesity mechanism. Phenotypic screen recommended. pipotiazine penile_cancer SPECULATIVE 0.0731 0.08 oxybuprocaine Speculative: Review pipotiazine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. triflupromazine pharynx_cancer SPECULATIVE 0.0731 0.07142857142857142 ifenprodil Speculative: Review triflupromazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. betamethasone chronic_kidney_failure SPECULATIVE 0.0731 0.06060606060606061 methadone Speculative: Review betamethasone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. warfarin intracranial_aneurysm SPECULATIVE 0.0731 0.058823529411764705 procarbazine Speculative: Review warfarin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. carbidopa gilles_de_la_tourette_syndrome SPECULATIVE 0.0731 0.047619047619047616 tolterodine Speculative: Review carbidopa off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. l-serine urinary_bladder_cancer SPECULATIVE 0.0731 0.045454545454545456 lacosamide Speculative: Review l-serine off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. erlotinib chronic_obstructive_pulmonary_disease SPECULATIVE 0.0731 0.043478260869565216 masoprocol Speculative: Review erlotinib off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. l-serine thymus_cancer SPECULATIVE 0.0731 0.029411764705882353 melphalan Speculative: Review l-serine off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. alimemazine hepatitis_b SPECULATIVE 0.0731 0.025 adenosine_triphosphate Speculative: Review alimemazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. drospirenone lymphatic_system_cancer SPECULATIVE 0.0731 0.023255813953488372 adenosine_triphosphate Speculative: Review drospirenone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. abacavir coronary_artery_disease SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. abacavir narcolepsy SPECULATIVE 0.0731 0.0 phenylbutazone Speculative: Review abacavir off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. anisotropine_methylbromide melanoma SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review anisotropine_methylbromide off-target effects vs melanoma mechanism. Phenotypic screen recommended. benzphetamine brain_cancer SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. benzphetamine intracranial_aneurysm SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. entecavir chronic_kidney_failure SPECULATIVE 0.0731 0.0 cinolazepam Speculative: Review entecavir off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. pentostatin amyotrophic_lateral_sclerosis SPECULATIVE 0.0731 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. pentostatin autistic_disorder SPECULATIVE 0.0731 0.0 flurazepam Speculative: Review pentostatin off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. pentostatin nicotine_dependence SPECULATIVE 0.0731 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. pentostatin parkinsons_disease SPECULATIVE 0.0731 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. prochlorperazine alopecia_areata SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. tolterodine brain_cancer SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. tolterodine intracranial_aneurysm SPECULATIVE 0.0731 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. medrysone creutzfeldt-jakob_disease SPECULATIVE 0.073 0.09090909090909091 dextromethorphan Speculative: Review medrysone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. medrysone chronic_kidney_failure SPECULATIVE 0.073 0.06451612903225806 methadone Speculative: Review medrysone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. tiaprofenic_acid penile_cancer SPECULATIVE 0.073 0.05714285714285714 modafinil Speculative: Review tiaprofenic_acid off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. lamivudine narcolepsy SPECULATIVE 0.073 0.045454545454545456 melphalan Speculative: Review lamivudine off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. chlorpromazine brain_cancer SPECULATIVE 0.073 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. chlorpromazine intracranial_aneurysm SPECULATIVE 0.073 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. modafinil lymphatic_system_cancer SPECULATIVE 0.073 0.03571428571428571 vinblastine Speculative: Review modafinil off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. methotrimeprazine hepatitis_b SPECULATIVE 0.073 0.024390243902439025 adenosine_triphosphate Speculative: Review methotrimeprazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. beclomethasone acquired_immunodeficiency_syndrome SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review beclomethasone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. cyclizine hepatitis_b SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review cyclizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fluocinonide acquired_immunodeficiency_syndrome SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review fluocinonide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fluoxymesterone acquired_immunodeficiency_syndrome SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review fluoxymesterone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. indecainide hepatitis_b SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review indecainide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. loxapine hepatitis_b SPECULATIVE 0.073 0.0 mitiglinide Speculative: Review loxapine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. testosterone_propionate epilepsy_syndrome SPECULATIVE 0.0729 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. triflupromazine peripheral_nervous_system_neoplasm SPECULATIVE 0.0729 0.07692307692307693 propranolol Speculative: Review triflupromazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. acepromazine meningioma SPECULATIVE 0.0729 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. propranolol mediastinal_cancer SPECULATIVE 0.0729 0.06666666666666667 reboxetine Speculative: Review propranolol off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. l-serine ankylosing_spondylitis SPECULATIVE 0.0729 0.038461538461538464 phenacemide Speculative: Review l-serine off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. phenylbutazone lymphatic_system_cancer SPECULATIVE 0.0729 0.03225806451612903 riboflavin Speculative: Review phenylbutazone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. medrysone malaria SPECULATIVE 0.0729 0.02857142857142857 modafinil Speculative: Review medrysone off-target effects vs malaria mechanism. Phenotypic screen recommended. deferasirox focal_segmental_glomerulosclerosis SPECULATIVE 0.0729 0.0 methdilazine Speculative: Review deferasirox off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. menadione focal_segmental_glomerulosclerosis SPECULATIVE 0.0729 0.0 methdilazine Speculative: Review menadione off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. telbivudine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0729 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. telbivudine epilepsy_syndrome SPECULATIVE 0.0729 0.0 flurazepam Speculative: Review telbivudine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. drospirenone alzheimers_disease SPECULATIVE 0.0728 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. drospirenone parkinsons_disease SPECULATIVE 0.0728 0.1111111111111111 carbinoxamine Speculative: Review drospirenone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. mesalazine gilles_de_la_tourette_syndrome SPECULATIVE 0.0728 0.06666666666666667 trifluoperazine Speculative: Review mesalazine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. propranolol thymus_cancer SPECULATIVE 0.0728 0.06666666666666667 reboxetine Speculative: Review propranolol off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. promethazine glaucoma SPECULATIVE 0.0728 0.05 sotalol Speculative: Review promethazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. vandetanib alzheimers_disease SPECULATIVE 0.0728 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. vandetanib parkinsons_disease SPECULATIVE 0.0728 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. erlotinib creutzfeldt-jakob_disease SPECULATIVE 0.0728 0.038461538461538464 loperamide Speculative: Review erlotinib off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. chlorpromazine esophageal_cancer SPECULATIVE 0.0728 0.03225806451612903 melphalan Speculative: Review chlorpromazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. chlorcyclizine acquired_immunodeficiency_syndrome SPECULATIVE 0.0728 0.0 mitiglinide Speculative: Review chlorcyclizine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. diethylstilbestrol larynx_cancer SPECULATIVE 0.0728 0.0 vinblastine Speculative: Review diethylstilbestrol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. etoricoxib lymphatic_system_cancer SPECULATIVE 0.0728 0.0 vinblastine Speculative: Review etoricoxib off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. megestrol_acetate larynx_cancer SPECULATIVE 0.0728 0.0 vinblastine Speculative: Review megestrol_acetate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. pentostatin attention_deficit_hyperactivity_disorder SPECULATIVE 0.0728 0.0 flurazepam Speculative: Review pentostatin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. podofilox glaucoma SPECULATIVE 0.0728 0.0 pirbuterol Speculative: Review podofilox off-target effects vs glaucoma mechanism. Phenotypic screen recommended. propiomazine atherosclerosis SPECULATIVE 0.0728 0.0 fenoprofen Speculative: Review propiomazine off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. propiomazine lymphatic_system_cancer SPECULATIVE 0.0728 0.0 vinblastine Speculative: Review propiomazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. raloxifene atherosclerosis SPECULATIVE 0.0728 0.0 fenoprofen Speculative: Review raloxifene off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. methadone malignant_glioma SPECULATIVE 0.0727 0.0967741935483871 drospirenone Speculative: Review methadone off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. estrone creutzfeldt-jakob_disease SPECULATIVE 0.0727 0.09090909090909091 raloxifene Speculative: Review estrone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenylbutazone larynx_cancer SPECULATIVE 0.0727 0.05263157894736842 epirubicin Speculative: Review phenylbutazone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. vandetanib autistic_disorder SPECULATIVE 0.0727 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. ethopropazine hepatitis_b SPECULATIVE 0.0727 0.044444444444444446 adenosine_triphosphate Speculative: Review ethopropazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. promethazine hepatitis_b SPECULATIVE 0.0727 0.02564102564102564 adenosine_triphosphate Speculative: Review promethazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. perphenazine hepatitis_b SPECULATIVE 0.0727 0.024390243902439025 adenosine_triphosphate Speculative: Review perphenazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cladribine creutzfeldt-jakob_disease SPECULATIVE 0.0727 0.0 loxapine Speculative: Review cladribine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. clobazam germ_cell_cancer SPECULATIVE 0.0727 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. deferasirox gilles_de_la_tourette_syndrome SPECULATIVE 0.0727 0.0 loxapine Speculative: Review deferasirox off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. floxuridine creutzfeldt-jakob_disease SPECULATIVE 0.0727 0.0 loxapine Speculative: Review floxuridine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. goserelin meningioma SPECULATIVE 0.0727 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs meningioma mechanism. Phenotypic screen recommended. amcinonide narcolepsy SPECULATIVE 0.0726 0.09090909090909091 methadone Speculative: Review amcinonide off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. acepromazine thyroid_cancer SPECULATIVE 0.0726 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. estrone narcolepsy SPECULATIVE 0.0726 0.08333333333333333 ritodrine Speculative: Review estrone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. propranolol melanoma SPECULATIVE 0.0726 0.07142857142857142 tioguanine Speculative: Review propranolol off-target effects vs melanoma mechanism. Phenotypic screen recommended. diphenhydramine refractive_error SPECULATIVE 0.0726 0.06451612903225806 practolol Speculative: Review diphenhydramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methdilazine brain_cancer SPECULATIVE 0.0726 0.047619047619047616 alendronate Speculative: Review methdilazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methdilazine intracranial_aneurysm SPECULATIVE 0.0726 0.047619047619047616 alendronate Speculative: Review methdilazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenytoin type_1_diabetes_mellitus SPECULATIVE 0.0726 0.046511627906976744 bezafibrate Speculative: Review phenytoin off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. lamivudine coronary_artery_disease SPECULATIVE 0.0726 0.043478260869565216 chloroprocaine Speculative: Review lamivudine off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. meclizine brain_cancer SPECULATIVE 0.0726 0.041666666666666664 clodronate Speculative: Review meclizine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. meclizine intracranial_aneurysm SPECULATIVE 0.0726 0.041666666666666664 etidronic_acid Speculative: Review meclizine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. erlotinib brain_cancer SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review erlotinib off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. erlotinib intracranial_aneurysm SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review erlotinib off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fosphenytoin alopecia_areata SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mepenzolate brain_cancer SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mepenzolate intracranial_aneurysm SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. pentostatin panic_disorder SPECULATIVE 0.0726 0.0 flurazepam Speculative: Review pentostatin off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. pentostatin schizophrenia SPECULATIVE 0.0726 0.0 flurazepam Speculative: Review pentostatin off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. phenelzine alopecia_areata SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review phenelzine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phenindamine alopecia_areata SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review phenindamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. phentermine alopecia_areata SPECULATIVE 0.0726 0.0 hydrocortisone Speculative: Review phentermine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. hydrocortisone alzheimers_disease SPECULATIVE 0.0725 0.10714285714285714 levorphanol Speculative: Review hydrocortisone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. amcinonide epilepsy_syndrome SPECULATIVE 0.0725 0.1 floctafenine Speculative: Review amcinonide off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. progesterone narcolepsy SPECULATIVE 0.0725 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. drospirenone membranous_glomerulonephritis SPECULATIVE 0.0725 0.07692307692307693 bumetanide Speculative: Review drospirenone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. folic_acid chronic_obstructive_pulmonary_disease SPECULATIVE 0.0725 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid chronic_obstructive_pulmonary_disease SPECULATIVE 0.0725 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. testosterone_propionate membranous_glomerulonephritis SPECULATIVE 0.0725 0.06521739130434782 fenoprofen Speculative: Review testosterone_propionate off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. tiaprofenic_acid meningioma SPECULATIVE 0.0725 0.058823529411764705 prednicarbate Speculative: Review tiaprofenic_acid off-target effects vs meningioma mechanism. Phenotypic screen recommended. fludrocortisone larynx_cancer SPECULATIVE 0.0725 0.05263157894736842 pantoprazole Speculative: Review fludrocortisone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methyldopa gilles_de_la_tourette_syndrome SPECULATIVE 0.0725 0.05 tolterodine Speculative: Review methyldopa off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. vandetanib attention_deficit_hyperactivity_disorder SPECULATIVE 0.0725 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. phenacemide focal_segmental_glomerulosclerosis SPECULATIVE 0.0725 0.045454545454545456 terbinafine Speculative: Review phenacemide off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. l-serine stomach_cancer SPECULATIVE 0.0725 0.04477611940298507 l-dopa Speculative: Review l-serine off-target effects vs stomach_cancer mechanism. Phenotypic screen recommended. l-histidine prostate_cancer SPECULATIVE 0.0725 0.037037037037037035 fenoprofen Speculative: Review l-histidine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. diphenhydramine larynx_cancer SPECULATIVE 0.0725 0.034482758620689655 epirubicin Speculative: Review diphenhydramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. propericiazine hepatitis_b SPECULATIVE 0.0725 0.024390243902439025 adenosine_triphosphate Speculative: Review propericiazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. thiothixene hepatitis_b SPECULATIVE 0.0725 0.019230769230769232 adenosine_triphosphate Speculative: Review thiothixene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. erlotinib membranous_glomerulonephritis SPECULATIVE 0.0725 0.014925373134328358 adenosine_monophosphate Speculative: Review erlotinib off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. acetophenazine hepatitis_b SPECULATIVE 0.0725 0.0 mitiglinide Speculative: Review acetophenazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. atropine lymphatic_system_cancer SPECULATIVE 0.0725 0.0 vinblastine Speculative: Review atropine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorprothixene lymphatic_system_cancer SPECULATIVE 0.0725 0.0 vinblastine Speculative: Review chlorprothixene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clocortolone acquired_immunodeficiency_syndrome SPECULATIVE 0.0725 0.0 mitiglinide Speculative: Review clocortolone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. difluprednate acquired_immunodeficiency_syndrome SPECULATIVE 0.0725 0.0 mitiglinide Speculative: Review difluprednate off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. doxepin hepatitis_b SPECULATIVE 0.0725 0.0 mitiglinide Speculative: Review doxepin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin crohns_disease SPECULATIVE 0.0725 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs crohns_disease mechanism. Phenotypic screen recommended. pentostatin asthma SPECULATIVE 0.0725 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs asthma mechanism. Phenotypic screen recommended. pentostatin atopic_dermatitis SPECULATIVE 0.0725 0.0 cinolazepam Speculative: Review pentostatin off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. pentostatin conduct_disorder SPECULATIVE 0.0725 0.0 flurazepam Speculative: Review pentostatin off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. hydrocortisone nicotine_dependence SPECULATIVE 0.0724 0.10714285714285714 levorphanol Speculative: Review hydrocortisone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. pipotiazine germ_cell_cancer SPECULATIVE 0.0724 0.07142857142857142 podofilox Speculative: Review pipotiazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenacemide germ_cell_cancer SPECULATIVE 0.0724 0.06451612903225806 melphalan Speculative: Review phenacemide off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. methdilazine refractive_error SPECULATIVE 0.0724 0.05263157894736842 metaraminol Speculative: Review methdilazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vandetanib amyotrophic_lateral_sclerosis SPECULATIVE 0.0724 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. l-serine melanoma SPECULATIVE 0.0724 0.03125 cyclopentolate Speculative: Review l-serine off-target effects vs melanoma mechanism. Phenotypic screen recommended. isopropamide hepatitis_b SPECULATIVE 0.0724 0.025 adenosine_triphosphate Speculative: Review isopropamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pentostatin allergic_rhinitis SPECULATIVE 0.0724 0.0 flurazepam Speculative: Review pentostatin off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. pentostatin bipolar_disorder SPECULATIVE 0.0724 0.0 flurazepam Speculative: Review pentostatin off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. testosterone_propionate alzheimers_disease SPECULATIVE 0.0723 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. amcinonide refractive_error SPECULATIVE 0.0723 0.06666666666666667 succinylcholine Speculative: Review amcinonide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. warfarin head_and_neck_cancer SPECULATIVE 0.0723 0.058823529411764705 procarbazine Speculative: Review warfarin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. warfarin malignant_glioma SPECULATIVE 0.0723 0.058823529411764705 procarbazine Speculative: Review warfarin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. testosterone_propionate refractive_error SPECULATIVE 0.0723 0.05555555555555555 dinoprost_tromethamine Speculative: Review testosterone_propionate off-target effects vs refractive_error mechanism. Phenotypic screen recommended. gemcitabine alzheimers_disease SPECULATIVE 0.0723 0.045454545454545456 acetylsalicylic_acid Speculative: Review gemcitabine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. gemcitabine parkinsons_disease SPECULATIVE 0.0723 0.045454545454545456 acetylsalicylic_acid Speculative: Review gemcitabine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. procainamide psoriatic_arthritis SPECULATIVE 0.0723 0.04477611940298507 sorafenib Speculative: Review procainamide off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. betamethasone hepatitis_b SPECULATIVE 0.0723 0.022727272727272728 adenosine_triphosphate Speculative: Review betamethasone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. l-serine penile_cancer SPECULATIVE 0.0723 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. benzphetamine head_and_neck_cancer SPECULATIVE 0.0723 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. benzphetamine malignant_glioma SPECULATIVE 0.0723 0.0 hydrocortisone Speculative: Review benzphetamine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. exemestane acquired_immunodeficiency_syndrome SPECULATIVE 0.0723 0.0 mitiglinide Speculative: Review exemestane off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. medrysone acquired_immunodeficiency_syndrome SPECULATIVE 0.0723 0.0 mitiglinide Speculative: Review medrysone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. mesalazine acquired_immunodeficiency_syndrome SPECULATIVE 0.0723 0.0 mitiglinide Speculative: Review mesalazine off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. pentostatin endogenous_depression SPECULATIVE 0.0723 0.0 flurazepam Speculative: Review pentostatin off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. telbivudine alzheimers_disease SPECULATIVE 0.0723 0.0 flurazepam Speculative: Review telbivudine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. telbivudine parkinsons_disease SPECULATIVE 0.0723 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. tolterodine head_and_neck_cancer SPECULATIVE 0.0723 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. tolterodine malignant_glioma SPECULATIVE 0.0723 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. hydrocortisone narcolepsy SPECULATIVE 0.0722 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. testosterone_propionate parkinsons_disease SPECULATIVE 0.0722 0.09090909090909091 carbinoxamine Speculative: Review testosterone_propionate off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. acepromazine muscle_cancer SPECULATIVE 0.0722 0.08333333333333333 isopropamide Speculative: Review acepromazine off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. phenacemide prostate_cancer SPECULATIVE 0.0722 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. fenoprofen brain_cancer SPECULATIVE 0.0722 0.07142857142857142 drospirenone Speculative: Review fenoprofen off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. folic_acid coronary_artery_disease SPECULATIVE 0.0722 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. folic_acid narcolepsy SPECULATIVE 0.0722 0.06666666666666667 l-arginine Speculative: Review folic_acid off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. methyldopa membranous_glomerulonephritis SPECULATIVE 0.0722 0.06666666666666667 fenoprofen Speculative: Review methyldopa off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid coronary_artery_disease SPECULATIVE 0.0722 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid narcolepsy SPECULATIVE 0.0722 0.06666666666666667 l-arginine Speculative: Review tetrahydrofolic_acid off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. vandetanib asthma SPECULATIVE 0.0722 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs asthma mechanism. Phenotypic screen recommended. methotrexate creutzfeldt-jakob_disease SPECULATIVE 0.0722 0.041666666666666664 pseudoephedrine Speculative: Review methotrexate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenytoin esophageal_cancer SPECULATIVE 0.0722 0.04 pantoprazole Speculative: Review phenytoin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. fluticasone_propionate hepatitis_b SPECULATIVE 0.0722 0.02564102564102564 adenosine_triphosphate Speculative: Review fluticasone_propionate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clozapine esophageal_cancer SPECULATIVE 0.0722 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. deferasirox glaucoma SPECULATIVE 0.0722 0.0 pirbuterol Speculative: Review deferasirox off-target effects vs glaucoma mechanism. Phenotypic screen recommended. prochlorperazine esophageal_cancer SPECULATIVE 0.0722 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. telbivudine amyotrophic_lateral_sclerosis SPECULATIVE 0.0722 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. telbivudine autistic_disorder SPECULATIVE 0.0722 0.0 flurazepam Speculative: Review telbivudine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. telbivudine nicotine_dependence SPECULATIVE 0.0722 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. tolterodine kidney_cancer SPECULATIVE 0.0722 0.0 oxybuprocaine Speculative: Review tolterodine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. rimexolone alzheimers_disease SPECULATIVE 0.0721 0.09523809523809523 mefenamic_acid Speculative: Review rimexolone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. rimexolone parkinsons_disease SPECULATIVE 0.0721 0.09523809523809523 mefenamic_acid Speculative: Review rimexolone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. mesalazine brain_cancer SPECULATIVE 0.0721 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mesalazine intracranial_aneurysm SPECULATIVE 0.0721 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. dimetacrine glaucoma SPECULATIVE 0.0721 0.05555555555555555 metaraminol Speculative: Review dimetacrine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. estrone chronic_kidney_failure SPECULATIVE 0.0721 0.05555555555555555 clotrimazole Speculative: Review estrone off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. toremifene larynx_cancer SPECULATIVE 0.0721 0.05555555555555555 epirubicin Speculative: Review toremifene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. methdilazine malignant_glioma SPECULATIVE 0.0721 0.05 vinblastine Speculative: Review methdilazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. vandetanib allergic_rhinitis SPECULATIVE 0.0721 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. vandetanib hypertension SPECULATIVE 0.0721 0.046153846153846156 acetylsalicylic_acid Speculative: Review vandetanib off-target effects vs hypertension mechanism. Phenotypic screen recommended. chlorpromazine head_and_neck_cancer SPECULATIVE 0.0721 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlorpromazine malignant_glioma SPECULATIVE 0.0721 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. cladribine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review cladribine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. cladribine epilepsy_syndrome SPECULATIVE 0.0721 0.0 flurazepam Speculative: Review cladribine off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. clobazam penile_cancer SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. cortisone_acetate lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review cortisone_acetate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. eplerenone hepatitis_b SPECULATIVE 0.0721 0.0 mitiglinide Speculative: Review eplerenone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. floxuridine chronic_obstructive_pulmonary_disease SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review floxuridine off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. fluorometholone lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review fluorometholone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. flurandrenolide lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review flurandrenolide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. gemcitabine alopecia_areata SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review gemcitabine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. goserelin idiopathic_pulmonary_fibrosis SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. loteprednol lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review loteprednol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mequitazine lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review mequitazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pargyline alopecia_areata SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review pargyline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. prednicarbate lymphatic_system_cancer SPECULATIVE 0.0721 0.0 vinblastine Speculative: Review prednicarbate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. tolterodine nephrolithiasis SPECULATIVE 0.0721 0.0 hydrocortisone Speculative: Review tolterodine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. rimexolone autistic_disorder SPECULATIVE 0.072 0.09523809523809523 mefenamic_acid Speculative: Review rimexolone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. rimexolone nicotine_dependence SPECULATIVE 0.072 0.09523809523809523 mefenamic_acid Speculative: Review rimexolone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. methotrexate alzheimers_disease SPECULATIVE 0.072 0.047619047619047616 acetylsalicylic_acid Speculative: Review methotrexate off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. carbidopa intracranial_aneurysm SPECULATIVE 0.072 0.045454545454545456 procarbazine Speculative: Review carbidopa off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. toremifene lymphatic_system_cancer SPECULATIVE 0.072 0.03333333333333333 riboflavin Speculative: Review toremifene off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. pipotiazine hepatitis_b SPECULATIVE 0.072 0.023809523809523808 adenosine_triphosphate Speculative: Review pipotiazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. deferasirox brain_cancer SPECULATIVE 0.072 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. deferasirox intracranial_aneurysm SPECULATIVE 0.072 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. mitiglinide brain_cancer SPECULATIVE 0.072 0.0 hydrocortisone Speculative: Review mitiglinide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. mitiglinide intracranial_aneurysm SPECULATIVE 0.072 0.0 hydrocortisone Speculative: Review mitiglinide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. telbivudine attention_deficit_hyperactivity_disorder SPECULATIVE 0.072 0.0 flurazepam Speculative: Review telbivudine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. methadone head_and_neck_cancer SPECULATIVE 0.0719 0.09090909090909091 amcinonide Speculative: Review methadone off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenacemide gout SPECULATIVE 0.0719 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs gout mechanism. Phenotypic screen recommended. clofedanol glaucoma SPECULATIVE 0.0719 0.07142857142857142 metaraminol Speculative: Review clofedanol off-target effects vs glaucoma mechanism. Phenotypic screen recommended. methdilazine nephrolithiasis SPECULATIVE 0.0719 0.05 vinblastine Speculative: Review methdilazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenytoin alopecia_areata SPECULATIVE 0.0719 0.03225806451612903 fluticasone_propionate Speculative: Review phenytoin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. spironolactone hepatitis_b SPECULATIVE 0.0719 0.02564102564102564 adenosine_triphosphate Speculative: Review spironolactone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. abacavir creutzfeldt-jakob_disease SPECULATIVE 0.0719 0.0 loxapine Speculative: Review abacavir off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acetophenazine larynx_cancer SPECULATIVE 0.0719 0.0 vinblastine Speculative: Review acetophenazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. l-histidine larynx_cancer SPECULATIVE 0.0719 0.0 vinblastine Speculative: Review l-histidine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine larynx_cancer SPECULATIVE 0.0719 0.0 vinblastine Speculative: Review phenylpropanolamine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. hydrocortisone conduct_disorder SPECULATIVE 0.0718 0.10714285714285714 levorphanol Speculative: Review hydrocortisone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. pipotiazine meningioma SPECULATIVE 0.0718 0.07692307692307693 loperamide Speculative: Review pipotiazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. modafinil alopecia_areata SPECULATIVE 0.0718 0.05714285714285714 drospirenone Speculative: Review modafinil off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. droxidopa intracranial_aneurysm SPECULATIVE 0.0718 0.05 procarbazine Speculative: Review droxidopa off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. vandetanib atopic_dermatitis SPECULATIVE 0.0718 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. meclizine head_and_neck_cancer SPECULATIVE 0.0718 0.041666666666666664 clodronate Speculative: Review meclizine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. meclizine malignant_glioma SPECULATIVE 0.0718 0.041666666666666664 etidronic_acid Speculative: Review meclizine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. procainamide metabolic_syndrome_x SPECULATIVE 0.0718 0.031746031746031744 lacosamide Speculative: Review procainamide off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. clotrimazole lymphatic_system_cancer SPECULATIVE 0.0718 0.0 vinblastine Speculative: Review clotrimazole off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. goserelin gout SPECULATIVE 0.0718 0.0 methdilazine Speculative: Review goserelin off-target effects vs gout mechanism. Phenotypic screen recommended. loperamide acquired_immunodeficiency_syndrome SPECULATIVE 0.0718 0.0 mitiglinide Speculative: Review loperamide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. methotrexate focal_segmental_glomerulosclerosis SPECULATIVE 0.0718 0.0 methdilazine Speculative: Review methotrexate off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. rimexolone acquired_immunodeficiency_syndrome SPECULATIVE 0.0718 0.0 mitiglinide Speculative: Review rimexolone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fluoxymesterone glaucoma SPECULATIVE 0.0717 0.05555555555555555 dinoprost_tromethamine Speculative: Review fluoxymesterone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. methdilazine head_and_neck_cancer SPECULATIVE 0.0717 0.047619047619047616 alendronate Speculative: Review methdilazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. erlotinib atopic_dermatitis SPECULATIVE 0.0717 0.043478260869565216 masoprocol Speculative: Review erlotinib off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. chlorpromazine nephrolithiasis SPECULATIVE 0.0717 0.04 alendronate Speculative: Review chlorpromazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenacemide alopecia_areata SPECULATIVE 0.0717 0.034482758620689655 fluticasone_propionate Speculative: Review phenacemide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. amitriptyline alopecia_areata SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review amitriptyline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. bepridil alopecia_areata SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review bepridil off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. erlotinib head_and_neck_cancer SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review erlotinib off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fosphenytoin esophageal_cancer SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. mepenzolate head_and_neck_cancer SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. mepenzolate malignant_glioma SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenindamine esophageal_cancer SPECULATIVE 0.0717 0.0 hydrocortisone Speculative: Review phenindamine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. telbivudine asthma SPECULATIVE 0.0717 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs asthma mechanism. Phenotypic screen recommended. telbivudine panic_disorder SPECULATIVE 0.0717 0.0 flurazepam Speculative: Review telbivudine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. telbivudine schizophrenia SPECULATIVE 0.0717 0.0 flurazepam Speculative: Review telbivudine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. fludrocortisone alzheimers_disease SPECULATIVE 0.0716 0.1111111111111111 levorphanol Speculative: Review fludrocortisone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. hydrocortisone endogenous_depression SPECULATIVE 0.0716 0.10714285714285714 levorphanol Speculative: Review hydrocortisone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. amcinonide attention_deficit_hyperactivity_disorder SPECULATIVE 0.0716 0.1 floctafenine Speculative: Review amcinonide off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. medrysone autistic_disorder SPECULATIVE 0.0716 0.09090909090909091 dextromethorphan Speculative: Review medrysone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. fluticasone_propionate nicotine_dependence SPECULATIVE 0.0716 0.08333333333333333 cinnarizine Speculative: Review fluticasone_propionate off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. testolactone narcolepsy SPECULATIVE 0.0716 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. perphenazine pharynx_cancer SPECULATIVE 0.0716 0.08 loperamide Speculative: Review perphenazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. modafinil refractive_error SPECULATIVE 0.0716 0.07692307692307693 metaraminol Speculative: Review modafinil off-target effects vs refractive_error mechanism. Phenotypic screen recommended. thioproperazine germ_cell_cancer SPECULATIVE 0.0716 0.07142857142857142 topotecan Speculative: Review thioproperazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenacemide malignant_mesothelioma SPECULATIVE 0.0716 0.06451612903225806 melphalan Speculative: Review phenacemide off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. carbidopa brain_cancer SPECULATIVE 0.0716 0.043478260869565216 estrone Speculative: Review carbidopa off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fentanyl larynx_cancer SPECULATIVE 0.0716 0.043478260869565216 epirubicin Speculative: Review fentanyl off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. aceprometazine hepatitis_b SPECULATIVE 0.0716 0.0 mitiglinide Speculative: Review aceprometazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. amcinonide acquired_immunodeficiency_syndrome SPECULATIVE 0.0716 0.0 mitiglinide Speculative: Review amcinonide off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. brompheniramine hepatitis_b SPECULATIVE 0.0716 0.0 mitiglinide Speculative: Review brompheniramine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cabazitaxel gilles_de_la_tourette_syndrome SPECULATIVE 0.0716 0.0 loxapine Speculative: Review cabazitaxel off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. goserelin coronary_artery_disease SPECULATIVE 0.0716 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs coronary_artery_disease mechanism. Phenotypic screen recommended. goserelin hematologic_cancer SPECULATIVE 0.0716 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. goserelin narcolepsy SPECULATIVE 0.0716 0.0 phenylbutazone Speculative: Review goserelin off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. mepenzolate kidney_cancer SPECULATIVE 0.0716 0.0 oxybuprocaine Speculative: Review mepenzolate off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. methotrexate gilles_de_la_tourette_syndrome SPECULATIVE 0.0716 0.0 loxapine Speculative: Review methotrexate off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. paclitaxel gilles_de_la_tourette_syndrome SPECULATIVE 0.0716 0.0 loxapine Speculative: Review paclitaxel off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. telbivudine atopic_dermatitis SPECULATIVE 0.0716 0.0 cinolazepam Speculative: Review telbivudine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. telbivudine conduct_disorder SPECULATIVE 0.0716 0.0 flurazepam Speculative: Review telbivudine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. telbivudine hypertension SPECULATIVE 0.0716 0.0 hydrocortisone Speculative: Review telbivudine off-target effects vs hypertension mechanism. Phenotypic screen recommended. testolactone acquired_immunodeficiency_syndrome SPECULATIVE 0.0716 0.0 mitiglinide Speculative: Review testolactone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. fludrocortisone nicotine_dependence SPECULATIVE 0.0715 0.1111111111111111 levorphanol Speculative: Review fludrocortisone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. salicylate-sodium urinary_bladder_cancer SPECULATIVE 0.0715 0.08333333333333333 procarbazine Speculative: Review salicylate-sodium off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. promethazine refractive_error SPECULATIVE 0.0715 0.05 sotalol Speculative: Review promethazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vandetanib migraine SPECULATIVE 0.0715 0.04411764705882353 pseudoephedrine Speculative: Review vandetanib off-target effects vs migraine mechanism. Phenotypic screen recommended. dydrogesterone hepatitis_b SPECULATIVE 0.0715 0.022222222222222223 adenosine_triphosphate Speculative: Review dydrogesterone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. phenytoin hepatitis_b SPECULATIVE 0.0715 0.01818181818181818 adenosine_triphosphate Speculative: Review phenytoin off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. l-serine meningioma SPECULATIVE 0.0715 0.015151515151515152 fluticasone_propionate Speculative: Review l-serine off-target effects vs meningioma mechanism. Phenotypic screen recommended. cabazitaxel type_1_diabetes_mellitus SPECULATIVE 0.0715 0.0 hydrocortisone Speculative: Review cabazitaxel off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. cortisone_acetate malaria SPECULATIVE 0.0715 0.0 ethotoin Speculative: Review cortisone_acetate off-target effects vs malaria mechanism. Phenotypic screen recommended. fluorometholone malaria SPECULATIVE 0.0715 0.0 ethotoin Speculative: Review fluorometholone off-target effects vs malaria mechanism. Phenotypic screen recommended. mepenzolate nephrolithiasis SPECULATIVE 0.0715 0.0 hydrocortisone Speculative: Review mepenzolate off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. prednicarbate malaria SPECULATIVE 0.0715 0.0 ethotoin Speculative: Review prednicarbate off-target effects vs malaria mechanism. Phenotypic screen recommended. telbivudine allergic_rhinitis SPECULATIVE 0.0715 0.0 flurazepam Speculative: Review telbivudine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. telbivudine bipolar_disorder SPECULATIVE 0.0715 0.0 flurazepam Speculative: Review telbivudine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. amcinonide creutzfeldt-jakob_disease SPECULATIVE 0.0714 0.09090909090909091 methadone Speculative: Review amcinonide off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. estrone parkinsons_disease SPECULATIVE 0.0714 0.09090909090909091 raloxifene Speculative: Review estrone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. medrysone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0714 0.09090909090909091 dextromethorphan Speculative: Review medrysone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. droxidopa brain_cancer SPECULATIVE 0.0714 0.047619047619047616 estrone Speculative: Review droxidopa off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pheniramine brain_cancer SPECULATIVE 0.0714 0.043478260869565216 epirubicin Speculative: Review pheniramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. pheniramine intracranial_aneurysm SPECULATIVE 0.0714 0.043478260869565216 epirubicin Speculative: Review pheniramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. lacosamide meningioma SPECULATIVE 0.0714 0.038461538461538464 loperamide Speculative: Review lacosamide off-target effects vs meningioma mechanism. Phenotypic screen recommended. pheniramine hepatitis_b SPECULATIVE 0.0714 0.02 adenosine_triphosphate Speculative: Review pheniramine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cladribine alzheimers_disease SPECULATIVE 0.0714 0.0 flurazepam Speculative: Review cladribine off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. cladribine parkinsons_disease SPECULATIVE 0.0714 0.0 cinolazepam Speculative: Review cladribine off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. lacosamide larynx_cancer SPECULATIVE 0.0714 0.0 vinblastine Speculative: Review lacosamide off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. telbivudine endogenous_depression SPECULATIVE 0.0714 0.0 flurazepam Speculative: Review telbivudine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. trifluoperazine lymphatic_system_cancer SPECULATIVE 0.0714 0.0 vinblastine Speculative: Review trifluoperazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. amcinonide schizophrenia SPECULATIVE 0.0713 0.1 floctafenine Speculative: Review amcinonide off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. estrone amyotrophic_lateral_sclerosis SPECULATIVE 0.0713 0.09090909090909091 raloxifene Speculative: Review estrone off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. perphenazine ocular_cancer SPECULATIVE 0.0713 0.08333333333333333 metaraminol Speculative: Review perphenazine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. folic_acid panic_disorder SPECULATIVE 0.0713 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. folic_acid schizophrenia SPECULATIVE 0.0713 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. tetrahydrofolic_acid panic_disorder SPECULATIVE 0.0713 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. tetrahydrofolic_acid schizophrenia SPECULATIVE 0.0713 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. mesalazine malignant_glioma SPECULATIVE 0.0713 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. methyldopa intracranial_aneurysm SPECULATIVE 0.0713 0.047619047619047616 procarbazine Speculative: Review methyldopa off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chlorprothixene brain_cancer SPECULATIVE 0.0713 0.03333333333333333 levorphanol Speculative: Review chlorprothixene off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. abacavir chronic_obstructive_pulmonary_disease SPECULATIVE 0.0713 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. cladribine amyotrophic_lateral_sclerosis SPECULATIVE 0.0713 0.0 cinolazepam Speculative: Review cladribine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. cladribine autistic_disorder SPECULATIVE 0.0713 0.0 flurazepam Speculative: Review cladribine off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. cladribine nicotine_dependence SPECULATIVE 0.0713 0.0 cinolazepam Speculative: Review cladribine off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. clobazam meningioma SPECULATIVE 0.0713 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs meningioma mechanism. Phenotypic screen recommended. floxuridine amyotrophic_lateral_sclerosis SPECULATIVE 0.0713 0.0 cinolazepam Speculative: Review floxuridine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. chlorcyclizine primary_biliary_cirrhosis SPECULATIVE 0.0712 0.08823529411764706 drospirenone Speculative: Review chlorcyclizine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. folic_acid asthma SPECULATIVE 0.0712 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs asthma mechanism. Phenotypic screen recommended. tetrahydrofolic_acid asthma SPECULATIVE 0.0712 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs asthma mechanism. Phenotypic screen recommended. mesalazine kidney_cancer SPECULATIVE 0.0712 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. fluoxymesterone gilles_de_la_tourette_syndrome SPECULATIVE 0.0712 0.05 flunarizine Speculative: Review fluoxymesterone off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. pheniramine head_and_neck_cancer SPECULATIVE 0.0712 0.047619047619047616 topotecan Speculative: Review pheniramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. pheniramine malignant_glioma SPECULATIVE 0.0712 0.047619047619047616 topotecan Speculative: Review pheniramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clozapine primary_biliary_cirrhosis SPECULATIVE 0.0712 0.03125 bezafibrate Speculative: Review clozapine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. thioproperazine hepatitis_b SPECULATIVE 0.0712 0.023255813953488372 adenosine_triphosphate Speculative: Review thioproperazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. abacavir epilepsy_syndrome SPECULATIVE 0.0712 0.0 flurazepam Speculative: Review abacavir off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. atomoxetine alopecia_areata SPECULATIVE 0.0712 0.0 hydrocortisone Speculative: Review atomoxetine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cyclizine alopecia_areata SPECULATIVE 0.0712 0.0 hydrocortisone Speculative: Review cyclizine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. indecainide alopecia_areata SPECULATIVE 0.0712 0.0 hydrocortisone Speculative: Review indecainide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. loxapine alopecia_areata SPECULATIVE 0.0712 0.0 hydrocortisone Speculative: Review loxapine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. triflupromazine hepatitis_b SPECULATIVE 0.0712 0.0 mitiglinide Speculative: Review triflupromazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. folic_acid allergic_rhinitis SPECULATIVE 0.0711 0.07692307692307693 dienestrol Speculative: Review folic_acid off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid allergic_rhinitis SPECULATIVE 0.0711 0.07692307692307693 dienestrol Speculative: Review tetrahydrofolic_acid off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. mesalazine nephrolithiasis SPECULATIVE 0.0711 0.06666666666666667 estrone Speculative: Review mesalazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. medrysone membranous_glomerulonephritis SPECULATIVE 0.0711 0.0625 calcitriol Speculative: Review medrysone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. l-tyrosine nephrolithiasis SPECULATIVE 0.0711 0.05 fluoxymesterone Speculative: Review l-tyrosine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. carbidopa head_and_neck_cancer SPECULATIVE 0.0711 0.045454545454545456 procarbazine Speculative: Review carbidopa off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. carbidopa malignant_glioma SPECULATIVE 0.0711 0.045454545454545456 procarbazine Speculative: Review carbidopa off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlorprothixene refractive_error SPECULATIVE 0.0711 0.038461538461538464 practolol Speculative: Review chlorprothixene off-target effects vs refractive_error mechanism. Phenotypic screen recommended. fosphenytoin primary_biliary_cirrhosis SPECULATIVE 0.0711 0.029411764705882353 bezafibrate Speculative: Review fosphenytoin off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. tamoxifen hepatitis_b SPECULATIVE 0.0711 0.02631578947368421 adenosine_triphosphate Speculative: Review tamoxifen off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cladribine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0711 0.0 flurazepam Speculative: Review cladribine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. deferasirox head_and_neck_cancer SPECULATIVE 0.0711 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. deferasirox malignant_glioma SPECULATIVE 0.0711 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. fludrocortisone acquired_immunodeficiency_syndrome SPECULATIVE 0.0711 0.0 mitiglinide Speculative: Review fludrocortisone off-target effects vs acquired_immunodeficiency_syndrome mechanism. Phenotypic screen recommended. mitiglinide head_and_neck_cancer SPECULATIVE 0.0711 0.0 hydrocortisone Speculative: Review mitiglinide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. mitiglinide malignant_glioma SPECULATIVE 0.0711 0.0 hydrocortisone Speculative: Review mitiglinide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. hydrocortisone creutzfeldt-jakob_disease SPECULATIVE 0.071 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. droxidopa head_and_neck_cancer SPECULATIVE 0.071 0.05 procarbazine Speculative: Review droxidopa off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. droxidopa malignant_glioma SPECULATIVE 0.071 0.05 procarbazine Speculative: Review droxidopa off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. aceprometazine larynx_cancer SPECULATIVE 0.071 0.0 vinblastine Speculative: Review aceprometazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. brompheniramine larynx_cancer SPECULATIVE 0.071 0.0 vinblastine Speculative: Review brompheniramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. deferasirox kidney_cancer SPECULATIVE 0.071 0.0 oxybuprocaine Speculative: Review deferasirox off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. perphenazine peripheral_nervous_system_neoplasm SPECULATIVE 0.0709 0.08333333333333333 atropine Speculative: Review perphenazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. rimexolone creutzfeldt-jakob_disease SPECULATIVE 0.0709 0.08333333333333333 homatropine_methylbromide Speculative: Review rimexolone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. perphenazine salivary_gland_cancer SPECULATIVE 0.0709 0.08 loperamide Speculative: Review perphenazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. methadone glaucoma SPECULATIVE 0.0709 0.07692307692307693 pseudoephedrine Speculative: Review methadone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phenacemide duodenum_cancer SPECULATIVE 0.0709 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs duodenum_cancer mechanism. Phenotypic screen recommended. phenacemide gallbladder_cancer SPECULATIVE 0.0709 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs gallbladder_cancer mechanism. Phenotypic screen recommended. phenacemide melanoma SPECULATIVE 0.0709 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs melanoma mechanism. Phenotypic screen recommended. toremifene intracranial_aneurysm SPECULATIVE 0.0709 0.06896551724137931 progesterone Speculative: Review toremifene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. carbidopa prostate_cancer SPECULATIVE 0.0709 0.06521739130434782 fenoprofen Speculative: Review carbidopa off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. betamethasone membranous_glomerulonephritis SPECULATIVE 0.0709 0.05555555555555555 calcitriol Speculative: Review betamethasone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. promazine glaucoma SPECULATIVE 0.0709 0.047619047619047616 metaraminol Speculative: Review promazine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. warfarin brain_cancer SPECULATIVE 0.0709 0.045454545454545456 drospirenone Speculative: Review warfarin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diphenylpyraline lymphatic_system_cancer SPECULATIVE 0.0709 0.02564102564102564 riboflavin Speculative: Review diphenylpyraline off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. chlorpromazine type_1_diabetes_mellitus SPECULATIVE 0.0709 0.024390243902439025 bezafibrate Speculative: Review chlorpromazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. naftifine hepatitis_b SPECULATIVE 0.0709 0.02 adenosine_triphosphate Speculative: Review naftifine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clozapine intracranial_aneurysm SPECULATIVE 0.0709 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. deferasirox nephrolithiasis SPECULATIVE 0.0709 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. deferasirox refractive_error SPECULATIVE 0.0709 0.0 pirbuterol Speculative: Review deferasirox off-target effects vs refractive_error mechanism. Phenotypic screen recommended. prochlorperazine brain_cancer SPECULATIVE 0.0709 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. prochlorperazine intracranial_aneurysm SPECULATIVE 0.0709 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clofedanol head_and_neck_cancer SPECULATIVE 0.0708 0.07142857142857142 topotecan Speculative: Review clofedanol off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clofedanol malignant_glioma SPECULATIVE 0.0708 0.07142857142857142 topotecan Speculative: Review clofedanol off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dimetacrine refractive_error SPECULATIVE 0.0708 0.05555555555555555 metaraminol Speculative: Review dimetacrine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. trimipramine brain_cancer SPECULATIVE 0.0708 0.05 podofilox Speculative: Review trimipramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. trimipramine intracranial_aneurysm SPECULATIVE 0.0708 0.05 podofilox Speculative: Review trimipramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clofedanol lymphatic_system_cancer SPECULATIVE 0.0708 0.023255813953488372 riboflavin Speculative: Review clofedanol off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. carbinoxamine hepatitis_b SPECULATIVE 0.0708 0.0 mitiglinide Speculative: Review carbinoxamine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. cladribine asthma SPECULATIVE 0.0708 0.0 cinolazepam Speculative: Review cladribine off-target effects vs asthma mechanism. Phenotypic screen recommended. cladribine conduct_disorder SPECULATIVE 0.0708 0.0 flurazepam Speculative: Review cladribine off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. cladribine panic_disorder SPECULATIVE 0.0708 0.0 flurazepam Speculative: Review cladribine off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. cladribine schizophrenia SPECULATIVE 0.0708 0.0 flurazepam Speculative: Review cladribine off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. estrone lymphatic_system_cancer SPECULATIVE 0.0708 0.0 vinblastine Speculative: Review estrone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. gemcitabine focal_segmental_glomerulosclerosis SPECULATIVE 0.0708 0.0 methdilazine Speculative: Review gemcitabine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. progesterone membranous_glomerulonephritis SPECULATIVE 0.0707 0.06896551724137931 toremifene Speculative: Review progesterone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. lamivudine attention_deficit_hyperactivity_disorder SPECULATIVE 0.0707 0.047619047619047616 phenoxybenzamine Speculative: Review lamivudine off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. diphenhydramine hepatitis_b SPECULATIVE 0.0707 0.017857142857142856 adenosine_triphosphate Speculative: Review diphenhydramine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acetophenazine alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. alvimopan alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review alvimopan off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. butenafine alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review butenafine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cladribine allergic_rhinitis SPECULATIVE 0.0707 0.0 flurazepam Speculative: Review cladribine off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. cladribine atopic_dermatitis SPECULATIVE 0.0707 0.0 cinolazepam Speculative: Review cladribine off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. clobazam idiopathic_pulmonary_fibrosis SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. deferasirox chronic_kidney_failure SPECULATIVE 0.0707 0.0 cinolazepam Speculative: Review deferasirox off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. doxepin alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review doxepin off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. l-histidine alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. menadione chronic_kidney_failure SPECULATIVE 0.0707 0.0 cinolazepam Speculative: Review menadione off-target effects vs chronic_kidney_failure mechanism. Phenotypic screen recommended. phenylpropanolamine alopecia_areata SPECULATIVE 0.0707 0.0 hydrocortisone Speculative: Review phenylpropanolamine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. progesterone epilepsy_syndrome SPECULATIVE 0.0706 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. thioproperazine meningioma SPECULATIVE 0.0706 0.07407407407407407 loperamide Speculative: Review thioproperazine off-target effects vs meningioma mechanism. Phenotypic screen recommended. clofedanol refractive_error SPECULATIVE 0.0706 0.07142857142857142 metaraminol Speculative: Review clofedanol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. testolactone membranous_glomerulonephritis SPECULATIVE 0.0706 0.06451612903225806 dimetacrine Speculative: Review testolactone off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. testolactone glaucoma SPECULATIVE 0.0706 0.05 methacholine Speculative: Review testolactone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. chlorprothixene type_1_diabetes_mellitus SPECULATIVE 0.0706 0.02564102564102564 bezafibrate Speculative: Review chlorprothixene off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. clomipramine type_1_diabetes_mellitus SPECULATIVE 0.0706 0.024390243902439025 bezafibrate Speculative: Review clomipramine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. abacavir alzheimers_disease SPECULATIVE 0.0706 0.0 flurazepam Speculative: Review abacavir off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. abacavir parkinsons_disease SPECULATIVE 0.0706 0.0 cinolazepam Speculative: Review abacavir off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. cladribine bipolar_disorder SPECULATIVE 0.0706 0.0 flurazepam Speculative: Review cladribine off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. gemcitabine gilles_de_la_tourette_syndrome SPECULATIVE 0.0706 0.0 loxapine Speculative: Review gemcitabine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. triflupromazine larynx_cancer SPECULATIVE 0.0706 0.0 vinblastine Speculative: Review triflupromazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. phenylbutazone refractive_error SPECULATIVE 0.0705 0.06666666666666667 decamethonium Speculative: Review phenylbutazone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methyldopa head_and_neck_cancer SPECULATIVE 0.0705 0.047619047619047616 procarbazine Speculative: Review methyldopa off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. methyldopa malignant_glioma SPECULATIVE 0.0705 0.047619047619047616 procarbazine Speculative: Review methyldopa off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. carbidopa nephrolithiasis SPECULATIVE 0.0705 0.043478260869565216 estrone Speculative: Review carbidopa off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. erlotinib migraine SPECULATIVE 0.0705 0.038461538461538464 loperamide Speculative: Review erlotinib off-target effects vs migraine mechanism. Phenotypic screen recommended. loxapine primary_biliary_cirrhosis SPECULATIVE 0.0705 0.038461538461538464 benzatropine Speculative: Review loxapine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. fluocinonide hepatitis_b SPECULATIVE 0.0705 0.023809523809523808 adenosine_triphosphate Speculative: Review fluocinonide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. brompheniramine kidney_cancer SPECULATIVE 0.0705 0.018867924528301886 vandetanib Speculative: Review brompheniramine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. abacavir amyotrophic_lateral_sclerosis SPECULATIVE 0.0705 0.0 cinolazepam Speculative: Review abacavir off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. abacavir autistic_disorder SPECULATIVE 0.0705 0.0 flurazepam Speculative: Review abacavir off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. abacavir nicotine_dependence SPECULATIVE 0.0705 0.0 cinolazepam Speculative: Review abacavir off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. cladribine endogenous_depression SPECULATIVE 0.0705 0.0 flurazepam Speculative: Review cladribine off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. gemcitabine type_1_diabetes_mellitus SPECULATIVE 0.0705 0.0 hydrocortisone Speculative: Review gemcitabine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. testolactone creutzfeldt-jakob_disease SPECULATIVE 0.0704 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. betamethasone creutzfeldt-jakob_disease SPECULATIVE 0.0704 0.07692307692307693 dextromethorphan Speculative: Review betamethasone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. fluoxymesterone refractive_error SPECULATIVE 0.0704 0.05555555555555555 dinoprost_tromethamine Speculative: Review fluoxymesterone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. promazine hepatitis_b SPECULATIVE 0.0704 0.02 adenosine_triphosphate Speculative: Review promazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. brompheniramine nephrolithiasis SPECULATIVE 0.0704 0.018867924528301886 vandetanib Speculative: Review brompheniramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. acepromazine hepatitis_b SPECULATIVE 0.0704 0.0 mitiglinide Speculative: Review acepromazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorpromazine hepatitis_b SPECULATIVE 0.0704 0.0 mitiglinide Speculative: Review chlorpromazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clobazam primary_biliary_cirrhosis SPECULATIVE 0.0704 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. clomipramine hepatitis_b SPECULATIVE 0.0704 0.0 mitiglinide Speculative: Review clomipramine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. folic_acid atherosclerosis SPECULATIVE 0.0704 0.0 fenoprofen Speculative: Review folic_acid off-target effects vs atherosclerosis mechanism. Phenotypic screen recommended. fosphenytoin brain_cancer SPECULATIVE 0.0704 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fosphenytoin intracranial_aneurysm SPECULATIVE 0.0704 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. goserelin creutzfeldt-jakob_disease SPECULATIVE 0.0704 0.0 loxapine Speculative: Review goserelin off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. l-dopa malaria SPECULATIVE 0.0704 0.0 ethotoin Speculative: Review l-dopa off-target effects vs malaria mechanism. Phenotypic screen recommended. prednisone hepatitis_b SPECULATIVE 0.0704 0.0 mitiglinide Speculative: Review prednisone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fluoxymesterone epilepsy_syndrome SPECULATIVE 0.0703 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. folic_acid epilepsy_syndrome SPECULATIVE 0.0703 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. tetrahydrofolic_acid epilepsy_syndrome SPECULATIVE 0.0703 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. trimipramine head_and_neck_cancer SPECULATIVE 0.0703 0.05263157894736842 topotecan Speculative: Review trimipramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. trimipramine malignant_glioma SPECULATIVE 0.0703 0.05263157894736842 topotecan Speculative: Review trimipramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. droxidopa nephrolithiasis SPECULATIVE 0.0703 0.047619047619047616 estrone Speculative: Review droxidopa off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenacemide brain_cancer SPECULATIVE 0.0703 0.038461538461538464 alendronate Speculative: Review phenacemide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenacemide intracranial_aneurysm SPECULATIVE 0.0703 0.038461538461538464 alendronate Speculative: Review phenacemide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. drospirenone hepatitis_b SPECULATIVE 0.0703 0.023255813953488372 adenosine_triphosphate Speculative: Review drospirenone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. abacavir attention_deficit_hyperactivity_disorder SPECULATIVE 0.0703 0.0 flurazepam Speculative: Review abacavir off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. alendronate alopecia_areata SPECULATIVE 0.0703 0.0 hydrocortisone Speculative: Review alendronate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. etidronic_acid alopecia_areata SPECULATIVE 0.0703 0.0 hydrocortisone Speculative: Review etidronic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. lacosamide alopecia_areata SPECULATIVE 0.0703 0.0 hydrocortisone Speculative: Review lacosamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. pamidronate alopecia_areata SPECULATIVE 0.0703 0.0 hydrocortisone Speculative: Review pamidronate off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. acepromazine pharynx_cancer SPECULATIVE 0.0702 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. droxidopa membranous_glomerulonephritis SPECULATIVE 0.0702 0.05555555555555555 ergocalciferol Speculative: Review droxidopa off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. phenytoin brain_cancer SPECULATIVE 0.0702 0.03571428571428571 epirubicin Speculative: Review phenytoin off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenytoin intracranial_aneurysm SPECULATIVE 0.0702 0.03571428571428571 epirubicin Speculative: Review phenytoin off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. indecainide esophageal_cancer SPECULATIVE 0.0702 0.0 hydrocortisone Speculative: Review indecainide off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. amcinonide parkinsons_disease SPECULATIVE 0.0701 0.09090909090909091 methadone Speculative: Review amcinonide off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenacemide mediastinal_cancer SPECULATIVE 0.0701 0.06451612903225806 melphalan Speculative: Review phenacemide off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. phenylbutazone nephrolithiasis SPECULATIVE 0.0701 0.06451612903225806 procaine Speculative: Review phenylbutazone off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. toremifene glaucoma SPECULATIVE 0.0701 0.0625 metaraminol Speculative: Review toremifene off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phenytoin head_and_neck_cancer SPECULATIVE 0.0701 0.04 pantoprazole Speculative: Review phenytoin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlorpromazine refractive_error SPECULATIVE 0.0701 0.030303030303030304 sotalol Speculative: Review chlorpromazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methadone lymphatic_system_cancer SPECULATIVE 0.0701 0.02631578947368421 riboflavin Speculative: Review methadone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. clozapine head_and_neck_cancer SPECULATIVE 0.0701 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clozapine malignant_glioma SPECULATIVE 0.0701 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. estrone malaria SPECULATIVE 0.0701 0.0 ethotoin Speculative: Review estrone off-target effects vs malaria mechanism. Phenotypic screen recommended. gemcitabine glaucoma SPECULATIVE 0.0701 0.0 pirbuterol Speculative: Review gemcitabine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. goserelin pharynx_cancer SPECULATIVE 0.0701 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. levorphanol hepatitis_b SPECULATIVE 0.0701 0.0 mitiglinide Speculative: Review levorphanol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. prochlorperazine head_and_neck_cancer SPECULATIVE 0.0701 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. prochlorperazine malignant_glioma SPECULATIVE 0.0701 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. propiomazine hepatitis_b SPECULATIVE 0.0701 0.0 mitiglinide Speculative: Review propiomazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. progesterone alzheimers_disease SPECULATIVE 0.07 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. progesterone parkinsons_disease SPECULATIVE 0.07 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. amcinonide autistic_disorder SPECULATIVE 0.07 0.09090909090909091 methadone Speculative: Review amcinonide off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. estrone nicotine_dependence SPECULATIVE 0.07 0.08333333333333333 l-tryptophan Speculative: Review estrone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. toremifene malignant_glioma SPECULATIVE 0.07 0.06896551724137931 progesterone Speculative: Review toremifene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenacemide thymus_cancer SPECULATIVE 0.07 0.06451612903225806 melphalan Speculative: Review phenacemide off-target effects vs thymus_cancer mechanism. Phenotypic screen recommended. chlorpromazine germ_cell_cancer SPECULATIVE 0.07 0.041666666666666664 podofilox Speculative: Review chlorpromazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. abacavir asthma SPECULATIVE 0.07 0.0 cinolazepam Speculative: Review abacavir off-target effects vs asthma mechanism. Phenotypic screen recommended. abacavir conduct_disorder SPECULATIVE 0.07 0.0 flurazepam Speculative: Review abacavir off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. abacavir panic_disorder SPECULATIVE 0.07 0.0 flurazepam Speculative: Review abacavir off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. abacavir schizophrenia SPECULATIVE 0.07 0.0 flurazepam Speculative: Review abacavir off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. progesterone autistic_disorder SPECULATIVE 0.0699 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. clofedanol intracranial_aneurysm SPECULATIVE 0.0699 0.06060606060606061 flurandrenolide Speculative: Review clofedanol off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fludrocortisone glaucoma SPECULATIVE 0.0699 0.05555555555555555 pseudoephedrine Speculative: Review fludrocortisone off-target effects vs glaucoma mechanism. Phenotypic screen recommended. phenytoin nephrolithiasis SPECULATIVE 0.0699 0.04 pantoprazole Speculative: Review phenytoin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. abacavir allergic_rhinitis SPECULATIVE 0.0699 0.0 flurazepam Speculative: Review abacavir off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. abacavir atopic_dermatitis SPECULATIVE 0.0699 0.0 cinolazepam Speculative: Review abacavir off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. abacavir hypertension SPECULATIVE 0.0699 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs hypertension mechanism. Phenotypic screen recommended. aceprometazine alopecia_areata SPECULATIVE 0.0699 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. brompheniramine alopecia_areata SPECULATIVE 0.0699 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clozapine nephrolithiasis SPECULATIVE 0.0699 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. goserelin ankylosing_spondylitis SPECULATIVE 0.0699 0.0 flurazepam Speculative: Review goserelin off-target effects vs ankylosing_spondylitis mechanism. Phenotypic screen recommended. paclitaxel refractive_error SPECULATIVE 0.0699 0.0 pirbuterol Speculative: Review paclitaxel off-target effects vs refractive_error mechanism. Phenotypic screen recommended. testolactone epilepsy_syndrome SPECULATIVE 0.0698 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. toremifene nephrolithiasis SPECULATIVE 0.0698 0.06896551724137931 progesterone Speculative: Review toremifene off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. methyldopa prostate_cancer SPECULATIVE 0.0698 0.06666666666666667 fenoprofen Speculative: Review methyldopa off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. phenylbutazone alopecia_areata SPECULATIVE 0.0698 0.041666666666666664 estradiol_valeratedienogest Speculative: Review phenylbutazone off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. abacavir bipolar_disorder SPECULATIVE 0.0698 0.0 flurazepam Speculative: Review abacavir off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. acepromazine larynx_cancer SPECULATIVE 0.0698 0.0 vinblastine Speculative: Review acepromazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clomipramine larynx_cancer SPECULATIVE 0.0698 0.0 vinblastine Speculative: Review clomipramine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. cyclopentolate lymphatic_system_cancer SPECULATIVE 0.0698 0.0 vinblastine Speculative: Review cyclopentolate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. reboxetine lymphatic_system_cancer SPECULATIVE 0.0698 0.0 vinblastine Speculative: Review reboxetine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. progesterone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0697 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. hydrocortisone autistic_disorder SPECULATIVE 0.0697 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. toremifene head_and_neck_cancer SPECULATIVE 0.0697 0.06666666666666667 alclometasone Speculative: Review toremifene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenacemide malignant_glioma SPECULATIVE 0.0697 0.04 vinblastine Speculative: Review phenacemide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. abacavir endogenous_depression SPECULATIVE 0.0697 0.0 flurazepam Speculative: Review abacavir off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. atropine hepatitis_b SPECULATIVE 0.0697 0.0 mitiglinide Speculative: Review atropine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorprothixene hepatitis_b SPECULATIVE 0.0697 0.0 mitiglinide Speculative: Review chlorprothixene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin chronic_obstructive_pulmonary_disease SPECULATIVE 0.0697 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. goserelin epilepsy_syndrome SPECULATIVE 0.0697 0.0 flurazepam Speculative: Review goserelin off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. vindesine glaucoma SPECULATIVE 0.0697 0.0 pirbuterol Speculative: Review vindesine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. progesterone nicotine_dependence SPECULATIVE 0.0696 0.09523809523809523 tropicamide Speculative: Review progesterone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. clocortolone creutzfeldt-jakob_disease SPECULATIVE 0.0696 0.07142857142857142 cinnarizine Speculative: Review clocortolone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. difluprednate creutzfeldt-jakob_disease SPECULATIVE 0.0696 0.07142857142857142 cinnarizine Speculative: Review difluprednate off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. acepromazine salivary_gland_cancer SPECULATIVE 0.0696 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. folic_acid autistic_disorder SPECULATIVE 0.0696 0.06666666666666667 l-arginine Speculative: Review folic_acid off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. folic_acid nicotine_dependence SPECULATIVE 0.0696 0.06666666666666667 l-arginine Speculative: Review folic_acid off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. tetrahydrofolic_acid autistic_disorder SPECULATIVE 0.0696 0.06666666666666667 l-arginine Speculative: Review tetrahydrofolic_acid off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. tetrahydrofolic_acid nicotine_dependence SPECULATIVE 0.0696 0.06666666666666667 l-arginine Speculative: Review tetrahydrofolic_acid off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. methdilazine germ_cell_cancer SPECULATIVE 0.0696 0.047619047619047616 alendronate Speculative: Review methdilazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. promazine refractive_error SPECULATIVE 0.0696 0.047619047619047616 metaraminol Speculative: Review promazine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. phenacemide nephrolithiasis SPECULATIVE 0.0696 0.04 vinblastine Speculative: Review phenacemide off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenytoin malignant_glioma SPECULATIVE 0.0696 0.037037037037037035 vinblastine Speculative: Review phenytoin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. abacavir migraine SPECULATIVE 0.0696 0.0 flurazepam Speculative: Review abacavir off-target effects vs migraine mechanism. Phenotypic screen recommended. phenacemide thyroid_cancer SPECULATIVE 0.0695 0.07142857142857142 liothyronine Speculative: Review phenacemide off-target effects vs thyroid_cancer mechanism. Phenotypic screen recommended. modafinil brain_cancer SPECULATIVE 0.0695 0.05714285714285714 drospirenone Speculative: Review modafinil off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. modafinil intracranial_aneurysm SPECULATIVE 0.0695 0.05714285714285714 drospirenone Speculative: Review modafinil off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. modafinil larynx_cancer SPECULATIVE 0.0695 0.03571428571428571 vinblastine Speculative: Review modafinil off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. fenoprofen lymphatic_system_cancer SPECULATIVE 0.0695 0.0 vinblastine Speculative: Review fenoprofen off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. fosphenytoin head_and_neck_cancer SPECULATIVE 0.0695 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fosphenytoin malignant_glioma SPECULATIVE 0.0695 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. l-tyrosine lymphatic_system_cancer SPECULATIVE 0.0695 0.0 vinblastine Speculative: Review l-tyrosine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. salicylate-sodium lymphatic_system_cancer SPECULATIVE 0.0695 0.0 vinblastine Speculative: Review salicylate-sodium off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. triflupromazine alopecia_areata SPECULATIVE 0.0695 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. progesterone conduct_disorder SPECULATIVE 0.0694 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. hydrocortisone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0694 0.09090909090909091 loperamide Speculative: Review hydrocortisone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. phenacemide lung_cancer SPECULATIVE 0.0694 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs lung_cancer mechanism. Phenotypic screen recommended. phenacemide rectum_cancer SPECULATIVE 0.0694 0.07407407407407407 cyclopentolate Speculative: Review phenacemide off-target effects vs rectum_cancer mechanism. Phenotypic screen recommended. folic_acid attention_deficit_hyperactivity_disorder SPECULATIVE 0.0694 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. tetrahydrofolic_acid attention_deficit_hyperactivity_disorder SPECULATIVE 0.0694 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. mesalazine head_and_neck_cancer SPECULATIVE 0.0694 0.05555555555555555 exemestane Speculative: Review mesalazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenacemide head_and_neck_cancer SPECULATIVE 0.0694 0.038461538461538464 alendronate Speculative: Review phenacemide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenytoin refractive_error SPECULATIVE 0.0694 0.037037037037037035 treprostinil Speculative: Review phenytoin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. progesterone hepatitis_b SPECULATIVE 0.0694 0.020833333333333332 adenosine_triphosphate Speculative: Review progesterone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fosphenytoin nephrolithiasis SPECULATIVE 0.0694 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. fosphenytoin refractive_error SPECULATIVE 0.0694 0.0 pirbuterol Speculative: Review fosphenytoin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. goserelin salivary_gland_cancer SPECULATIVE 0.0694 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. lamivudine focal_segmental_glomerulosclerosis SPECULATIVE 0.0694 0.0 methdilazine Speculative: Review lamivudine off-target effects vs focal_segmental_glomerulosclerosis mechanism. Phenotypic screen recommended. propiomazine larynx_cancer SPECULATIVE 0.0694 0.0 vinblastine Speculative: Review propiomazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. raloxifene larynx_cancer SPECULATIVE 0.0694 0.0 vinblastine Speculative: Review raloxifene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. acepromazine ocular_cancer SPECULATIVE 0.0693 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. folic_acid creutzfeldt-jakob_disease SPECULATIVE 0.0693 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid creutzfeldt-jakob_disease SPECULATIVE 0.0693 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. phenylbutazone brain_cancer SPECULATIVE 0.0693 0.05263157894736842 epirubicin Speculative: Review phenylbutazone off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenylbutazone intracranial_aneurysm SPECULATIVE 0.0693 0.05263157894736842 epirubicin Speculative: Review phenylbutazone off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diphenylpyraline larynx_cancer SPECULATIVE 0.0693 0.037037037037037035 epirubicin Speculative: Review diphenylpyraline off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. abacavir metabolic_syndrome_x SPECULATIVE 0.0693 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. cortisone_acetate hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review cortisone_acetate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. deferasirox membranous_glomerulonephritis SPECULATIVE 0.0693 0.0 methdilazine Speculative: Review deferasirox off-target effects vs membranous_glomerulonephritis mechanism. Phenotypic screen recommended. entecavir idiopathic_pulmonary_fibrosis SPECULATIVE 0.0693 0.0 hydrocortisone Speculative: Review entecavir off-target effects vs idiopathic_pulmonary_fibrosis mechanism. Phenotypic screen recommended. fluorometholone hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review fluorometholone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. flurandrenolide hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review flurandrenolide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. loteprednol hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review loteprednol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. mequitazine hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review mequitazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. prednicarbate hepatitis_b SPECULATIVE 0.0693 0.0 mitiglinide Speculative: Review prednicarbate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. testosterone_propionate lymphatic_system_cancer SPECULATIVE 0.0693 0.0 vinblastine Speculative: Review testosterone_propionate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. progesterone bipolar_disorder SPECULATIVE 0.0692 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. medrysone narcolepsy SPECULATIVE 0.0692 0.06666666666666667 cinnarizine Speculative: Review medrysone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. goserelin ocular_cancer SPECULATIVE 0.0692 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. lamivudine gilles_de_la_tourette_syndrome SPECULATIVE 0.0692 0.0 loxapine Speculative: Review lamivudine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. spironolactone malaria SPECULATIVE 0.0692 0.0 ethotoin Speculative: Review spironolactone off-target effects vs malaria mechanism. Phenotypic screen recommended. progesterone endogenous_depression SPECULATIVE 0.0691 0.0967741935483871 acetylsalicylic_acid Speculative: Review progesterone off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. fludrocortisone narcolepsy SPECULATIVE 0.0691 0.08333333333333333 carbinoxamine Speculative: Review fludrocortisone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. testolactone parkinsons_disease SPECULATIVE 0.0691 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. folic_acid conduct_disorder SPECULATIVE 0.0691 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. tetrahydrofolic_acid conduct_disorder SPECULATIVE 0.0691 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. loperamide glaucoma SPECULATIVE 0.0691 0.05 choline Speculative: Review loperamide off-target effects vs glaucoma mechanism. Phenotypic screen recommended. goserelin alzheimers_disease SPECULATIVE 0.0691 0.0 flurazepam Speculative: Review goserelin off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. goserelin parkinsons_disease SPECULATIVE 0.0691 0.0 cinolazepam Speculative: Review goserelin off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. nortriptyline primary_biliary_cirrhosis SPECULATIVE 0.0691 0.0 hydrocortisone Speculative: Review nortriptyline off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. fluoxymesterone conduct_disorder SPECULATIVE 0.069 0.09090909090909091 floctafenine Speculative: Review fluoxymesterone off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. testolactone autistic_disorder SPECULATIVE 0.069 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. betamethasone autistic_disorder SPECULATIVE 0.069 0.07692307692307693 dextromethorphan Speculative: Review betamethasone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. betamethasone parkinsons_disease SPECULATIVE 0.069 0.07692307692307693 dextromethorphan Speculative: Review betamethasone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. acepromazine peripheral_nervous_system_neoplasm SPECULATIVE 0.069 0.06666666666666667 ifenprodil Speculative: Review acepromazine off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. clofedanol larynx_cancer SPECULATIVE 0.069 0.03333333333333333 podofilox Speculative: Review clofedanol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. aminosalicylic_acid lymphatic_system_cancer SPECULATIVE 0.069 0.0 vinblastine Speculative: Review aminosalicylic_acid off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. atropine larynx_cancer SPECULATIVE 0.069 0.0 vinblastine Speculative: Review atropine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. chlorprothixene larynx_cancer SPECULATIVE 0.069 0.0 vinblastine Speculative: Review chlorprothixene off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. clotrimazole hepatitis_b SPECULATIVE 0.069 0.0 mitiglinide Speculative: Review clotrimazole off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. deferasirox germ_cell_cancer SPECULATIVE 0.069 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. goserelin amyotrophic_lateral_sclerosis SPECULATIVE 0.069 0.0 cinolazepam Speculative: Review goserelin off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. goserelin autistic_disorder SPECULATIVE 0.069 0.0 flurazepam Speculative: Review goserelin off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. goserelin nicotine_dependence SPECULATIVE 0.069 0.0 cinolazepam Speculative: Review goserelin off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. ifenprodil lymphatic_system_cancer SPECULATIVE 0.069 0.0 vinblastine Speculative: Review ifenprodil off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. folic_acid bipolar_disorder SPECULATIVE 0.0689 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. tetrahydrofolic_acid bipolar_disorder SPECULATIVE 0.0689 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. betamethasone narcolepsy SPECULATIVE 0.0689 0.06060606060606061 methadone Speculative: Review betamethasone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. abacavir obesity SPECULATIVE 0.0689 0.0 hydrocortisone Speculative: Review abacavir off-target effects vs obesity mechanism. Phenotypic screen recommended. gemcitabine refractive_error SPECULATIVE 0.0689 0.0 pirbuterol Speculative: Review gemcitabine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. testolactone attention_deficit_hyperactivity_disorder SPECULATIVE 0.0688 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. betamethasone epilepsy_syndrome SPECULATIVE 0.0688 0.07142857142857142 bifonazole Speculative: Review betamethasone off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. folic_acid endogenous_depression SPECULATIVE 0.0688 0.06666666666666667 menadione Speculative: Review folic_acid off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. tetrahydrofolic_acid endogenous_depression SPECULATIVE 0.0688 0.06666666666666667 menadione Speculative: Review tetrahydrofolic_acid off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. toremifene refractive_error SPECULATIVE 0.0688 0.0625 metaraminol Speculative: Review toremifene off-target effects vs refractive_error mechanism. Phenotypic screen recommended. fentanyl refractive_error SPECULATIVE 0.0688 0.05263157894736842 decamethonium Speculative: Review fentanyl off-target effects vs refractive_error mechanism. Phenotypic screen recommended. testolactone refractive_error SPECULATIVE 0.0688 0.047619047619047616 chlorphenesin Speculative: Review testolactone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. entecavir narcolepsy SPECULATIVE 0.0688 0.0 phenylbutazone Speculative: Review entecavir off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. goserelin attention_deficit_hyperactivity_disorder SPECULATIVE 0.0688 0.0 flurazepam Speculative: Review goserelin off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. modafinil malignant_glioma SPECULATIVE 0.0687 0.05714285714285714 drospirenone Speculative: Review modafinil off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. salicylate-sodium prostate_cancer SPECULATIVE 0.0687 0.05405405405405406 fenoprofen Speculative: Review salicylate-sodium off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. acepromazine alopecia_areata SPECULATIVE 0.0687 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. chlorpromazine alopecia_areata SPECULATIVE 0.0687 0.0 hydrocortisone Speculative: Review chlorpromazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clomipramine alopecia_areata SPECULATIVE 0.0687 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. cortisone_acetate larynx_cancer SPECULATIVE 0.0687 0.0 vinblastine Speculative: Review cortisone_acetate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. diphemanil_methylsulfate lymphatic_system_cancer SPECULATIVE 0.0687 0.0 vinblastine Speculative: Review diphemanil_methylsulfate off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. doxepin glaucoma SPECULATIVE 0.0687 0.0 pirbuterol Speculative: Review doxepin off-target effects vs glaucoma mechanism. Phenotypic screen recommended. loteprednol larynx_cancer SPECULATIVE 0.0687 0.0 vinblastine Speculative: Review loteprednol off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. nateglinide alopecia_areata SPECULATIVE 0.0687 0.0 hydrocortisone Speculative: Review nateglinide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. prednicarbate larynx_cancer SPECULATIVE 0.0687 0.0 vinblastine Speculative: Review prednicarbate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. propranolol alopecia_areata SPECULATIVE 0.0687 0.0 hydrocortisone Speculative: Review propranolol off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. clobazam pharynx_cancer SPECULATIVE 0.0686 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. trifluoperazine hepatitis_b SPECULATIVE 0.0686 0.0 mitiglinide Speculative: Review trifluoperazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. testolactone schizophrenia SPECULATIVE 0.0685 0.08333333333333333 methadone Speculative: Review testolactone off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. folic_acid restless_legs_syndrome SPECULATIVE 0.0685 0.07142857142857142 trimethoprim Speculative: Review folic_acid off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. tetrahydrofolic_acid restless_legs_syndrome SPECULATIVE 0.0685 0.07142857142857142 trimethoprim Speculative: Review tetrahydrofolic_acid off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. phenylbutazone head_and_neck_cancer SPECULATIVE 0.0685 0.05263157894736842 epirubicin Speculative: Review phenylbutazone off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. phenylbutazone malignant_glioma SPECULATIVE 0.0685 0.05263157894736842 epirubicin Speculative: Review phenylbutazone off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. phenylbutazone hepatitis_b SPECULATIVE 0.0685 0.021739130434782608 adenosine_triphosphate Speculative: Review phenylbutazone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acetophenazine brain_cancer SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. acetophenazine intracranial_aneurysm SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. alvimopan brain_cancer SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review alvimopan off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. goserelin panic_disorder SPECULATIVE 0.0685 0.0 flurazepam Speculative: Review goserelin off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. goserelin schizophrenia SPECULATIVE 0.0685 0.0 flurazepam Speculative: Review goserelin off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. l-histidine brain_cancer SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. l-histidine intracranial_aneurysm SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. phenylpropanolamine brain_cancer SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review phenylpropanolamine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. phenylpropanolamine intracranial_aneurysm SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review phenylpropanolamine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. triflupromazine esophageal_cancer SPECULATIVE 0.0685 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. methadone larynx_cancer SPECULATIVE 0.0684 0.038461538461538464 epirubicin Speculative: Review methadone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. abacavir restless_legs_syndrome SPECULATIVE 0.0684 0.0 flurazepam Speculative: Review abacavir off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. deferasirox penile_cancer SPECULATIVE 0.0684 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. goserelin asthma SPECULATIVE 0.0684 0.0 cinolazepam Speculative: Review goserelin off-target effects vs asthma mechanism. Phenotypic screen recommended. goserelin atopic_dermatitis SPECULATIVE 0.0684 0.0 cinolazepam Speculative: Review goserelin off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. goserelin conduct_disorder SPECULATIVE 0.0684 0.0 flurazepam Speculative: Review goserelin off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. goserelin hypertension SPECULATIVE 0.0684 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs hypertension mechanism. Phenotypic screen recommended. oxaprozin refractive_error SPECULATIVE 0.0684 0.0 pirbuterol Speculative: Review oxaprozin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. vindesine refractive_error SPECULATIVE 0.0684 0.0 pirbuterol Speculative: Review vindesine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. goserelin allergic_rhinitis SPECULATIVE 0.0683 0.0 flurazepam Speculative: Review goserelin off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. goserelin bipolar_disorder SPECULATIVE 0.0683 0.0 flurazepam Speculative: Review goserelin off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. methdilazine hepatitis_b SPECULATIVE 0.0683 0.0 mitiglinide Speculative: Review methdilazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. propiomazine alopecia_areata SPECULATIVE 0.0683 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fentanyl brain_cancer SPECULATIVE 0.0682 0.043478260869565216 epirubicin Speculative: Review fentanyl off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fentanyl intracranial_aneurysm SPECULATIVE 0.0682 0.043478260869565216 epirubicin Speculative: Review fentanyl off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. chlorcyclizine lymphatic_system_cancer SPECULATIVE 0.0682 0.0 vinblastine Speculative: Review chlorcyclizine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. deferasirox malignant_mesothelioma SPECULATIVE 0.0682 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs malignant_mesothelioma mechanism. Phenotypic screen recommended. goserelin endogenous_depression SPECULATIVE 0.0682 0.0 flurazepam Speculative: Review goserelin off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. goserelin psoriasis SPECULATIVE 0.0682 0.0 loxapine Speculative: Review goserelin off-target effects vs psoriasis mechanism. Phenotypic screen recommended. fludrocortisone refractive_error SPECULATIVE 0.0681 0.05263157894736842 succinylcholine Speculative: Review fludrocortisone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methdilazine primary_biliary_cirrhosis SPECULATIVE 0.0681 0.05263157894736842 atropine Speculative: Review methdilazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. goserelin migraine SPECULATIVE 0.0681 0.0 flurazepam Speculative: Review goserelin off-target effects vs migraine mechanism. Phenotypic screen recommended. goserelin multiple_sclerosis SPECULATIVE 0.0681 0.0 flurazepam Speculative: Review goserelin off-target effects vs multiple_sclerosis mechanism. Phenotypic screen recommended. goserelin osteoporosis SPECULATIVE 0.0681 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs osteoporosis mechanism. Phenotypic screen recommended. lacosamide brain_cancer SPECULATIVE 0.0681 0.0 hydrocortisone Speculative: Review lacosamide off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. lacosamide intracranial_aneurysm SPECULATIVE 0.0681 0.0 hydrocortisone Speculative: Review lacosamide off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. progesterone creutzfeldt-jakob_disease SPECULATIVE 0.068 0.07692307692307693 diethylpropion Speculative: Review progesterone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. folic_acid alzheimers_disease SPECULATIVE 0.068 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. folic_acid parkinsons_disease SPECULATIVE 0.068 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid alzheimers_disease SPECULATIVE 0.068 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. tetrahydrofolic_acid parkinsons_disease SPECULATIVE 0.068 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. clobazam salivary_gland_cancer SPECULATIVE 0.068 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. estrone hepatitis_b SPECULATIVE 0.068 0.0 mitiglinide Speculative: Review estrone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fludrocortisone creutzfeldt-jakob_disease SPECULATIVE 0.0679 0.08333333333333333 carbinoxamine Speculative: Review fludrocortisone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. folic_acid amyotrophic_lateral_sclerosis SPECULATIVE 0.0679 0.058823529411764705 moricizine Speculative: Review folic_acid off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. tetrahydrofolic_acid amyotrophic_lateral_sclerosis SPECULATIVE 0.0679 0.058823529411764705 moricizine Speculative: Review tetrahydrofolic_acid off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. benzatropine alopecia_areata SPECULATIVE 0.0679 0.0 hydrocortisone Speculative: Review benzatropine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. brompheniramine glaucoma SPECULATIVE 0.0679 0.0 pirbuterol Speculative: Review brompheniramine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. clozapine germ_cell_cancer SPECULATIVE 0.0679 0.0 hydrocortisone Speculative: Review clozapine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. prochlorperazine germ_cell_cancer SPECULATIVE 0.0679 0.0 hydrocortisone Speculative: Review prochlorperazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. voacamine glaucoma SPECULATIVE 0.0679 0.0 pirbuterol Speculative: Review voacamine off-target effects vs glaucoma mechanism. Phenotypic screen recommended. fludrocortisone autistic_disorder SPECULATIVE 0.0678 0.09090909090909091 tropicamide Speculative: Review fludrocortisone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. loperamide refractive_error SPECULATIVE 0.0678 0.05 choline Speculative: Review loperamide off-target effects vs refractive_error mechanism. Phenotypic screen recommended. methadone hepatitis_b SPECULATIVE 0.0678 0.029411764705882353 nateglinide Speculative: Review methadone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin systemic_lupus_erythematosus SPECULATIVE 0.0678 0.0 methdilazine Speculative: Review goserelin off-target effects vs systemic_lupus_erythematosus mechanism. Phenotypic screen recommended. triflupromazine type_1_diabetes_mellitus SPECULATIVE 0.0678 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. acepromazine esophageal_cancer SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. acetophenazine head_and_neck_cancer SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. acetophenazine malignant_glioma SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review acetophenazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clobazam ocular_cancer SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. clomipramine esophageal_cancer SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. exemestane lymphatic_system_cancer SPECULATIVE 0.0677 0.0 vinblastine Speculative: Review exemestane off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. goserelin metabolic_syndrome_x SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs metabolic_syndrome_x mechanism. Phenotypic screen recommended. l-histidine head_and_neck_cancer SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. l-histidine malignant_glioma SPECULATIVE 0.0677 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. medrysone lymphatic_system_cancer SPECULATIVE 0.0677 0.0 vinblastine Speculative: Review medrysone off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. mesalazine lymphatic_system_cancer SPECULATIVE 0.0677 0.0 vinblastine Speculative: Review mesalazine off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. diphenylpyraline alopecia_areata SPECULATIVE 0.0676 0.03333333333333333 fluticasone_propionate Speculative: Review diphenylpyraline off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. aceprometazine brain_cancer SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. aceprometazine intracranial_aneurysm SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. brompheniramine brain_cancer SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. brompheniramine intracranial_aneurysm SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. deferasirox meningioma SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs meningioma mechanism. Phenotypic screen recommended. doxepin kidney_cancer SPECULATIVE 0.0676 0.0 oxybuprocaine Speculative: Review doxepin off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. entecavir creutzfeldt-jakob_disease SPECULATIVE 0.0676 0.0 loxapine Speculative: Review entecavir off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. goserelin osteoarthritis SPECULATIVE 0.0676 0.0 flurazepam Speculative: Review goserelin off-target effects vs osteoarthritis mechanism. Phenotypic screen recommended. goserelin skin_cancer SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs skin_cancer mechanism. Phenotypic screen recommended. l-dopa larynx_cancer SPECULATIVE 0.0676 0.0 vinblastine Speculative: Review l-dopa off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mequitazine alopecia_areata SPECULATIVE 0.0676 0.0 hydrocortisone Speculative: Review mequitazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. olsalazine gilles_de_la_tourette_syndrome SPECULATIVE 0.0676 0.0 loxapine Speculative: Review olsalazine off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. toremifene hepatitis_b SPECULATIVE 0.0675 0.022222222222222223 adenosine_triphosphate Speculative: Review toremifene off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. doxepin nephrolithiasis SPECULATIVE 0.0675 0.0 hydrocortisone Speculative: Review doxepin off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. doxepin refractive_error SPECULATIVE 0.0675 0.0 pirbuterol Speculative: Review doxepin off-target effects vs refractive_error mechanism. Phenotypic screen recommended. l-histidine nephrolithiasis SPECULATIVE 0.0675 0.0 hydrocortisone Speculative: Review l-histidine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. modafinil head_and_neck_cancer SPECULATIVE 0.0674 0.04878048780487805 fludrocortisone Speculative: Review modafinil off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fentanyl head_and_neck_cancer SPECULATIVE 0.0674 0.043478260869565216 epirubicin Speculative: Review fentanyl off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. fentanyl malignant_glioma SPECULATIVE 0.0674 0.043478260869565216 epirubicin Speculative: Review fentanyl off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clomipramine nephrolithiasis SPECULATIVE 0.0674 0.014084507042253521 vandetanib Speculative: Review clomipramine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clobazam peripheral_nervous_system_neoplasm SPECULATIVE 0.0674 0.0 hydrocortisone Speculative: Review clobazam off-target effects vs peripheral_nervous_system_neoplasm mechanism. Phenotypic screen recommended. fosphenytoin germ_cell_cancer SPECULATIVE 0.0674 0.0 hydrocortisone Speculative: Review fosphenytoin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. phenytoin germ_cell_cancer SPECULATIVE 0.0673 0.03571428571428571 epirubicin Speculative: Review phenytoin off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. goserelin obesity SPECULATIVE 0.0673 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs obesity mechanism. Phenotypic screen recommended. goserelin systemic_scleroderma SPECULATIVE 0.0672 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs systemic_scleroderma mechanism. Phenotypic screen recommended. lacosamide head_and_neck_cancer SPECULATIVE 0.0672 0.0 hydrocortisone Speculative: Review lacosamide off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. lacosamide malignant_glioma SPECULATIVE 0.0672 0.0 hydrocortisone Speculative: Review lacosamide off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. loperamide lymphatic_system_cancer SPECULATIVE 0.0672 0.0 vinblastine Speculative: Review loperamide off-target effects vs lymphatic_system_cancer mechanism. Phenotypic screen recommended. triflupromazine brain_cancer SPECULATIVE 0.0672 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. triflupromazine intracranial_aneurysm SPECULATIVE 0.0672 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. aminosalicylic_acid prostate_cancer SPECULATIVE 0.0671 0.05263157894736842 fenoprofen Speculative: Review aminosalicylic_acid off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. methyldopa nephrolithiasis SPECULATIVE 0.0671 0.030303030303030304 cinchocaine Speculative: Review methyldopa off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. clofedanol hepatitis_b SPECULATIVE 0.0671 0.017241379310344827 adenosine_triphosphate Speculative: Review clofedanol off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorprothixene nephrolithiasis SPECULATIVE 0.0671 0.014492753623188406 vandetanib Speculative: Review chlorprothixene off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. phenacemide penile_cancer SPECULATIVE 0.067 0.04 vinblastine Speculative: Review phenacemide off-target effects vs penile_cancer mechanism. Phenotypic screen recommended. acepromazine type_1_diabetes_mellitus SPECULATIVE 0.067 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs type_1_diabetes_mellitus mechanism. Phenotypic screen recommended. chlorprothixene esophageal_cancer SPECULATIVE 0.067 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. cyclopentolate hepatitis_b SPECULATIVE 0.067 0.0 mitiglinide Speculative: Review cyclopentolate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. entecavir chronic_obstructive_pulmonary_disease SPECULATIVE 0.067 0.0 hydrocortisone Speculative: Review entecavir off-target effects vs chronic_obstructive_pulmonary_disease mechanism. Phenotypic screen recommended. entecavir epilepsy_syndrome SPECULATIVE 0.067 0.0 flurazepam Speculative: Review entecavir off-target effects vs epilepsy_syndrome mechanism. Phenotypic screen recommended. mesalazine malaria SPECULATIVE 0.067 0.0 ethotoin Speculative: Review mesalazine off-target effects vs malaria mechanism. Phenotypic screen recommended. reboxetine hepatitis_b SPECULATIVE 0.067 0.0 mitiglinide Speculative: Review reboxetine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. diphenylpyraline hepatitis_b SPECULATIVE 0.0669 0.018518518518518517 adenosine_triphosphate Speculative: Review diphenylpyraline off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. alimemazine alopecia_areata SPECULATIVE 0.0669 0.0 hydrocortisone Speculative: Review alimemazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. deferasirox prostate_cancer SPECULATIVE 0.0669 0.0 phenylbutazone Speculative: Review deferasirox off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. promethazine alopecia_areata SPECULATIVE 0.0669 0.0 hydrocortisone Speculative: Review promethazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. trifluoperazine alopecia_areata SPECULATIVE 0.0669 0.0 hydrocortisone Speculative: Review trifluoperazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. aceprometazine head_and_neck_cancer SPECULATIVE 0.0668 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. aceprometazine malignant_glioma SPECULATIVE 0.0668 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. brompheniramine head_and_neck_cancer SPECULATIVE 0.0668 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. brompheniramine malignant_glioma SPECULATIVE 0.0668 0.0 hydrocortisone Speculative: Review brompheniramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. dimetacrine hepatitis_b SPECULATIVE 0.0668 0.0 mitiglinide Speculative: Review dimetacrine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. goserelin restless_legs_syndrome SPECULATIVE 0.0668 0.0 flurazepam Speculative: Review goserelin off-target effects vs restless_legs_syndrome mechanism. Phenotypic screen recommended. chlorcyclizine refractive_error SPECULATIVE 0.0667 0.037037037037037035 metaraminol Speculative: Review chlorcyclizine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. aceprometazine kidney_cancer SPECULATIVE 0.0667 0.0 oxybuprocaine Speculative: Review aceprometazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. deferasirox mediastinal_cancer SPECULATIVE 0.0667 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs mediastinal_cancer mechanism. Phenotypic screen recommended. goserelin vitiligo SPECULATIVE 0.0667 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs vitiligo mechanism. Phenotypic screen recommended. fludrocortisone parkinsons_disease SPECULATIVE 0.0666 0.08333333333333333 carbinoxamine Speculative: Review fludrocortisone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. phenytoin primary_biliary_cirrhosis SPECULATIVE 0.0666 0.046511627906976744 bezafibrate Speculative: Review phenytoin off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. aceprometazine nephrolithiasis SPECULATIVE 0.0666 0.0 hydrocortisone Speculative: Review aceprometazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. brompheniramine refractive_error SPECULATIVE 0.0666 0.0 pirbuterol Speculative: Review brompheniramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. mequitazine esophageal_cancer SPECULATIVE 0.0666 0.0 hydrocortisone Speculative: Review mequitazine off-target effects vs esophageal_cancer mechanism. Phenotypic screen recommended. voacamine refractive_error SPECULATIVE 0.0666 0.0 pirbuterol Speculative: Review voacamine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. goserelin rheumatoid_arthritis SPECULATIVE 0.0665 0.0 flurazepam Speculative: Review goserelin off-target effects vs rheumatoid_arthritis mechanism. Phenotypic screen recommended. hydrocortisone hepatitis_b SPECULATIVE 0.0665 0.0 mitiglinide Speculative: Review hydrocortisone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. methdilazine alopecia_areata SPECULATIVE 0.0665 0.0 hydrocortisone Speculative: Review methdilazine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. testosterone_propionate hepatitis_b SPECULATIVE 0.0665 0.0 mitiglinide Speculative: Review testosterone_propionate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acepromazine brain_cancer SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. acepromazine intracranial_aneurysm SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. clomipramine brain_cancer SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. clomipramine intracranial_aneurysm SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. cyclopentolate larynx_cancer SPECULATIVE 0.0664 0.0 vinblastine Speculative: Review cyclopentolate off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. deferasirox hematologic_cancer SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs hematologic_cancer mechanism. Phenotypic screen recommended. deferasirox narcolepsy SPECULATIVE 0.0664 0.0 phenylbutazone Speculative: Review deferasirox off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. reboxetine larynx_cancer SPECULATIVE 0.0664 0.0 vinblastine Speculative: Review reboxetine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. triflupromazine head_and_neck_cancer SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. triflupromazine malignant_glioma SPECULATIVE 0.0664 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. entecavir alzheimers_disease SPECULATIVE 0.0663 0.0 flurazepam Speculative: Review entecavir off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. entecavir parkinsons_disease SPECULATIVE 0.0663 0.0 cinolazepam Speculative: Review entecavir off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. goserelin psoriatic_arthritis SPECULATIVE 0.0663 0.0 hydrocortisone Speculative: Review goserelin off-target effects vs psoriatic_arthritis mechanism. Phenotypic screen recommended. triflupromazine kidney_cancer SPECULATIVE 0.0663 0.0 oxybuprocaine Speculative: Review triflupromazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. phenacemide meningioma SPECULATIVE 0.0662 0.04 vinblastine Speculative: Review phenacemide off-target effects vs meningioma mechanism. Phenotypic screen recommended. chlorpromazine primary_biliary_cirrhosis SPECULATIVE 0.0662 0.03225806451612903 melphalan Speculative: Review chlorpromazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. entecavir amyotrophic_lateral_sclerosis SPECULATIVE 0.0662 0.0 cinolazepam Speculative: Review entecavir off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. entecavir autistic_disorder SPECULATIVE 0.0662 0.0 flurazepam Speculative: Review entecavir off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. entecavir nicotine_dependence SPECULATIVE 0.0662 0.0 cinolazepam Speculative: Review entecavir off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. ifenprodil hepatitis_b SPECULATIVE 0.0662 0.0 mitiglinide Speculative: Review ifenprodil off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. pheniramine alopecia_areata SPECULATIVE 0.0662 0.0 hydrocortisone Speculative: Review pheniramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. triflupromazine nephrolithiasis SPECULATIVE 0.0662 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. entecavir attention_deficit_hyperactivity_disorder SPECULATIVE 0.066 0.0 flurazepam Speculative: Review entecavir off-target effects vs attention_deficit_hyperactivity_disorder mechanism. Phenotypic screen recommended. propiomazine brain_cancer SPECULATIVE 0.066 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. propiomazine intracranial_aneurysm SPECULATIVE 0.066 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. diphenylpyraline refractive_error SPECULATIVE 0.0659 0.043478260869565216 decamethonium Speculative: Review diphenylpyraline off-target effects vs refractive_error mechanism. Phenotypic screen recommended. diphenylpyraline brain_cancer SPECULATIVE 0.0659 0.037037037037037035 epirubicin Speculative: Review diphenylpyraline off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. diphenylpyraline intracranial_aneurysm SPECULATIVE 0.0659 0.037037037037037035 epirubicin Speculative: Review diphenylpyraline off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. carbinoxamine refractive_error SPECULATIVE 0.0658 0.0 pirbuterol Speculative: Review carbinoxamine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. chlorprothixene intracranial_aneurysm SPECULATIVE 0.0657 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. entecavir asthma SPECULATIVE 0.0657 0.0 cinolazepam Speculative: Review entecavir off-target effects vs asthma mechanism. Phenotypic screen recommended. entecavir conduct_disorder SPECULATIVE 0.0657 0.0 flurazepam Speculative: Review entecavir off-target effects vs conduct_disorder mechanism. Phenotypic screen recommended. entecavir panic_disorder SPECULATIVE 0.0657 0.0 flurazepam Speculative: Review entecavir off-target effects vs panic_disorder mechanism. Phenotypic screen recommended. entecavir schizophrenia SPECULATIVE 0.0657 0.0 flurazepam Speculative: Review entecavir off-target effects vs schizophrenia mechanism. Phenotypic screen recommended. acepromazine head_and_neck_cancer SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. acepromazine malignant_glioma SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. beclomethasone hepatitis_b SPECULATIVE 0.0656 0.0 mitiglinide Speculative: Review beclomethasone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clomipramine head_and_neck_cancer SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. clomipramine malignant_glioma SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. entecavir allergic_rhinitis SPECULATIVE 0.0656 0.0 flurazepam Speculative: Review entecavir off-target effects vs allergic_rhinitis mechanism. Phenotypic screen recommended. entecavir atopic_dermatitis SPECULATIVE 0.0656 0.0 cinolazepam Speculative: Review entecavir off-target effects vs atopic_dermatitis mechanism. Phenotypic screen recommended. entecavir hypertension SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review entecavir off-target effects vs hypertension mechanism. Phenotypic screen recommended. fluoxymesterone hepatitis_b SPECULATIVE 0.0656 0.0 mitiglinide Speculative: Review fluoxymesterone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. trimipramine alopecia_areata SPECULATIVE 0.0656 0.0 hydrocortisone Speculative: Review trimipramine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. acepromazine kidney_cancer SPECULATIVE 0.0655 0.0 oxybuprocaine Speculative: Review acepromazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. entecavir bipolar_disorder SPECULATIVE 0.0655 0.0 flurazepam Speculative: Review entecavir off-target effects vs bipolar_disorder mechanism. Phenotypic screen recommended. ifenprodil larynx_cancer SPECULATIVE 0.0655 0.0 vinblastine Speculative: Review ifenprodil off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. acepromazine nephrolithiasis SPECULATIVE 0.0654 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. chlorcyclizine hepatitis_b SPECULATIVE 0.0654 0.0 mitiglinide Speculative: Review chlorcyclizine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. clomipramine refractive_error SPECULATIVE 0.0654 0.0 pirbuterol Speculative: Review clomipramine off-target effects vs refractive_error mechanism. Phenotypic screen recommended. entecavir endogenous_depression SPECULATIVE 0.0654 0.0 flurazepam Speculative: Review entecavir off-target effects vs endogenous_depression mechanism. Phenotypic screen recommended. isopropamide alopecia_areata SPECULATIVE 0.0653 0.0 hydrocortisone Speculative: Review isopropamide off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. reboxetine alopecia_areata SPECULATIVE 0.0653 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. mesalazine prostate_cancer SPECULATIVE 0.0652 0.05555555555555555 exemestane Speculative: Review mesalazine off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. droxidopa prostate_cancer SPECULATIVE 0.0652 0.041666666666666664 exemestane Speculative: Review droxidopa off-target effects vs prostate_cancer mechanism. Phenotypic screen recommended. deferasirox creutzfeldt-jakob_disease SPECULATIVE 0.0652 0.0 loxapine Speculative: Review deferasirox off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. propiomazine head_and_neck_cancer SPECULATIVE 0.0652 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. propiomazine malignant_glioma SPECULATIVE 0.0652 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. diphenylpyraline head_and_neck_cancer SPECULATIVE 0.0651 0.037037037037037035 epirubicin Speculative: Review diphenylpyraline off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. diphenylpyraline malignant_glioma SPECULATIVE 0.0651 0.037037037037037035 epirubicin Speculative: Review diphenylpyraline off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. clocortolone hepatitis_b SPECULATIVE 0.0651 0.0 mitiglinide Speculative: Review clocortolone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. difluprednate hepatitis_b SPECULATIVE 0.0651 0.0 mitiglinide Speculative: Review difluprednate off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. propiomazine kidney_cancer SPECULATIVE 0.0651 0.0 oxybuprocaine Speculative: Review propiomazine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. propiomazine nephrolithiasis SPECULATIVE 0.065 0.0 hydrocortisone Speculative: Review propiomazine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. salicylate-sodium alopecia_areata SPECULATIVE 0.065 0.0 hydrocortisone Speculative: Review salicylate-sodium off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. fluoxymesterone narcolepsy SPECULATIVE 0.0649 0.05 cinnarizine Speculative: Review fluoxymesterone off-target effects vs narcolepsy mechanism. Phenotypic screen recommended. deferasirox pharynx_cancer SPECULATIVE 0.0649 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs pharynx_cancer mechanism. Phenotypic screen recommended. exemestane hepatitis_b SPECULATIVE 0.0649 0.0 mitiglinide Speculative: Review exemestane off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. medrysone hepatitis_b SPECULATIVE 0.0649 0.0 mitiglinide Speculative: Review medrysone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. mesalazine hepatitis_b SPECULATIVE 0.0649 0.0 mitiglinide Speculative: Review mesalazine off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. chlorprothixene head_and_neck_cancer SPECULATIVE 0.0648 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. chlorprothixene malignant_glioma SPECULATIVE 0.0648 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. chlorprothixene primary_biliary_cirrhosis SPECULATIVE 0.0647 0.02564102564102564 bezafibrate Speculative: Review chlorprothixene off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. clomipramine primary_biliary_cirrhosis SPECULATIVE 0.0647 0.024390243902439025 bezafibrate Speculative: Review clomipramine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. methyldopa alopecia_areata SPECULATIVE 0.0647 0.0 hydrocortisone Speculative: Review methyldopa off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. aminosalicylic_acid alopecia_areata SPECULATIVE 0.0644 0.0 hydrocortisone Speculative: Review aminosalicylic_acid off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. ifenprodil alopecia_areata SPECULATIVE 0.0644 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. loperamide hepatitis_b SPECULATIVE 0.0644 0.0 mitiglinide Speculative: Review loperamide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. rimexolone hepatitis_b SPECULATIVE 0.0644 0.0 mitiglinide Speculative: Review rimexolone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. methadone refractive_error SPECULATIVE 0.0643 0.04 treprostinil Speculative: Review methadone off-target effects vs refractive_error mechanism. Phenotypic screen recommended. deferasirox salivary_gland_cancer SPECULATIVE 0.0643 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs salivary_gland_cancer mechanism. Phenotypic screen recommended. loteprednol refractive_error SPECULATIVE 0.0643 0.0 pirbuterol Speculative: Review loteprednol off-target effects vs refractive_error mechanism. Phenotypic screen recommended. triflupromazine germ_cell_cancer SPECULATIVE 0.0643 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. fluoxymesterone creutzfeldt-jakob_disease SPECULATIVE 0.0642 0.05263157894736842 raloxifene Speculative: Review fluoxymesterone off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. amcinonide hepatitis_b SPECULATIVE 0.0642 0.0 mitiglinide Speculative: Review amcinonide off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. deferasirox muscle_cancer SPECULATIVE 0.0642 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs muscle_cancer mechanism. Phenotypic screen recommended. medrysone larynx_cancer SPECULATIVE 0.0642 0.0 vinblastine Speculative: Review medrysone off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. mesalazine larynx_cancer SPECULATIVE 0.0642 0.0 vinblastine Speculative: Review mesalazine off-target effects vs larynx_cancer mechanism. Phenotypic screen recommended. paclitaxel creutzfeldt-jakob_disease SPECULATIVE 0.0642 0.0 loxapine Speculative: Review paclitaxel off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. testolactone hepatitis_b SPECULATIVE 0.0642 0.0 mitiglinide Speculative: Review testolactone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. fluoxymesterone alzheimers_disease SPECULATIVE 0.064 0.058823529411764705 bifonazole Speculative: Review fluoxymesterone off-target effects vs alzheimers_disease mechanism. Phenotypic screen recommended. deferasirox ocular_cancer SPECULATIVE 0.064 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs ocular_cancer mechanism. Phenotypic screen recommended. fluoxymesterone autistic_disorder SPECULATIVE 0.0639 0.058823529411764705 bifonazole Speculative: Review fluoxymesterone off-target effects vs autistic_disorder mechanism. Phenotypic screen recommended. deferasirox nicotine_dependence SPECULATIVE 0.0639 0.0 cinolazepam Speculative: Review deferasirox off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. folic_acid glaucoma SPECULATIVE 0.0639 0.0 pirbuterol Speculative: Review folic_acid off-target effects vs glaucoma mechanism. Phenotypic screen recommended. deferasirox amyotrophic_lateral_sclerosis SPECULATIVE 0.0638 0.0 cinolazepam Speculative: Review deferasirox off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. deferasirox urinary_bladder_cancer SPECULATIVE 0.0637 0.0 hydrocortisone Speculative: Review deferasirox off-target effects vs urinary_bladder_cancer mechanism. Phenotypic screen recommended. fludrocortisone hepatitis_b SPECULATIVE 0.0637 0.0 mitiglinide Speculative: Review fludrocortisone off-target effects vs hepatitis_b mechanism. Phenotypic screen recommended. acepromazine germ_cell_cancer SPECULATIVE 0.0635 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. clomipramine germ_cell_cancer SPECULATIVE 0.0635 0.0 hydrocortisone Speculative: Review clomipramine off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. salicylate-sodium gilles_de_la_tourette_syndrome SPECULATIVE 0.0635 0.0 loxapine Speculative: Review salicylate-sodium off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. gemcitabine creutzfeldt-jakob_disease SPECULATIVE 0.0632 0.0 loxapine Speculative: Review gemcitabine off-target effects vs creutzfeldt-jakob_disease mechanism. Phenotypic screen recommended. fentanyl alopecia_areata SPECULATIVE 0.0631 0.0 hydrocortisone Speculative: Review fentanyl off-target effects vs alopecia_areata mechanism. Phenotypic screen recommended. reboxetine brain_cancer SPECULATIVE 0.063 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. reboxetine intracranial_aneurysm SPECULATIVE 0.063 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. fluoxymesterone parkinsons_disease SPECULATIVE 0.0629 0.05263157894736842 raloxifene Speculative: Review fluoxymesterone off-target effects vs parkinsons_disease mechanism. Phenotypic screen recommended. droxidopa gilles_de_la_tourette_syndrome SPECULATIVE 0.0629 0.0 loxapine Speculative: Review droxidopa off-target effects vs gilles_de_la_tourette_syndrome mechanism. Phenotypic screen recommended. chlorprothixene germ_cell_cancer SPECULATIVE 0.0627 0.0 hydrocortisone Speculative: Review chlorprothixene off-target effects vs germ_cell_cancer mechanism. Phenotypic screen recommended. salicylate-sodium brain_cancer SPECULATIVE 0.0627 0.0 hydrocortisone Speculative: Review salicylate-sodium off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. methyldopa brain_cancer SPECULATIVE 0.0625 0.0 hydrocortisone Speculative: Review methyldopa off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. fluoxymesterone nicotine_dependence SPECULATIVE 0.0623 0.05 cinnarizine Speculative: Review fluoxymesterone off-target effects vs nicotine_dependence mechanism. Phenotypic screen recommended. aminosalicylic_acid brain_cancer SPECULATIVE 0.0622 0.0 hydrocortisone Speculative: Review aminosalicylic_acid off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ifenprodil brain_cancer SPECULATIVE 0.0622 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs brain_cancer mechanism. Phenotypic screen recommended. ifenprodil intracranial_aneurysm SPECULATIVE 0.0622 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs intracranial_aneurysm mechanism. Phenotypic screen recommended. reboxetine head_and_neck_cancer SPECULATIVE 0.0622 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. reboxetine malignant_glioma SPECULATIVE 0.0622 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. reboxetine kidney_cancer SPECULATIVE 0.0621 0.0 oxybuprocaine Speculative: Review reboxetine off-target effects vs kidney_cancer mechanism. Phenotypic screen recommended. reboxetine nephrolithiasis SPECULATIVE 0.062 0.0 hydrocortisone Speculative: Review reboxetine off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. triflupromazine primary_biliary_cirrhosis SPECULATIVE 0.0619 0.0 hydrocortisone Speculative: Review triflupromazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. gemcitabine amyotrophic_lateral_sclerosis SPECULATIVE 0.0618 0.0 cinolazepam Speculative: Review gemcitabine off-target effects vs amyotrophic_lateral_sclerosis mechanism. Phenotypic screen recommended. salicylate-sodium nephrolithiasis SPECULATIVE 0.0617 0.0 hydrocortisone Speculative: Review salicylate-sodium off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended. ifenprodil head_and_neck_cancer SPECULATIVE 0.0613 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs head_and_neck_cancer mechanism. Phenotypic screen recommended. ifenprodil malignant_glioma SPECULATIVE 0.0613 0.0 hydrocortisone Speculative: Review ifenprodil off-target effects vs malignant_glioma mechanism. Phenotypic screen recommended. acepromazine primary_biliary_cirrhosis SPECULATIVE 0.0611 0.0 hydrocortisone Speculative: Review acepromazine off-target effects vs primary_biliary_cirrhosis mechanism. Phenotypic screen recommended. aminosalicylic_acid nephrolithiasis SPECULATIVE 0.0611 0.0 hydrocortisone Speculative: Review aminosalicylic_acid off-target effects vs nephrolithiasis mechanism. Phenotypic screen recommended.